#------------------------------------------------------------------------------
#$Date: 2021-09-06 13:53:30 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268708 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/76/7707620.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7707620
loop_
_publ_author_name
'Horii, Yoji'
'Damjanović, Marko'
'Katoh, Keiichi'
'Yamashita, Masahiro'
_publ_section_title
;
 Structural, magnetic and theoretical analyses of anionic and cationic
 phthalocyaninato-terbium(III) double-decker complexes: magnetic
 relaxation via higher ligand-field sublevels enhanced by
 oxidation.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9719
_journal_page_last               9724
_journal_paper_doi               10.1039/d1dt00775k
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C146 H200 N17 O17 S Tb'
_chemical_formula_weight         2656.20
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-05-24 deposited with the CCDC.	2021-06-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.336(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   20.1606(4)
_cell_length_b                   30.2161(6)
_cell_length_c                   23.2154(16)
_cell_measurement_reflns_used    222609
_cell_measurement_temperature    120
_cell_measurement_theta_max      55.07
_cell_measurement_theta_min      6.03
_cell_volume                     13815.7(11)
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      120
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'RAPID 191R/FR-E'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1428
_diffrn_reflns_av_unetI/netI     0.0973
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_number            31630
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.485
_diffrn_reflns_theta_min         3.013
_exptl_absorpt_coefficient_mu    0.597
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7416
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.277
_exptl_crystal_description       block
_exptl_crystal_F_000             5648
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         4.959
_refine_diff_density_min         -1.639
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1660
_refine_ls_number_reflns         31630
_refine_ls_number_restraints     32
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.1353
_refine_ls_R_factor_gt           0.0829
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0887P)²+37.6262P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1877
_refine_ls_wR_factor_ref         0.2092
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20960
_reflns_number_total             31630
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt00775k2.cif
_cod_data_source_block           2c-1
_cod_depositor_comments
'Adding full bibliography for 7707620--7707622.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7707620
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.27238(2) 0.74877(2) 0.31533(2) 0.01815(8) Uani 1 1 d . . . . .
S1 S 0.18178(11) 0.95387(7) 0.56408(9) 0.0556(5) Uani 1 1 d . . . . .
O1 O 0.50076(19) 0.94501(13) 0.22073(19) 0.0300(9) Uani 1 1 d . . . . .
N1 N 0.1951(2) 0.73466(15) 0.38175(19) 0.0193(9) Uani 1 1 d . . . . .
O2 O 0.00751(19) 0.54847(13) 0.2691(2) 0.0307(10) Uani 1 1 d . . . . .
O3 O -0.05881(19) 0.90254(13) 0.15687(19) 0.0304(10) Uani 1 1 d . . . . .
O4 O -0.12060(19) 0.83109(13) 0.1764(2) 0.0335(10) Uani 1 1 d . . . . .
N2 N 0.3827(2) 0.76588(15) 0.3763(2) 0.0215(10) Uani 1 1 d . . . . .
N3 N 0.1504(2) 0.80766(15) 0.3931(2) 0.0207(10) Uani 1 1 d . . . . .
O5 O 0.3284(2) 0.49136(12) 0.41654(19) 0.0292(9) Uani 1 1 d . . . . .
N4 N 0.2941(2) 0.63878(15) 0.2438(2) 0.0230(10) Uani 1 1 d . . . . .
N5 N 0.3041(2) 0.80303(14) 0.24815(19) 0.0185(9) Uani 1 1 d . . . . .
N6 N 0.3755(2) 0.84635(14) 0.37829(19) 0.0200(10) Uani 1 1 d . . . . .
O6 O 0.45003(19) 0.51107(12) 0.42399(18) 0.0269(9) Uani 1 1 d . . . . .
O7 O 0.5159(2) 0.58491(13) 0.1590(2) 0.0329(10) Uani 1 1 d . . . . .
N7 N 0.2095(2) 0.85486(14) 0.23577(19) 0.0196(10) Uani 1 1 d . . . . .
O8 O 0.2623(2) 1.00861(13) 0.4183(2) 0.0363(11) Uani 1 1 d . . . . .
N8 N 0.2652(2) 0.81433(14) 0.37624(19) 0.0208(10) Uani 1 1 d . . . . .
N9 N 0.2070(2) 0.69150(14) 0.2561(2) 0.0206(10) Uani 1 1 d . . . . .
N10 N 0.4343(2) 0.69251(15) 0.3846(2) 0.0208(10) Uani 1 1 d . . . . .
O9 O -0.0544(2) 0.64613(13) 0.4214(2) 0.0351(10) Uani 1 1 d . . . . .
O10 O 0.5815(2) 0.65759(14) 0.1590(2) 0.0408(11) Uani 1 1 d . . . . .
N11 N 0.1709(2) 0.78113(14) 0.25472(19) 0.0198(9) Uani 1 1 d . . . . .
O11 O 0.1125(2) 0.50460(13) 0.2566(2) 0.0338(10) Uani 1 1 d . . . . .
O12 O -0.0794(2) 0.73125(15) 0.4387(2) 0.0433(12) Uani 1 1 d . . . . .
N12 N 0.3132(2) 0.68675(15) 0.38007(19) 0.0206(10) Uani 1 1 d . . . . .
N13 N 0.2059(2) 0.65429(14) 0.3907(2) 0.0207(10) Uani 1 1 d . . . . .
O13 O 0.1436(2) 0.98561(13) 0.42621(19) 0.0309(10) Uani 1 1 d . . . . .
O14 O 0.3922(2) 0.98925(13) 0.2199(2) 0.0447(13) Uani 1 1 d . . . . .
O15 O 0.6701(2) 0.77181(15) 0.3518(2) 0.0460(13) Uani 1 1 d . . . . .
N14 N 0.4137(2) 0.77480(14) 0.2381(2) 0.0200(10) Uani 1 1 d . . . . .
N15 N 0.0934(2) 0.71924(15) 0.2514(2) 0.0230(10) Uani 1 1 d . . . . .
N16 N 0.3409(2) 0.71352(15) 0.25252(19) 0.0209(10) Uani 1 1 d . . . . .
O16 O 0.6361(2) 0.85704(16) 0.3546(2) 0.0469(13) Uani 1 1 d . . . . .
C1 C 0.1475(3) 0.76385(18) 0.3915(2) 0.0209(11) Uani 1 1 d . . . . .
C2 C 0.4360(3) 0.73654(18) 0.3790(2) 0.0221(12) Uani 1 1 d . . . . .
N17 N 0.3065(3) 0.76556(17) 0.0607(2) 0.0322(12) Uani 1 1 d . . . . .
C3 C 0.3858(3) 0.85366(18) 0.2358(2) 0.0205(11) Uani 1 1 d . . . . .
C4 C 0.1400(3) 0.68731(17) 0.2556(2) 0.0210(11) Uani 1 1 d . . . . .
C5 C 0.2053(3) 0.82977(17) 0.3868(2) 0.0224(12) Uani 1 1 d . . . . .
C6 C 0.2106(3) 0.87799(18) 0.3950(2) 0.0222(12) Uani 1 1 d . . . . .
C7 C 0.1040(3) 0.69547(18) 0.4008(2) 0.0232(12) Uani 1 1 d . . . . .
C8 C 0.1623(3) 0.82512(18) 0.2388(2) 0.0209(11) Uani 1 1 d . . . . .
C9 C 0.1214(3) 0.64015(18) 0.2558(2) 0.0227(12) Uani 1 1 d . . . . .
C10 C 0.2711(3) 0.65216(18) 0.3882(2) 0.0228(12) Uani 1 1 d . . . . .
C11 C 0.4972(3) 0.76095(18) 0.3766(3) 0.0252(12) Uani 1 1 d . . . . .
C12 C 0.3099(3) 0.61125(18) 0.3961(2) 0.0213(11) Uani 1 1 d . . . . .
C13 C 0.4086(3) 0.80782(18) 0.3768(2) 0.0205(11) Uani 1 1 d . . . . .
C14 C 0.1724(3) 0.69258(17) 0.3895(2) 0.0195(11) Uani 1 1 d . . . . .
C15 C 0.3262(3) 0.87688(18) 0.2340(2) 0.0220(12) Uani 1 1 d . . . . .
C16 C 0.3699(3) 0.80725(17) 0.2427(2) 0.0189(11) Uani 1 1 d . . . . .
C17 C 0.0559(3) 0.66347(19) 0.4076(3) 0.0269(13) Uani 1 1 d . . . . .
H17 H 0.064814 0.633516 0.403982 0.032 Uiso 1 1 calc R U . . .
C18 C 0.3418(3) 0.66896(18) 0.2408(2) 0.0228(12) Uani 1 1 d . . . . .
C19 C 0.1794(3) 0.61692(19) 0.2521(2) 0.0241(12) Uani 1 1 d . . . . .
C20 C 0.4035(3) 0.65809(18) 0.2216(2) 0.0223(12) Uani 1 1 d . . . . .
C21 C 0.3767(3) 0.62222(18) 0.3968(2) 0.0207(11) Uani 1 1 d . . . . .
C22 C 0.4800(3) 0.80561(18) 0.3762(2) 0.0230(12) Uani 1 1 d . . . . .
C23 C 0.3100(3) 0.84840(17) 0.3802(2) 0.0205(11) Uani 1 1 d . . . . .
C24 C 0.0889(3) 0.83428(18) 0.2215(2) 0.0219(12) Uani 1 1 d . . . . .
C25 C 0.2751(3) 0.84483(17) 0.2405(2) 0.0210(11) Uani 1 1 d . . . . .
C26 C 0.3778(3) 0.67030(18) 0.3865(2) 0.0208(11) Uani 1 1 d . . . . .
C27 C -0.0041(3) 0.6771(2) 0.4195(3) 0.0307(14) Uani 1 1 d . . . . .
C28 C 0.4460(3) 0.92009(19) 0.2262(3) 0.0251(12) Uani 1 1 d . . . . .
C29 C 0.0884(3) 0.73981(18) 0.4034(3) 0.0244(12) Uani 1 1 d . . . . .
C30 C 0.4385(3) 0.69773(19) 0.2197(3) 0.0258(12) Uani 1 1 d . . . . .
C31 C 0.2322(3) 0.64946(18) 0.2513(2) 0.0220(12) Uani 1 1 d . . . . .
C32 C 0.3970(3) 0.73246(19) 0.2391(2) 0.0218(12) Uani 1 1 d . . . . .
C33 C 0.1088(3) 0.76213(18) 0.2466(2) 0.0205(11) Uani 1 1 d . . . . .
C34 C 0.4465(3) 0.87434(18) 0.2318(2) 0.0230(12) Uani 1 1 d . . . . .
H34 H 0.485879 0.858081 0.232797 0.028 Uiso 1 1 calc R U . . .
C35 C 0.2757(3) 0.88971(18) 0.3905(2) 0.0218(11) Uani 1 1 d . . . . .
C36 C 0.2366(3) 0.83347(19) 0.0779(3) 0.0282(13) Uani 1 1 d . . . . .
H36 H 0.276006 0.851671 0.093414 0.034 Uiso 1 1 calc R U . . .
H36A H 0.223963 0.818080 0.110611 0.034 Uiso 1 1 calc R U . . .
C37 C 0.4982(3) 0.70018(19) 0.1992(3) 0.0293(13) Uani 1 1 d . . . . .
H37 H 0.521024 0.726845 0.198473 0.035 Uiso 1 1 calc R U . . .
C38 C 0.1638(3) 0.90808(18) 0.4075(3) 0.0247(12) Uani 1 1 d . . . . .
H38 H 0.120643 0.899212 0.410952 0.030 Uiso 1 1 calc R U . . .
C39 C -0.0139(3) 0.79192(18) 0.2126(3) 0.0263(12) Uani 1 1 d . . . . .
H39 H -0.035684 0.765484 0.217529 0.032 Uiso 1 1 calc R U . . .
C40 C 0.4268(3) 0.58971(18) 0.4057(2) 0.0221(11) Uani 1 1 d . . . . .
H40 H 0.471851 0.596842 0.406309 0.027 Uiso 1 1 calc R U . . .
C41 C 0.0528(3) 0.87189(18) 0.1987(2) 0.0225(12) Uani 1 1 d . . . . .
H41 H 0.075146 0.898260 0.194661 0.027 Uiso 1 1 calc R U . . .
C42 C 0.0558(3) 0.79490(17) 0.2271(2) 0.0224(12) Uani 1 1 d . . . . .
C43 C -0.0168(3) 0.86907(18) 0.1824(3) 0.0268(13) Uani 1 1 d . . . . .
C44 C 0.0620(3) 0.57403(19) 0.2625(3) 0.0255(12) Uani 1 1 d . . . . .
C45 C 0.0280(3) 0.75451(19) 0.4159(3) 0.0312(13) Uani 1 1 d . . . . .
H45 H 0.018876 0.784550 0.418111 0.037 Uiso 1 1 calc R U . . .
C46 C 0.1206(3) 0.54954(19) 0.2567(3) 0.0280(13) Uani 1 1 d . . . . .
C47 C 0.4279(3) 0.61862(19) 0.2019(3) 0.0286(13) Uani 1 1 d . . . . .
H47 H 0.405169 0.591963 0.203126 0.034 Uiso 1 1 calc R U . . .
C48 C 0.6076(3) 0.7799(2) 0.3634(3) 0.0351(15) Uani 1 1 d . . . . .
C49 C -0.0253(3) 0.94190(19) 0.1420(3) 0.0321(14) Uani 1 1 d . . . . .
H49 H 0.005883 0.934313 0.117057 0.038 Uiso 1 1 calc R U . . .
H49A H 0.000228 0.955787 0.177581 0.038 Uiso 1 1 calc R U . . .
C50 C 0.3253(3) 0.92299(18) 0.2282(3) 0.0259(12) Uani 1 1 d . . . . .
H50 H 0.285498 0.938966 0.226459 0.031 Uiso 1 1 calc R U . . .
C51 C 0.3849(3) 0.94399(19) 0.2251(3) 0.0290(13) Uani 1 1 d . . . . .
C52 C 0.3388(3) 0.53555(18) 0.4113(2) 0.0244(12) Uani 1 1 d . . . . .
C53 C 0.1794(3) 0.57063(18) 0.2521(3) 0.0253(12) Uani 1 1 d . . . . .
H53 H 0.217934 0.554703 0.249064 0.030 Uiso 1 1 calc R U . . .
C54 C 0.2970(3) 0.93357(18) 0.3981(3) 0.0257(13) Uani 1 1 d . . . . .
H54 H 0.340810 0.941901 0.395837 0.031 Uiso 1 1 calc R U . . .
C55 C 0.0614(3) 0.61956(18) 0.2603(3) 0.0258(12) Uani 1 1 d . . . . .
H55 H 0.022566 0.635707 0.261830 0.031 Uiso 1 1 calc R U . . .
C56 C 0.5907(3) 0.8256(2) 0.3645(3) 0.0319(14) Uani 1 1 d . . . . .
C57 C 0.2499(3) 0.96452(18) 0.4094(3) 0.0253(12) Uani 1 1 d . . . . .
C58 C 0.5274(3) 0.83827(19) 0.3715(3) 0.0279(13) Uani 1 1 d . . . . .
H58 H 0.516456 0.868074 0.373155 0.033 Uiso 1 1 calc R U . . .
C59 C 0.1778(3) 0.8628(2) 0.0470(3) 0.0341(14) Uani 1 1 d . . . . .
H59 H 0.190251 0.877713 0.013894 0.041 Uiso 1 1 calc R U . . .
H59A H 0.138292 0.844531 0.031948 0.041 Uiso 1 1 calc R U . . .
C60 C 0.2892(3) 0.56815(18) 0.4031(3) 0.0249(12) Uani 1 1 d . . . . .
H60 H 0.244047 0.561413 0.402310 0.030 Uiso 1 1 calc R U . . .
C61 C 0.5227(3) 0.6606(2) 0.1796(3) 0.0330(14) Uani 1 1 d . . . . .
C62 C -0.0184(3) 0.7227(2) 0.4251(3) 0.0326(14) Uani 1 1 d . . . . .
C63 C -0.0512(3) 0.82929(19) 0.1905(3) 0.0279(13) Uani 1 1 d . . . . .
C64 C 0.5614(3) 0.7469(2) 0.3706(3) 0.0300(13) Uani 1 1 d . . . . .
H64 H 0.572863 0.717109 0.371464 0.036 Uiso 1 1 calc R U . . .
C65 C 0.4079(3) 0.54659(18) 0.4138(2) 0.0224(12) Uani 1 1 d . . . . .
C66 C 0.5633(3) 0.9218(2) 0.2216(3) 0.0325(14) Uani 1 1 d . . . . .
H66 H 0.554385 0.895439 0.197425 0.039 Uiso 1 1 calc R U . . .
H66A H 0.583570 0.912867 0.261647 0.039 Uiso 1 1 calc R U . . .
C67 C 0.5529(3) 0.47229(18) 0.4305(3) 0.0255(12) Uani 1 1 d . . . . .
H67 H 0.532771 0.455004 0.395939 0.031 Uiso 1 1 calc R U . . .
H67A H 0.543081 0.457446 0.464717 0.031 Uiso 1 1 calc R U . . .
C68 C 0.3740(3) 0.7873(2) 0.0889(3) 0.0342(14) Uani 1 1 d . . . . .
H68 H 0.365275 0.809110 0.117083 0.041 Uiso 1 1 calc R U . . .
H68A H 0.403098 0.764820 0.111013 0.041 Uiso 1 1 calc R U . . .
C69 C 0.4132(3) 0.8099(2) 0.0484(3) 0.0369(15) Uani 1 1 d . . . . .
H69 H 0.427453 0.788079 0.022847 0.044 Uiso 1 1 calc R U . . .
H69A H 0.384191 0.831216 0.023778 0.044 Uiso 1 1 calc R U . . .
C70 C 0.2631(3) 0.42665(18) 0.4181(3) 0.0304(14) Uani 1 1 d . . . . .
H70 H 0.217031 0.415486 0.412564 0.036 Uiso 1 1 calc R U . . .
H70A H 0.282606 0.414734 0.386683 0.036 Uiso 1 1 calc R U . . .
C71 C -0.0791(3) 0.97309(18) 0.1101(3) 0.0279(13) Uani 1 1 d . . . . .
H71 H -0.105559 0.984191 0.137295 0.033 Uiso 1 1 calc R U . . .
H71A H -0.109461 0.957299 0.078790 0.033 Uiso 1 1 calc R U . . .
C72 C -0.0542(3) 0.57105(19) 0.2699(3) 0.0303(14) Uani 1 1 d . . . . .
H72 H -0.069429 0.587314 0.233477 0.036 Uiso 1 1 calc R U . . .
H72A H -0.047554 0.591820 0.302519 0.036 Uiso 1 1 calc R U . . .
C73 C 0.1838(3) 0.95162(19) 0.4145(3) 0.0266(13) Uani 1 1 d . . . . .
C74 C -0.1547(3) 0.7917(2) 0.1896(3) 0.0336(14) Uani 1 1 d . . . . .
H74 H -0.139597 0.784259 0.230952 0.040 Uiso 1 1 calc R U . . .
H74A H -0.143591 0.767105 0.166379 0.040 Uiso 1 1 calc R U . . .
C75 C 0.3734(4) 0.7009(2) 0.0234(3) 0.0455(18) Uani 1 1 d . . . . .
H75 H 0.395817 0.699114 -0.009605 0.055 Uiso 1 1 calc R U . . .
H75A H 0.406710 0.711185 0.057250 0.055 Uiso 1 1 calc R U . . .
C76 C 0.0364(4) 1.0530(2) 0.3913(3) 0.0422(17) Uani 1 1 d . . . . .
H76 H 0.016127 1.041259 0.352647 0.051 Uiso 1 1 calc R U . . .
H76A H 0.082543 1.061960 0.390802 0.051 Uiso 1 1 calc R U . . .
C77 C -0.1062(3) 0.53628(19) 0.2770(3) 0.0305(13) Uani 1 1 d . . . . .
H77 H -0.149185 0.550786 0.276573 0.037 Uiso 1 1 calc R U . . .
H77A H -0.091623 0.522077 0.315043 0.037 Uiso 1 1 calc R U . . .
C78 C 0.1631(3) 0.47872(19) 0.2371(3) 0.0311(14) Uani 1 1 d . . . . .
H78 H 0.205231 0.479152 0.266547 0.037 Uiso 1 1 calc R U . . .
H78A H 0.171835 0.490774 0.200650 0.037 Uiso 1 1 calc R U . . .
C79 C 0.2540(3) 0.8000(2) 0.0343(3) 0.0327(14) Uani 1 1 d . . . . .
H79 H 0.212609 0.784789 0.015468 0.039 Uiso 1 1 calc R U . . .
H79A H 0.270402 0.815898 0.003883 0.039 Uiso 1 1 calc R U . . .
C80 C -0.0470(3) 1.0117(2) 0.0841(3) 0.0319(14) Uani 1 1 d . . . . .
H80 H -0.015265 1.026537 0.115354 0.038 Uiso 1 1 calc R U . . .
H80A H -0.021668 1.000386 0.056096 0.038 Uiso 1 1 calc R U . . .
C81 C 0.2603(3) 0.47661(19) 0.4125(3) 0.0311(14) Uani 1 1 d . . . . .
H81 H 0.231998 0.485191 0.374886 0.037 Uiso 1 1 calc R U . . .
H81A H 0.241530 0.489505 0.443799 0.037 Uiso 1 1 calc R U . . .
C82 C 0.3158(4) 0.7364(2) 0.0085(3) 0.0395(16) Uani 1 1 d . . . . .
H82 H 0.325253 0.755457 -0.022397 0.047 Uiso 1 1 calc R U . . .
H82A H 0.273262 0.721292 -0.007184 0.047 Uiso 1 1 calc R U . . .
C83 C 0.7536(3) 0.7281(2) 0.3207(4) 0.0425(17) Uani 1 1 d . . . . .
H83 H 0.787057 0.745464 0.347645 0.051 Uiso 1 1 calc R U . . .
H83A H 0.744822 0.742844 0.282674 0.051 Uiso 1 1 calc R U . . .
C84 C 0.5209(3) 0.51735(18) 0.4253(3) 0.0262(13) Uani 1 1 d . . . . .
H84 H 0.541574 0.535592 0.458682 0.031 Uiso 1 1 calc R U . . .
H84A H 0.526888 0.531824 0.389441 0.031 Uiso 1 1 calc R U . . .
C85 C 0.1369(3) 0.4319(2) 0.2273(3) 0.0339(14) Uani 1 1 d . . . . .
H85 H 0.129559 0.420203 0.264366 0.041 Uiso 1 1 calc R U . . .
H85A H 0.171283 0.413763 0.215284 0.041 Uiso 1 1 calc R U . . .
C86 C 0.6287(3) 0.47378(19) 0.4360(3) 0.0313(14) Uani 1 1 d . . . . .
H86 H 0.649200 0.490569 0.470903 0.038 Uiso 1 1 calc R U . . .
H86A H 0.638840 0.488855 0.402010 0.038 Uiso 1 1 calc R U . . .
C87 C 0.1602(3) 0.8971(2) 0.0898(3) 0.0423(17) Uani 1 1 d . . . . .
H87 H 0.153031 0.882547 0.124663 0.064 Uiso 1 1 calc R U . . .
H87A H 0.119611 0.912590 0.071270 0.064 Uiso 1 1 calc R U . . .
H87B H 0.196907 0.917852 0.100202 0.064 Uiso 1 1 calc R U . . .
C88 C 0.4800(3) 0.5446(2) 0.1554(3) 0.0357(15) Uani 1 1 d . . . . .
H88 H 0.433381 0.548788 0.134456 0.043 Uiso 1 1 calc R U . . .
H88A H 0.479818 0.533533 0.194608 0.043 Uiso 1 1 calc R U . . .
C89 C 0.3033(4) 0.4096(2) 0.4761(3) 0.0372(15) Uani 1 1 d . . . . .
H89 H 0.285901 0.423046 0.507822 0.045 Uiso 1 1 calc R U . . .
H89A H 0.350211 0.418850 0.480463 0.045 Uiso 1 1 calc R U . . .
C90 C 0.6595(3) 0.4275(2) 0.4403(3) 0.0411(17) Uani 1 1 d . . . . .
H90 H 0.648517 0.412260 0.473296 0.062 Uiso 1 1 calc R U . . .
H90A H 0.707921 0.429762 0.445571 0.062 Uiso 1 1 calc R U . . .
H90B H 0.641438 0.411480 0.404730 0.062 Uiso 1 1 calc R U . . .
C91 C -0.2300(3) 0.7993(2) 0.1755(3) 0.0358(15) Uani 1 1 d . . . . .
H91 H -0.243304 0.810351 0.135484 0.043 Uiso 1 1 calc R U . . .
H91A H -0.252695 0.771141 0.177118 0.043 Uiso 1 1 calc R U . . .
C92 C 0.0380(3) 1.0178(2) 0.4365(3) 0.0357(15) Uani 1 1 d . . . . .
H92 H -0.008282 1.010653 0.438725 0.043 Uiso 1 1 calc R U . . .
H92A H 0.060708 1.029329 0.474604 0.043 Uiso 1 1 calc R U . . .
C93 C 0.0738(3) 0.9754(2) 0.4243(3) 0.0339(14) Uani 1 1 d . . . . .
H93 H 0.070456 0.953207 0.453786 0.041 Uiso 1 1 calc R U . . .
H93A H 0.052604 0.963724 0.385846 0.041 Uiso 1 1 calc R U . . .
C94 C 0.6887(3) 0.7267(2) 0.3433(3) 0.0375(16) Uani 1 1 d . . . . .
H94 H 0.653099 0.712089 0.314925 0.045 Uiso 1 1 calc R U . . .
H94A H 0.695732 0.710543 0.380210 0.045 Uiso 1 1 calc R U . . .
C95 C 0.4872(3) 0.6207(2) 0.1804(3) 0.0297(13) Uani 1 1 d . . . . .
C96 C -0.1702(3) 0.4676(2) 0.2388(3) 0.0353(15) Uani 1 1 d . . . . .
H96 H -0.158820 0.456861 0.278632 0.053 Uiso 1 1 calc R U . . .
H96A H -0.171489 0.443282 0.212000 0.053 Uiso 1 1 calc R U . . .
H96B H -0.213919 0.481649 0.231886 0.053 Uiso 1 1 calc R U . . .
C97 C 0.6116(3) 0.9520(2) 0.1982(3) 0.0320(14) Uani 1 1 d . . . . .
H97 H 0.594364 0.955956 0.156170 0.038 Uiso 1 1 calc R U . . .
H97A H 0.655199 0.937247 0.203216 0.038 Uiso 1 1 calc R U . . .
C98 C -0.1168(3) 0.50102(19) 0.2292(3) 0.0298(13) Uani 1 1 d . . . . .
H98 H -0.074300 0.485859 0.229758 0.036 Uiso 1 1 calc R U . . .
H98A H -0.131441 0.514881 0.190888 0.036 Uiso 1 1 calc R U . . .
C99 C 0.6233(3) 0.9981(2) 0.2268(3) 0.0407(16) Uani 1 1 d . . . . .
H99 H 0.650758 1.015535 0.205734 0.049 Uiso 1 1 calc R U . . .
H99A H 0.579859 1.012827 0.223011 0.049 Uiso 1 1 calc R U . . .
O17 O 0.1603(4) 0.9872(2) 0.5993(3) 0.089(2) Uani 1 1 d . . . . .
C100 C 0.3325(3) 1.01552(19) 0.2160(3) 0.0380(16) Uani 1 1 d . . . . .
H100 H 0.313549 1.010656 0.250513 0.046 Uiso 1 1 calc R U . . .
H101 H 0.298708 1.006929 0.181425 0.046 Uiso 1 1 calc R U . . .
C101 C 0.3259(3) 1.0749(2) 0.4220(4) 0.0451(18) Uani 1 1 d . . . . .
H102 H 0.328172 1.079212 0.463816 0.054 Uiso 1 1 calc R U . . .
H103 H 0.366650 1.087694 0.413003 0.054 Uiso 1 1 calc R U . . .
C102 C 0.6173(3) 0.6973(2) 0.1515(4) 0.0465(19) Uani 1 1 d . . . . .
H104 H 0.663183 0.689639 0.148634 0.056 Uiso 1 1 calc R U . . .
H105 H 0.620252 0.715684 0.186212 0.056 Uiso 1 1 calc R U . . .
C103 C -0.0041(4) 1.0935(2) 0.4038(4) 0.0507(19) Uani 1 1 d . . . . .
H106 H -0.050296 1.085035 0.402399 0.076 Uiso 1 1 calc R U . . .
H107 H -0.002956 1.115856 0.374608 0.076 Uiso 1 1 calc R U . . .
H108 H 0.015593 1.105009 0.442182 0.076 Uiso 1 1 calc R U . . .
C104 C -0.0965(3) 0.7761(2) 0.4495(4) 0.0449(19) Uani 1 1 d . . . . .
H109 H -0.108118 0.792376 0.412731 0.054 Uiso 1 1 calc R U . . .
H110 H -0.058415 0.790625 0.475060 0.054 Uiso 1 1 calc R U . . .
C105 C 0.7824(4) 0.6825(2) 0.3143(4) 0.0478(19) Uani 1 1 d . . . . .
H111 H 0.748035 0.664696 0.288893 0.057 Uiso 1 1 calc R U . . .
H112 H 0.793226 0.668377 0.352647 0.057 Uiso 1 1 calc R U . . .
C106 C 0.3256(3) 1.02522(19) 0.4095(3) 0.0343(15) Uani 1 1 d . . . . .
H113 H 0.330048 1.019885 0.369303 0.041 Uiso 1 1 calc R U . . .
H114 H 0.363020 1.010805 0.436117 0.041 Uiso 1 1 calc R U . . .
C107 C -0.3311(3) 0.8300(3) 0.2089(4) 0.055(2) Uani 1 1 d . . . . .
H115 H -0.352478 0.838024 0.169338 0.082 Uiso 1 1 calc R U . . .
H116 H -0.343963 0.850597 0.236033 0.082 Uiso 1 1 calc R U . . .
H117 H -0.345184 0.800725 0.217219 0.082 Uiso 1 1 calc R U . . .
C108 C -0.2536(3) 0.8308(2) 0.2157(4) 0.0445(18) Uani 1 1 d . . . . .
H118 H -0.239610 0.860496 0.207745 0.053 Uiso 1 1 calc R U . . .
H119 H -0.232256 0.823564 0.256146 0.053 Uiso 1 1 calc R U . . .
C109 C 0.3014(4) 0.3599(2) 0.4824(3) 0.0442(17) Uani 1 1 d . . . . .
H120 H 0.255748 0.350696 0.482183 0.066 Uiso 1 1 calc R U . . .
H121 H 0.330641 0.351256 0.518936 0.066 Uiso 1 1 calc R U . . .
H122 H 0.316473 0.346245 0.450179 0.066 Uiso 1 1 calc R U . . .
C110 C -0.0991(4) 1.0449(2) 0.0532(3) 0.0450(18) Uani 1 1 d . . . . .
H123 H -0.129576 1.030607 0.021166 0.067 Uiso 1 1 calc R U . . .
H124 H -0.076335 1.068777 0.038231 0.067 Uiso 1 1 calc R U . . .
H125 H -0.124267 1.056212 0.080708 0.067 Uiso 1 1 calc R U . . .
C111 C 0.2840(4) 0.7387(2) 0.1079(3) 0.0371(16) Uani 1 1 d . . . . .
H126 H 0.319091 0.716932 0.122098 0.045 Uiso 1 1 calc R U . . .
H127 H 0.282506 0.758388 0.140565 0.045 Uiso 1 1 calc R U . . .
C112 C 0.5158(4) 0.5122(2) 0.1226(4) 0.059(2) Uani 1 1 d . . . . .
H128 H 0.556147 0.500983 0.149074 0.071 Uiso 1 1 calc R U . . .
H129 H 0.529852 0.527338 0.090366 0.071 Uiso 1 1 calc R U . . .
C113 C 0.2650(4) 1.0996(2) 0.3878(4) 0.056(2) Uani 1 1 d . . . . .
H130 H 0.224258 1.087631 0.397660 0.067 Uiso 1 1 calc R U . . .
H131 H 0.268490 1.130479 0.399629 0.067 Uiso 1 1 calc R U . . .
C114 C -0.1259(4) 0.6072(2) 0.4716(3) 0.0433(17) Uani 1 1 d . . . . .
H132 H -0.164794 0.623286 0.449700 0.052 Uiso 1 1 calc R U . . .
H133 H -0.134780 0.600235 0.510024 0.052 Uiso 1 1 calc R U . . .
C115 C -0.1192(4) 0.5643(2) 0.4396(4) 0.053(2) Uani 1 1 d . . . . .
H134 H -0.104201 0.571248 0.403640 0.064 Uiso 1 1 calc R U . . .
H135 H -0.083877 0.546668 0.464108 0.064 Uiso 1 1 calc R U . . .
C116 C -0.0649(3) 0.6366(2) 0.4798(3) 0.0407(16) Uani 1 1 d . . . . .
H136 H -0.072693 0.663697 0.499736 0.049 Uiso 1 1 calc R U . . .
H137 H -0.025482 0.621780 0.503177 0.049 Uiso 1 1 calc R U . . .
C117 C 0.4082(4) 0.6220(3) 0.0312(3) 0.053(2) Uani 1 1 d . . . . .
H138 H 0.414287 0.621462 -0.008671 0.079 Uiso 1 1 calc R U . . .
H139 H 0.395490 0.593051 0.042047 0.079 Uiso 1 1 calc R U . . .
H140 H 0.449841 0.630761 0.057117 0.079 Uiso 1 1 calc R U . . .
C118 C 0.0709(3) 0.4280(2) 0.1809(3) 0.0422(17) Uani 1 1 d . . . . .
H141 H 0.034939 0.442645 0.195503 0.051 Uiso 1 1 calc R U . . .
H142 H 0.076253 0.443360 0.145531 0.051 Uiso 1 1 calc R U . . .
C119 C 0.8458(4) 0.6837(3) 0.2886(4) 0.055(2) Uani 1 1 d . . . . .
H143 H 0.834224 0.694311 0.248783 0.083 Uiso 1 1 calc R U . . .
H144 H 0.864406 0.654401 0.289109 0.083 Uiso 1 1 calc R U . . .
H145 H 0.878739 0.703045 0.311855 0.083 Uiso 1 1 calc R U . . .
C120 C 0.4746(3) 0.8331(2) 0.0841(3) 0.0432(17) Uani 1 1 d . . . . .
H146 H 0.459835 0.856363 0.107239 0.052 Uiso 1 1 calc R U . . .
H147 H 0.501203 0.812097 0.111218 0.052 Uiso 1 1 calc R U . . .
C121 C 0.3515(4) 0.6555(2) 0.0363(3) 0.0480(18) Uani 1 1 d . . . . .
H148 H 0.309971 0.647723 0.008558 0.058 Uiso 1 1 calc R U . . .
H149 H 0.342753 0.654504 0.075743 0.058 Uiso 1 1 calc R U . . .
C122 C 0.6578(4) 0.9964(3) 0.2908(3) 0.0475(18) Uani 1 1 d . . . . .
H150 H 0.628792 0.981738 0.312635 0.071 Uiso 1 1 calc R U . . .
H151 H 0.666889 1.025957 0.305460 0.071 Uiso 1 1 calc R U . . .
H152 H 0.699698 0.980396 0.295158 0.071 Uiso 1 1 calc R U . . .
C123 C 0.2174(4) 0.7146(2) 0.0931(4) 0.0505(19) Uani 1 1 d . . . . .
H153 H 0.222085 0.687659 0.116389 0.061 Uiso 1 1 calc R U . . .
H154 H 0.209845 0.705745 0.052037 0.061 Uiso 1 1 calc R U . . .
C124 C 0.2666(5) 0.9691(3) 0.5532(3) 0.073(3) Uani 1 1 d . . . . .
H155 H 0.262905 0.994031 0.527113 0.110 Uiso 1 1 calc R U . . .
H156 H 0.285936 0.944512 0.536298 0.110 Uiso 1 1 calc R U . . .
H157 H 0.295274 0.976608 0.590491 0.110 Uiso 1 1 calc R U . . .
C125 C 0.2587(5) 1.0970(3) 0.3234(4) 0.071(3) Uani 1 1 d . . . . .
H158 H 0.301820 1.103403 0.314025 0.107 Uiso 1 1 calc R U . . .
H159 H 0.225657 1.118087 0.304334 0.107 Uiso 1 1 calc R U . . .
H160 H 0.244574 1.067721 0.310068 0.107 Uiso 1 1 calc R U . . .
C126 C 0.0930(5) 0.7066(3) 0.0948(4) 0.073(3) Uani 1 1 d . . . . .
H161 H 0.082831 0.694857 0.055461 0.110 Uiso 1 1 calc R U . . .
H162 H 0.054477 0.722698 0.101855 0.110 Uiso 1 1 calc R U . . .
H163 H 0.103449 0.682789 0.122589 0.110 Uiso 1 1 calc R U . . .
C127 C 0.5852(4) 0.7237(3) 0.0983(4) 0.062(2) Uani 1 1 d . . . . .
H164 H 0.536684 0.724803 0.096151 0.074 Uiso 1 1 calc R U . . .
H165 H 0.602252 0.753747 0.103654 0.074 Uiso 1 1 calc R U . . .
C128 C 0.0497(4) 0.3810(2) 0.1651(4) 0.057(2) Uani 1 1 d . . . . .
H166 H 0.083947 0.366577 0.148751 0.085 Uiso 1 1 calc R U . . .
H167 H 0.007491 0.380928 0.136542 0.085 Uiso 1 1 calc R U . . .
H168 H 0.044117 0.365456 0.199808 0.085 Uiso 1 1 calc R U . . .
C129 C 0.5184(4) 0.8528(3) 0.0458(3) 0.053(2) Uani 1 1 d . . . . .
H169 H 0.534329 0.829668 0.023706 0.079 Uiso 1 1 calc R U . . .
H170 H 0.556554 0.867479 0.070049 0.079 Uiso 1 1 calc R U . . .
H171 H 0.492364 0.873689 0.019036 0.079 Uiso 1 1 calc R U . . .
C130 C -0.1824(5) 0.5365(3) 0.4238(4) 0.068(3) Uani 1 1 d . . . . .
H172 H -0.195801 0.527088 0.459134 0.102 Uiso 1 1 calc R U . . .
H173 H -0.173563 0.510976 0.401907 0.102 Uiso 1 1 calc R U . . .
H174 H -0.218292 0.553596 0.400140 0.102 Uiso 1 1 calc R U . . .
C131 C -0.1566(4) 0.7743(3) 0.4787(4) 0.054(2) Uani 1 1 d . . . . .
H175 H -0.189311 0.753098 0.457979 0.065 Uiso 1 1 calc R U . . .
H176 H -0.178395 0.803090 0.475405 0.065 Uiso 1 1 calc R U . . .
C132 C -0.1373(5) 0.7614(3) 0.5436(5) 0.069(3) Uani 1 1 d . . . . .
H177 H -0.104734 0.737307 0.548460 0.082 Uiso 1 1 calc R U . . .
H178 H -0.177366 0.750966 0.556356 0.082 Uiso 1 1 calc R U . . .
C133 C 0.3496(4) 1.0630(3) 0.2119(6) 0.108(5) Uani 1 1 d D . . . .
H179 H 0.307449 1.078346 0.195683 0.130 Uiso 1 1 calc R U . . .
H180 H 0.365026 1.073660 0.251900 0.130 Uiso 1 1 calc R U . . .
C134 C 0.4942(6) 0.4444(3) 0.0556(5) 0.084(3) Uani 1 1 d . . . . .
H210 H 0.501819 0.462948 0.024064 0.125 Uiso 1 1 calc R U . . .
H211 H 0.463311 0.421048 0.039691 0.125 Uiso 1 1 calc R U . . .
H212 H 0.536495 0.431826 0.075815 0.125 Uiso 1 1 calc R U . . .
C135 C 0.7303(5) 0.9033(3) 0.3905(6) 0.111(5) Uani 1 1 d . . . . .
H183 H 0.708429 0.928348 0.404807 0.133 Uiso 1 1 calc R U . . .
H184 H 0.728076 0.907800 0.348754 0.133 Uiso 1 1 calc R U . . .
C136 C 0.6675(5) 0.7199(4) 0.0302(4) 0.079(3) Uani 1 1 d . . . . .
H185 H 0.669649 0.751313 0.024624 0.118 Uiso 1 1 calc R U . . .
H186 H 0.674442 0.704963 -0.004555 0.118 Uiso 1 1 calc R U . . .
H187 H 0.702168 0.711178 0.063368 0.118 Uiso 1 1 calc R U . . .
C137 C 0.2164(6) 0.9072(3) 0.6109(4) 0.087(4) Uani 1 1 d . . . . .
H188 H 0.255108 0.916824 0.639895 0.131 Uiso 1 1 calc R U . . .
H189 H 0.229960 0.884315 0.587120 0.131 Uiso 1 1 calc R U . . .
H190 H 0.182417 0.895900 0.630317 0.131 Uiso 1 1 calc R U . . .
C138 C 0.4078(5) 1.1232(2) 0.1658(4) 0.068(3) Uani 1 1 d . . . . .
H191 H 0.365953 1.139261 0.161851 0.102 Uiso 1 1 calc R U . . .
H192 H 0.422995 1.124609 0.129371 0.102 Uiso 1 1 calc R U . . .
H193 H 0.441476 1.136042 0.196775 0.102 Uiso 1 1 calc R U . . .
C139 C 0.4655(6) 0.4703(3) 0.0963(6) 0.108(5) Uani 1 1 d . . . . .
H194 H 0.458790 0.451721 0.128571 0.129 Uiso 1 1 calc R U . . .
H195 H 0.421515 0.481645 0.076316 0.129 Uiso 1 1 calc R U . . .
C140 C 0.5964(5) 0.7073(4) 0.0417(5) 0.089(3) Uani 1 1 d . . . . .
H196 H 0.561541 0.719300 0.010182 0.106 Uiso 1 1 calc R U . . .
H197 H 0.591889 0.675355 0.040740 0.106 Uiso 1 1 calc R U . . .
C141 C 0.3969(5) 1.0769(3) 0.1800(7) 0.114(5) Uani 1 1 d D . . . .
H198 H 0.386197 1.061232 0.142740 0.136 Uiso 1 1 calc R U . . .
H199 H 0.440500 1.065796 0.200981 0.136 Uiso 1 1 calc R U . . .
C142 C 0.1545(4) 0.7379(3) 0.1019(4) 0.062(2) Uani 1 1 d . . . . .
H200 H 0.143889 0.761822 0.073482 0.074 Uiso 1 1 calc R U . . .
H201 H 0.163227 0.750876 0.141027 0.074 Uiso 1 1 calc R U . . .
C143 C 0.8066(6) 0.9019(4) 0.4235(6) 0.095(3) Uani 1 1 d . . . . .
H202 H 0.843028 0.899168 0.405087 0.115 Uiso 1 1 calc R U . . .
C144 C 0.6931(5) 0.8629(3) 0.3983(5) 0.079(3) Uani 1 1 d . . . . .
H203 H 0.722839 0.837585 0.398894 0.094 Uiso 1 1 calc R U . . .
H204 H 0.679930 0.864118 0.436124 0.094 Uiso 1 1 calc R U . . .
C145 C 0.8123(7) 0.9051(4) 0.4820(5) 0.115(5) Uani 1 1 d . . . . .
H205 H 0.773571 0.907694 0.497533 0.138 Uiso 1 1 calc R U . . .
H206 H 0.854963 0.904653 0.507088 0.138 Uiso 1 1 calc R U . . .
C146 C -0.1061(6) 0.8011(4) 0.5827(5) 0.088(3) Uani 1 1 d . . . . .
H207 H -0.073819 0.816016 0.564486 0.132 Uiso 1 1 calc R U . . .
H208 H -0.083718 0.790540 0.620873 0.132 Uiso 1 1 calc R U . . .
H209 H -0.141505 0.821367 0.586771 0.132 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N9 Tb1 N2 143.67(15) . . ?
N9 Tb1 N11 70.67(14) . . ?
N2 Tb1 N11 143.85(15) . . ?
N9 Tb1 N12 82.62(15) . . ?
N2 Tb1 N12 69.91(15) . . ?
N11 Tb1 N12 143.14(15) . . ?
N9 Tb1 N5 107.60(15) . . ?
N2 Tb1 N5 84.11(15) . . ?
N11 Tb1 N5 70.26(14) . . ?
N12 Tb1 N5 144.32(14) . . ?
N9 Tb1 N1 83.76(15) . . ?
N2 Tb1 N1 107.24(15) . . ?
N11 Tb1 N1 82.21(14) . . ?
N12 Tb1 N1 69.75(14) . . ?
N5 Tb1 N1 143.81(14) . . ?
N9 Tb1 N16 70.05(15) . . ?
N2 Tb1 N16 82.97(15) . . ?
N11 Tb1 N16 109.99(14) . . ?
N12 Tb1 N16 82.76(14) . . ?
N5 Tb1 N16 69.80(14) . . ?
N1 Tb1 N16 144.24(15) . . ?
N9 Tb1 N8 144.34(15) . . ?
N2 Tb1 N8 69.58(15) . . ?
N11 Tb1 N8 82.10(15) . . ?
N12 Tb1 N8 108.63(15) . . ?
N5 Tb1 N8 83.21(14) . . ?
N1 Tb1 N8 69.79(14) . . ?
N16 Tb1 N8 143.31(15) . . ?
O17 S1 C137 109.3(4) . . ?
O17 S1 C124 108.0(4) . . ?
C137 S1 C124 91.5(5) . . ?
C28 O1 C66 117.0(4) . . ?
C1 N1 C14 108.0(4) . . ?
C1 N1 Tb1 124.0(3) . . ?
C14 N1 Tb1 121.2(3) . . ?
C44 O2 C72 116.9(4) . . ?
C43 O3 C49 115.7(4) . . ?
C63 O4 C74 115.2(4) . . ?
C13 N2 C2 107.5(4) . . ?
C13 N2 Tb1 120.2(3) . . ?
C2 N2 Tb1 119.8(4) . . ?
C1 N3 C5 122.2(5) . . ?
C52 O5 C81 117.7(4) . . ?
C31 N4 C18 122.9(5) . . ?
C16 N5 C25 107.1(4) . . ?
C16 N5 Tb1 120.9(3) . . ?
C25 N5 Tb1 122.2(3) . . ?
C23 N6 C13 122.8(4) . . ?
C65 O6 C84 118.8(4) . . ?
C95 O7 C88 116.9(4) . . ?
C8 N7 C25 123.5(5) . . ?
C57 O8 C106 117.6(5) . . ?
C23 N8 C5 109.3(4) . . ?
C23 N8 Tb1 121.9(3) . . ?
C5 N8 Tb1 122.9(4) . . ?
C4 N9 C31 107.3(4) . . ?
C4 N9 Tb1 119.5(3) . . ?
C31 N9 Tb1 122.6(3) . . ?
C26 N10 C2 123.0(5) . . ?
C27 O9 C116 114.7(5) . . ?
C61 O10 C102 118.8(5) . . ?
C33 N11 C8 108.2(4) . . ?
C33 N11 Tb1 123.4(3) . . ?
C8 N11 Tb1 125.8(3) . . ?
C46 O11 C78 116.7(4) . . ?
C62 O12 C104 119.0(5) . . ?
C26 N12 C10 107.8(4) . . ?
C26 N12 Tb1 122.3(3) . . ?
C10 N12 Tb1 122.0(3) . . ?
C10 N13 C14 122.7(5) . . ?
C73 O13 C93 116.8(4) . . ?
C51 O14 C100 116.8(4) . . ?
C48 O15 C94 118.3(5) . . ?
C32 N14 C16 122.1(4) . . ?
C4 N15 C33 122.1(4) . . ?
C32 N16 C18 108.7(4) . . ?
C32 N16 Tb1 123.6(3) . . ?
C18 N16 Tb1 125.1(3) . . ?
C144 O16 C56 116.7(6) . . ?
N3 C1 N1 128.6(5) . . ?
N3 C1 C29 121.4(5) . . ?
N1 C1 C29 109.9(5) . . ?
N10 C2 N2 127.2(5) . . ?
N10 C2 C11 123.3(5) . . ?
N2 C2 C11 109.4(5) . . ?
C111 N17 C79 111.7(5) . . ?
C111 N17 C68 107.4(5) . . ?
C79 N17 C68 111.1(5) . . ?
C111 N17 C82 111.6(5) . . ?
C79 N17 C82 105.4(5) . . ?
C68 N17 C82 109.6(5) . . ?
C15 C3 C34 122.6(5) . . ?
C15 C3 C16 106.3(5) . . ?
C34 C3 C16 131.0(5) . . ?
N15 C4 N9 128.2(5) . . ?
N15 C4 C9 121.5(5) . . ?
N9 C4 C9 110.2(5) . . ?
N3 C5 N8 129.7(5) . . ?
N3 C5 C6 121.5(5) . . ?
N8 C5 C6 108.7(5) . . ?
C35 C6 C38 123.2(5) . . ?
C35 C6 C5 106.7(5) . . ?
C38 C6 C5 130.1(5) . . ?
C29 C7 C17 119.7(5) . . ?
C29 C7 C14 107.4(5) . . ?
C17 C7 C14 133.0(5) . . ?
N7 C8 N11 128.3(5) . . ?
N7 C8 C24 123.3(5) . . ?
N11 C8 C24 108.3(5) . . ?
C55 C9 C19 122.8(5) . . ?
C55 C9 C4 131.5(5) . . ?
C19 C9 C4 105.7(5) . . ?
N13 C10 N12 127.6(5) . . ?
N13 C10 C12 123.1(5) . . ?
N12 C10 C12 109.3(5) . . ?
C22 C11 C64 121.9(5) . . ?
C22 C11 C2 106.3(5) . . ?
C64 C11 C2 131.7(5) . . ?
C21 C12 C60 122.7(5) . . ?
C21 C12 C10 107.1(5) . . ?
C60 C12 C10 130.2(5) . . ?
N6 C13 N2 127.6(5) . . ?
N6 C13 C22 122.8(5) . . ?
N2 C13 C22 109.7(5) . . ?
N13 C14 N1 128.4(5) . . ?
N13 C14 C7 122.7(5) . . ?
N1 C14 C7 108.8(4) . . ?
C3 C15 C50 120.1(5) . . ?
C3 C15 C25 106.9(5) . . ?
C50 C15 C25 133.0(5) . . ?
N14 C16 N5 127.5(5) . . ?
N14 C16 C3 122.2(5) . . ?
N5 C16 C3 110.0(4) . . ?
C27 C17 C7 118.7(5) . . ?
C27 C17 H17 120.6 . . ?
C7 C17 H17 120.6 . . ?
N4 C18 N16 128.1(5) . . ?
N4 C18 C20 122.5(5) . . ?
N16 C18 C20 109.4(5) . . ?
C9 C19 C53 120.4(5) . . ?
C9 C19 C31 106.8(5) . . ?
C53 C19 C31 132.7(5) . . ?
C30 C20 C47 120.3(5) . . ?
C30 C20 C18 106.8(5) . . ?
C47 C20 C18 132.6(5) . . ?
C12 C21 C40 120.4(5) . . ?
C12 C21 C26 106.4(5) . . ?
C40 C21 C26 133.2(5) . . ?
C11 C22 C58 120.8(5) . . ?
C11 C22 C13 107.0(5) . . ?
C58 C22 C13 132.0(5) . . ?
N6 C23 N8 127.7(5) . . ?
N6 C23 C35 123.3(5) . . ?
N8 C23 C35 108.9(5) . . ?
C42 C24 C41 120.9(5) . . ?
C42 C24 C8 106.8(5) . . ?
C41 C24 C8 132.1(5) . . ?
N7 C25 N5 126.8(5) . . ?
N7 C25 C15 123.7(5) . . ?
N5 C25 C15 109.4(5) . . ?
N10 C26 N12 127.8(5) . . ?
N10 C26 C21 123.0(5) . . ?
N12 C26 C21 109.2(5) . . ?
C17 C27 O9 119.3(5) . . ?
C17 C27 C62 121.2(5) . . ?
O9 C27 C62 119.2(5) . . ?
O1 C28 C34 124.6(5) . . ?
O1 C28 C51 115.6(5) . . ?
C34 C28 C51 119.8(5) . . ?
C7 C29 C45 122.7(5) . . ?
C7 C29 C1 105.7(5) . . ?
C45 C29 C1 131.7(5) . . ?
C37 C30 C20 122.5(5) . . ?
C37 C30 C32 131.2(5) . . ?
C20 C30 C32 106.2(5) . . ?
N4 C31 N9 127.1(5) . . ?
N4 C31 C19 123.1(5) . . ?
N9 C31 C19 109.7(5) . . ?
N14 C32 N16 129.6(5) . . ?
N14 C32 C30 121.3(5) . . ?
N16 C32 C30 108.9(5) . . ?
N15 C33 N11 128.4(5) . . ?
N15 C33 C42 121.0(5) . . ?
N11 C33 C42 110.5(5) . . ?
C28 C34 C3 117.6(5) . . ?
C28 C34 H34 121.2 . . ?
C3 C34 H34 121.2 . . ?
C6 C35 C54 120.4(5) . . ?
C6 C35 C23 106.3(5) . . ?
C54 C35 C23 133.2(5) . . ?
C79 C36 C59 109.8(5) . . ?
C79 C36 H36 109.7 . . ?
C59 C36 H36 109.7 . . ?
C79 C36 H36A 109.7 . . ?
C59 C36 H36A 109.7 . . ?
H36 C36 H36A 108.2 . . ?
C30 C37 C61 117.1(5) . . ?
C30 C37 H37 121.4 . . ?
C61 C37 H37 121.4 . . ?
C73 C38 C6 117.2(5) . . ?
C73 C38 H38 121.4 . . ?
C6 C38 H38 121.4 . . ?
C42 C39 C63 118.7(5) . . ?
C42 C39 H39 120.7 . . ?
C63 C39 H39 120.7 . . ?
C65 C40 C21 118.2(5) . . ?
C65 C40 H40 120.9 . . ?
C21 C40 H40 120.9 . . ?
C43 C41 C24 118.3(5) . . ?
C43 C41 H41 120.8 . . ?
C24 C41 H41 120.8 . . ?
C39 C42 C24 121.4(5) . . ?
C39 C42 C33 132.4(5) . . ?
C24 C42 C33 106.1(5) . . ?
O3 C43 C41 125.0(5) . . ?
O3 C43 C63 114.0(5) . . ?
C41 C43 C63 120.9(5) . . ?
C55 C44 O2 124.3(5) . . ?
C55 C44 C46 121.1(5) . . ?
O2 C44 C46 114.6(5) . . ?
C29 C45 C62 117.5(5) . . ?
C29 C45 H45 121.2 . . ?
C62 C45 H45 121.2 . . ?
O11 C46 C53 124.5(5) . . ?
O11 C46 C44 114.5(5) . . ?
C53 C46 C44 121.0(5) . . ?
C95 C47 C20 117.7(5) . . ?
C95 C47 H47 121.1 . . ?
C20 C47 H47 121.1 . . ?
O15 C48 C64 124.3(6) . . ?
O15 C48 C56 114.3(5) . . ?
C64 C48 C56 121.3(5) . . ?
O3 C49 C71 108.0(4) . . ?
O3 C49 H49 110.1 . . ?
C71 C49 H49 110.1 . . ?
O3 C49 H49A 110.1 . . ?
C71 C49 H49A 110.1 . . ?
H49 C49 H49A 108.4 . . ?
C51 C50 C15 118.1(5) . . ?
C51 C50 H50 120.9 . . ?
C15 C50 H50 120.9 . . ?
C50 C51 O14 124.8(5) . . ?
C50 C51 C28 121.8(5) . . ?
O14 C51 C28 113.3(5) . . ?
O5 C52 C60 126.1(5) . . ?
O5 C52 C65 113.2(5) . . ?
C60 C52 C65 120.6(5) . . ?
C46 C53 C19 117.8(5) . . ?
C46 C53 H53 121.1 . . ?
C19 C53 H53 121.1 . . ?
C35 C54 C57 117.1(5) . . ?
C35 C54 H54 121.4 . . ?
C57 C54 H54 121.4 . . ?
C44 C55 C9 116.9(5) . . ?
C44 C55 H55 121.6 . . ?
C9 C55 H55 121.6 . . ?
O16 C56 C58 119.7(5) . . ?
O16 C56 C48 119.9(5) . . ?
C58 C56 C48 120.3(5) . . ?
O8 C57 C54 124.9(5) . . ?
O8 C57 C73 113.6(5) . . ?
C54 C57 C73 121.4(5) . . ?
C56 C58 C22 118.7(5) . . ?
C56 C58 H58 120.6 . . ?
C22 C58 H58 120.6 . . ?
C87 C59 C36 110.7(5) . . ?
C87 C59 H59 109.5 . . ?
C36 C59 H59 109.5 . . ?
C87 C59 H59A 109.5 . . ?
C36 C59 H59A 109.5 . . ?
H59 C59 H59A 108.1 . . ?
C52 C60 C12 117.2(5) . . ?
C52 C60 H60 121.4 . . ?
C12 C60 H60 121.4 . . ?
O10 C61 C95 115.3(5) . . ?
O10 C61 C37 124.0(5) . . ?
C95 C61 C37 120.7(5) . . ?
O12 C62 C45 125.3(5) . . ?
O12 C62 C27 114.7(5) . . ?
C45 C62 C27 120.1(5) . . ?
O4 C63 C39 124.4(5) . . ?
O4 C63 C43 116.0(5) . . ?
C39 C63 C43 119.6(5) . . ?
C11 C64 C48 116.9(5) . . ?
C11 C64 H64 121.6 . . ?
C48 C64 H64 121.6 . . ?
O6 C65 C40 126.1(5) . . ?
O6 C65 C52 113.1(5) . . ?
C40 C65 C52 120.8(5) . . ?
O1 C66 C97 109.2(5) . . ?
O1 C66 H66 109.8 . . ?
C97 C66 H66 109.8 . . ?
O1 C66 H66A 109.8 . . ?
C97 C66 H66A 109.8 . . ?
H66 C66 H66A 108.3 . . ?
C84 C67 C86 113.0(5) . . ?
C84 C67 H67 109.0 . . ?
C86 C67 H67 109.0 . . ?
C84 C67 H67A 109.0 . . ?
C86 C67 H67A 109.0 . . ?
H67 C67 H67A 107.8 . . ?
C69 C68 N17 117.6(5) . . ?
C69 C68 H68 107.9 . . ?
N17 C68 H68 107.9 . . ?
C69 C68 H68A 107.9 . . ?
N17 C68 H68A 107.9 . . ?
H68 C68 H68A 107.2 . . ?
C120 C69 C68 110.1(5) . . ?
C120 C69 H69 109.6 . . ?
C68 C69 H69 109.6 . . ?
C120 C69 H69A 109.6 . . ?
C68 C69 H69A 109.6 . . ?
H69 C69 H69A 108.2 . . ?
C89 C70 C81 114.9(5) . . ?
C89 C70 H70 108.5 . . ?
C81 C70 H70 108.5 . . ?
C89 C70 H70A 108.5 . . ?
C81 C70 H70A 108.5 . . ?
H70 C70 H70A 107.5 . . ?
C49 C71 C80 110.7(5) . . ?
C49 C71 H71 109.5 . . ?
C80 C71 H71 109.5 . . ?
C49 C71 H71A 109.5 . . ?
C80 C71 H71A 109.5 . . ?
H71 C71 H71A 108.1 . . ?
O2 C72 C77 107.2(5) . . ?
O2 C72 H72 110.3 . . ?
C77 C72 H72 110.3 . . ?
O2 C72 H72A 110.3 . . ?
C77 C72 H72A 110.3 . . ?
H72 C72 H72A 108.5 . . ?
O13 C73 C38 124.8(5) . . ?
O13 C73 C57 114.6(5) . . ?
C38 C73 C57 120.6(5) . . ?
O4 C74 C91 109.4(5) . . ?
O4 C74 H74 109.8 . . ?
C91 C74 H74 109.8 . . ?
O4 C74 H74A 109.8 . . ?
C91 C74 H74A 109.8 . . ?
H74 C74 H74A 108.2 . . ?
C121 C75 C82 116.0(6) . . ?
C121 C75 H75 108.3 . . ?
C82 C75 H75 108.3 . . ?
C121 C75 H75A 108.3 . . ?
C82 C75 H75A 108.3 . . ?
H75 C75 H75A 107.4 . . ?
C92 C76 C103 111.6(6) . . ?
C92 C76 H76 109.3 . . ?
C103 C76 H76 109.3 . . ?
C92 C76 H76A 109.3 . . ?
C103 C76 H76A 109.3 . . ?
H76 C76 H76A 108.0 . . ?
C72 C77 C98 113.6(5) . . ?
C72 C77 H77 108.8 . . ?
C98 C77 H77 108.8 . . ?
C72 C77 H77A 108.8 . . ?
C98 C77 H77A 108.8 . . ?
H77 C77 H77A 107.7 . . ?
O11 C78 C85 107.9(5) . . ?
O11 C78 H78 110.1 . . ?
C85 C78 H78 110.1 . . ?
O11 C78 H78A 110.1 . . ?
C85 C78 H78A 110.1 . . ?
H78 C78 H78A 108.4 . . ?
N17 C79 C36 115.2(5) . . ?
N17 C79 H79 108.5 . . ?
C36 C79 H79 108.5 . . ?
N17 C79 H79A 108.5 . . ?
C36 C79 H79A 108.5 . . ?
H79 C79 H79A 107.5 . . ?
C110 C80 C71 112.7(5) . . ?
C110 C80 H80 109.1 . . ?
C71 C80 H80 109.1 . . ?
C110 C80 H80A 109.1 . . ?
C71 C80 H80A 109.1 . . ?
H80 C80 H80A 107.8 . . ?
O5 C81 C70 106.7(5) . . ?
O5 C81 H81 110.4 . . ?
C70 C81 H81 110.4 . . ?
O5 C81 H81A 110.4 . . ?
C70 C81 H81A 110.4 . . ?
H81 C81 H81A 108.6 . . ?
N17 C82 C75 115.3(5) . . ?
N17 C82 H82 108.5 . . ?
C75 C82 H82 108.5 . . ?
N17 C82 H82A 108.5 . . ?
C75 C82 H82A 108.5 . . ?
H82 C82 H82A 107.5 . . ?
C94 C83 C105 112.7(6) . . ?
C94 C83 H83 109.1 . . ?
C105 C83 H83 109.1 . . ?
C94 C83 H83A 109.1 . . ?
C105 C83 H83A 109.1 . . ?
H83 C83 H83A 107.8 . . ?
O6 C84 C67 106.9(4) . . ?
O6 C84 H84 110.3 . . ?
C67 C84 H84 110.3 . . ?
O6 C84 H84A 110.3 . . ?
C67 C84 H84A 110.3 . . ?
H84 C84 H84A 108.6 . . ?
C78 C85 C118 113.7(5) . . ?
C78 C85 H85 108.8 . . ?
C118 C85 H85 108.8 . . ?
C78 C85 H85A 108.8 . . ?
C118 C85 H85A 108.8 . . ?
H85 C85 H85A 107.7 . . ?
C67 C86 C90 111.7(5) . . ?
C67 C86 H86 109.3 . . ?
C90 C86 H86 109.3 . . ?
C67 C86 H86A 109.3 . . ?
C90 C86 H86A 109.3 . . ?
H86 C86 H86A 107.9 . . ?
C59 C87 H87 109.5 . . ?
C59 C87 H87A 109.5 . . ?
H87 C87 H87A 109.5 . . ?
C59 C87 H87B 109.5 . . ?
H87 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
O7 C88 C112 107.1(5) . . ?
O7 C88 H88 110.3 . . ?
C112 C88 H88 110.3 . . ?
O7 C88 H88A 110.3 . . ?
C112 C88 H88A 110.3 . . ?
H88 C88 H88A 108.5 . . ?
C70 C89 C109 114.0(6) . . ?
C70 C89 H89 108.8 . . ?
C109 C89 H89 108.8 . . ?
C70 C89 H89A 108.8 . . ?
C109 C89 H89A 108.8 . . ?
H89 C89 H89A 107.6 . . ?
C86 C90 H90 109.5 . . ?
C86 C90 H90A 109.5 . . ?
H90 C90 H90A 109.5 . . ?
C86 C90 H90B 109.5 . . ?
H90 C90 H90B 109.5 . . ?
H90A C90 H90B 109.5 . . ?
C108 C91 C74 114.1(6) . . ?
C108 C91 H91 108.7 . . ?
C74 C91 H91 108.7 . . ?
C108 C91 H91A 108.7 . . ?
C74 C91 H91A 108.7 . . ?
H91 C91 H91A 107.6 . . ?
C76 C92 C93 114.1(5) . . ?
C76 C92 H92 108.7 . . ?
C93 C92 H92 108.7 . . ?
C76 C92 H92A 108.7 . . ?
C93 C92 H92A 108.7 . . ?
H92 C92 H92A 107.6 . . ?
O13 C93 C92 108.2(5) . . ?
O13 C93 H93 110.0 . . ?
C92 C93 H93 110.0 . . ?
O13 C93 H93A 110.0 . . ?
C92 C93 H93A 110.0 . . ?
H93 C93 H93A 108.4 . . ?
O15 C94 C83 106.9(5) . . ?
O15 C94 H94 110.3 . . ?
C83 C94 H94 110.3 . . ?
O15 C94 H94A 110.3 . . ?
C83 C94 H94A 110.3 . . ?
H94 C94 H94A 108.6 . . ?
O7 C95 C47 123.8(6) . . ?
O7 C95 C61 114.7(5) . . ?
C47 C95 C61 121.5(5) . . ?
C98 C96 H96 109.5 . . ?
C98 C96 H96A 109.5 . . ?
H96 C96 H96A 109.5 . . ?
C98 C96 H96B 109.5 . . ?
H96 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C66 C97 C99 116.0(5) . . ?
C66 C97 H97 108.3 . . ?
C99 C97 H97 108.3 . . ?
C66 C97 H97A 108.3 . . ?
C99 C97 H97A 108.3 . . ?
H97 C97 H97A 107.4 . . ?
C77 C98 C96 110.6(5) . . ?
C77 C98 H98 109.5 . . ?
C96 C98 H98 109.5 . . ?
C77 C98 H98A 109.5 . . ?
C96 C98 H98A 109.5 . . ?
H98 C98 H98A 108.1 . . ?
C122 C99 C97 113.2(6) . . ?
C122 C99 H99 108.9 . . ?
C97 C99 H99 108.9 . . ?
C122 C99 H99A 108.9 . . ?
C97 C99 H99A 108.9 . . ?
H99 C99 H99A 107.8 . . ?
O14 C100 C133 109.7(5) . . ?
O14 C100 H100 109.7 . . ?
C133 C100 H100 109.7 . . ?
O14 C100 H101 109.7 . . ?
C133 C100 H101 109.7 . . ?
H100 C100 H101 108.2 . . ?
C113 C101 C106 114.6(6) . . ?
C113 C101 H102 108.6 . . ?
C106 C101 H102 108.6 . . ?
C113 C101 H103 108.6 . . ?
C106 C101 H103 108.6 . . ?
H102 C101 H103 107.6 . . ?
O10 C102 C127 114.1(7) . . ?
O10 C102 H104 108.7 . . ?
C127 C102 H104 108.7 . . ?
O10 C102 H105 108.7 . . ?
C127 C102 H105 108.7 . . ?
H104 C102 H105 107.6 . . ?
C76 C103 H106 109.5 . . ?
C76 C103 H107 109.5 . . ?
H106 C103 H107 109.5 . . ?
C76 C103 H108 109.5 . . ?
H106 C103 H108 109.5 . . ?
H107 C103 H108 109.5 . . ?
O12 C104 C131 106.9(5) . . ?
O12 C104 H109 110.3 . . ?
C131 C104 H109 110.3 . . ?
O12 C104 H110 110.3 . . ?
C131 C104 H110 110.3 . . ?
H109 C104 H110 108.6 . . ?
C83 C105 C119 112.9(6) . . ?
C83 C105 H111 109.0 . . ?
C119 C105 H111 109.0 . . ?
C83 C105 H112 109.0 . . ?
C119 C105 H112 109.0 . . ?
H111 C105 H112 107.8 . . ?
O8 C106 C101 106.6(5) . . ?
O8 C106 H113 110.4 . . ?
C101 C106 H113 110.4 . . ?
O8 C106 H114 110.4 . . ?
C101 C106 H114 110.4 . . ?
H113 C106 H114 108.6 . . ?
C108 C107 H115 109.5 . . ?
C108 C107 H116 109.5 . . ?
H115 C107 H116 109.5 . . ?
C108 C107 H117 109.5 . . ?
H115 C107 H117 109.5 . . ?
H116 C107 H117 109.5 . . ?
C91 C108 C107 112.4(6) . . ?
C91 C108 H118 109.1 . . ?
C107 C108 H118 109.1 . . ?
C91 C108 H119 109.1 . . ?
C107 C108 H119 109.1 . . ?
H118 C108 H119 107.9 . . ?
C89 C109 H120 109.5 . . ?
C89 C109 H121 109.5 . . ?
H120 C109 H121 109.5 . . ?
C89 C109 H122 109.5 . . ?
H120 C109 H122 109.5 . . ?
H121 C109 H122 109.5 . . ?
C80 C110 H123 109.5 . . ?
C80 C110 H124 109.5 . . ?
H123 C110 H124 109.5 . . ?
C80 C110 H125 109.5 . . ?
H123 C110 H125 109.5 . . ?
H124 C110 H125 109.5 . . ?
C123 C111 N17 119.2(6) . . ?
C123 C111 H126 107.5 . . ?
N17 C111 H126 107.5 . . ?
C123 C111 H127 107.5 . . ?
N17 C111 H127 107.5 . . ?
H126 C111 H127 107.0 . . ?
C88 C112 C139 111.1(6) . . ?
C88 C112 H128 109.4 . . ?
C139 C112 H128 109.4 . . ?
C88 C112 H129 109.4 . . ?
C139 C112 H129 109.4 . . ?
H128 C112 H129 108.0 . . ?
C125 C113 C101 113.0(7) . . ?
C125 C113 H130 109.0 . . ?
C101 C113 H130 109.0 . . ?
C125 C113 H131 109.0 . . ?
C101 C113 H131 109.0 . . ?
H130 C113 H131 107.8 . . ?
C116 C114 C115 114.5(6) . . ?
C116 C114 H132 108.6 . . ?
C115 C114 H132 108.6 . . ?
C116 C114 H133 108.6 . . ?
C115 C114 H133 108.6 . . ?
H132 C114 H133 107.6 . . ?
C130 C115 C114 116.0(7) . . ?
C130 C115 H134 108.3 . . ?
C114 C115 H134 108.3 . . ?
C130 C115 H135 108.3 . . ?
C114 C115 H135 108.3 . . ?
H134 C115 H135 107.4 . . ?
O9 C116 C114 106.2(6) . . ?
O9 C116 H136 110.5 . . ?
C114 C116 H136 110.5 . . ?
O9 C116 H137 110.5 . . ?
C114 C116 H137 110.5 . . ?
H136 C116 H137 108.7 . . ?
C121 C117 H138 109.5 . . ?
C121 C117 H139 109.5 . . ?
H138 C117 H139 109.5 . . ?
C121 C117 H140 109.5 . . ?
H138 C117 H140 109.5 . . ?
H139 C117 H140 109.5 . . ?
C128 C118 C85 113.8(6) . . ?
C128 C118 H141 108.8 . . ?
C85 C118 H141 108.8 . . ?
C128 C118 H142 108.8 . . ?
C85 C118 H142 108.8 . . ?
H141 C118 H142 107.7 . . ?
C105 C119 H143 109.5 . . ?
C105 C119 H144 109.5 . . ?
H143 C119 H144 109.5 . . ?
C105 C119 H145 109.5 . . ?
H143 C119 H145 109.5 . . ?
H144 C119 H145 109.5 . . ?
C129 C120 C69 112.0(6) . . ?
C129 C120 H146 109.2 . . ?
C69 C120 H146 109.2 . . ?
C129 C120 H147 109.2 . . ?
C69 C120 H147 109.2 . . ?
H146 C120 H147 107.9 . . ?
C75 C121 C117 109.4(6) . . ?
C75 C121 H148 109.8 . . ?
C117 C121 H148 109.8 . . ?
C75 C121 H149 109.8 . . ?
C117 C121 H149 109.8 . . ?
H148 C121 H149 108.2 . . ?
C99 C122 H150 109.5 . . ?
C99 C122 H151 109.5 . . ?
H150 C122 H151 109.5 . . ?
C99 C122 H152 109.5 . . ?
H150 C122 H152 109.5 . . ?
H151 C122 H152 109.5 . . ?
C111 C123 C142 118.7(6) . . ?
C111 C123 H153 107.6 . . ?
C142 C123 H153 107.6 . . ?
C111 C123 H154 107.6 . . ?
C142 C123 H154 107.6 . . ?
H153 C123 H154 107.1 . . ?
S1 C124 H155 109.5 . . ?
S1 C124 H156 109.5 . . ?
H155 C124 H156 109.5 . . ?
S1 C124 H157 109.5 . . ?
H155 C124 H157 109.5 . . ?
H156 C124 H157 109.5 . . ?
C113 C125 H158 109.5 . . ?
C113 C125 H159 109.5 . . ?
H158 C125 H159 109.5 . . ?
C113 C125 H160 109.5 . . ?
H158 C125 H160 109.5 . . ?
H159 C125 H160 109.5 . . ?
C142 C126 H161 109.5 . . ?
C142 C126 H162 109.5 . . ?
H161 C126 H162 109.5 . . ?
C142 C126 H163 109.5 . . ?
H161 C126 H163 109.5 . . ?
H162 C126 H163 109.5 . . ?
C140 C127 C102 116.0(8) . . ?
C140 C127 H164 108.3 . . ?
C102 C127 H164 108.3 . . ?
C140 C127 H165 108.3 . . ?
C102 C127 H165 108.3 . . ?
H164 C127 H165 107.4 . . ?
C118 C128 H166 109.5 . . ?
C118 C128 H167 109.5 . . ?
H166 C128 H167 109.5 . . ?
C118 C128 H168 109.5 . . ?
H166 C128 H168 109.5 . . ?
H167 C128 H168 109.5 . . ?
C120 C129 H169 109.5 . . ?
C120 C129 H170 109.5 . . ?
H169 C129 H170 109.5 . . ?
C120 C129 H171 109.5 . . ?
H169 C129 H171 109.5 . . ?
H170 C129 H171 109.5 . . ?
C115 C130 H172 109.5 . . ?
C115 C130 H173 109.5 . . ?
H172 C130 H173 109.5 . . ?
C115 C130 H174 109.5 . . ?
H172 C130 H174 109.5 . . ?
H173 C130 H174 109.5 . . ?
C104 C131 C132 113.1(7) . . ?
C104 C131 H175 109.0 . . ?
C132 C131 H175 109.0 . . ?
C104 C131 H176 109.0 . . ?
C132 C131 H176 109.0 . . ?
H175 C131 H176 107.8 . . ?
C131 C132 C146 111.4(8) . . ?
C131 C132 H177 109.4 . . ?
C146 C132 H177 109.4 . . ?
C131 C132 H178 109.4 . . ?
C146 C132 H178 109.4 . . ?
H177 C132 H178 108.0 . . ?
C141 C133 C100 121.5(8) . . ?
C141 C133 H179 107.0 . . ?
C100 C133 H179 107.0 . . ?
C141 C133 H180 107.0 . . ?
C100 C133 H180 107.0 . . ?
H179 C133 H180 106.7 . . ?
C139 C134 H210 109.5 . . ?
C139 C134 H211 109.5 . . ?
H210 C134 H211 109.5 . . ?
C139 C134 H212 109.5 . . ?
H210 C134 H212 109.5 . . ?
H211 C134 H212 109.5 . . ?
C144 C135 C143 113.1(9) . . ?
C144 C135 H183 109.0 . . ?
C143 C135 H183 109.0 . . ?
C144 C135 H184 109.0 . . ?
C143 C135 H184 109.0 . . ?
H183 C135 H184 107.8 . . ?
C140 C136 H185 109.5 . . ?
C140 C136 H186 109.5 . . ?
H185 C136 H186 109.5 . . ?
C140 C136 H187 109.5 . . ?
H185 C136 H187 109.5 . . ?
H186 C136 H187 109.5 . . ?
S1 C137 H188 109.5 . . ?
S1 C137 H189 109.5 . . ?
H188 C137 H189 109.5 . . ?
S1 C137 H190 109.5 . . ?
H188 C137 H190 109.5 . . ?
H189 C137 H190 109.5 . . ?
C141 C138 H191 109.5 . . ?
C141 C138 H192 109.5 . . ?
H191 C138 H192 109.5 . . ?
C141 C138 H193 109.5 . . ?
H191 C138 H193 109.5 . . ?
H192 C138 H193 109.5 . . ?
C134 C139 C112 111.0(7) . . ?
C134 C139 H194 109.4 . . ?
C112 C139 H194 109.4 . . ?
C134 C139 H195 109.4 . . ?
C112 C139 H195 109.4 . . ?
H194 C139 H195 108.0 . . ?
C127 C140 C136 113.2(8) . . ?
C127 C140 H196 108.9 . . ?
C136 C140 H196 108.9 . . ?
C127 C140 H197 108.9 . . ?
C136 C140 H197 108.9 . . ?
H196 C140 H197 107.7 . . ?
C133 C141 C138 124.2(8) . . ?
C133 C141 H198 106.3 . . ?
C138 C141 H198 106.3 . . ?
C133 C141 H199 106.3 . . ?
C138 C141 H199 106.3 . . ?
H198 C141 H199 106.4 . . ?
C123 C142 C126 112.3(7) . . ?
C123 C142 H200 109.1 . . ?
C126 C142 H200 109.1 . . ?
C123 C142 H201 109.1 . . ?
C126 C142 H201 109.1 . . ?
H200 C142 H201 107.9 . . ?
C145 C143 C135 110.9(12) . . ?
C145 C143 H202 124.5 . . ?
C135 C143 H202 124.5 . . ?
O16 C144 C135 112.7(8) . . ?
O16 C144 H203 109.1 . . ?
C135 C144 H203 109.1 . . ?
O16 C144 H204 109.1 . . ?
C135 C144 H204 109.1 . . ?
H203 C144 H204 107.8 . . ?
C143 C145 H205 120.0 . . ?
C143 C145 H206 120.0 . . ?
H205 C145 H206 120.0 . . ?
C132 C146 H207 109.5 . . ?
C132 C146 H208 109.5 . . ?
H207 C146 H208 109.5 . . ?
C132 C146 H209 109.5 . . ?
H207 C146 H209 109.5 . . ?
H208 C146 H209 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 N9 2.419(4) . ?
Tb1 N2 2.423(5) . ?
Tb1 N11 2.428(4) . ?
Tb1 N12 2.433(4) . ?
Tb1 N5 2.440(4) . ?
Tb1 N1 2.451(4) . ?
Tb1 N16 2.455(4) . ?
Tb1 N8 2.456(4) . ?
S1 O17 1.423(7) . ?
S1 C137 1.826(9) . ?
S1 C124 1.840(10) . ?
O1 C28 1.365(6) . ?
O1 C66 1.438(7) . ?
N1 C1 1.359(7) . ?
N1 C14 1.377(7) . ?
O2 C44 1.378(6) . ?
O2 C72 1.422(7) . ?
O3 C43 1.370(6) . ?
O3 C49 1.445(7) . ?
O4 C63 1.368(7) . ?
O4 C74 1.440(7) . ?
N2 C13 1.370(7) . ?
N2 C2 1.385(7) . ?
N3 C1 1.325(7) . ?
N3 C5 1.329(7) . ?
O5 C52 1.361(6) . ?
O5 C81 1.427(7) . ?
N4 C31 1.334(7) . ?
N4 C18 1.338(7) . ?
N5 C16 1.366(7) . ?
N5 C25 1.387(7) . ?
N6 C23 1.332(7) . ?
N6 C13 1.346(7) . ?
O6 C65 1.357(6) . ?
O6 C84 1.435(6) . ?
O7 C95 1.371(7) . ?
O7 C88 1.411(7) . ?
N7 C8 1.321(7) . ?
N7 C25 1.338(7) . ?
O8 C57 1.363(7) . ?
O8 C106 1.426(7) . ?
N8 C23 1.360(7) . ?
N8 C5 1.363(7) . ?
N9 C4 1.355(7) . ?
N9 C31 1.381(7) . ?
N10 C26 1.332(7) . ?
N10 C2 1.338(7) . ?
O9 C27 1.387(7) . ?
O9 C116 1.446(8) . ?
O10 C61 1.373(7) . ?
O10 C102 1.431(8) . ?
N11 C33 1.353(7) . ?
N11 C8 1.381(7) . ?
O11 C46 1.368(7) . ?
O11 C78 1.434(7) . ?
O12 C62 1.359(7) . ?
O12 C104 1.433(8) . ?
N12 C26 1.372(7) . ?
N12 C10 1.384(7) . ?
N13 C10 1.330(7) . ?
N13 C14 1.337(7) . ?
O13 C73 1.370(7) . ?
O13 C93 1.432(7) . ?
O14 C51 1.384(7) . ?
O14 C100 1.429(7) . ?
O15 C48 1.366(7) . ?
O15 C94 1.439(7) . ?
N14 C32 1.324(7) . ?
N14 C16 1.338(7) . ?
N15 C4 1.336(7) . ?
N15 C33 1.343(7) . ?
N16 C32 1.362(7) . ?
N16 C18 1.374(7) . ?
O16 C144 1.371(10) . ?
O16 C56 1.373(7) . ?
C1 C29 1.470(8) . ?
C2 C11 1.449(8) . ?
N17 C111 1.509(8) . ?
N17 C79 1.517(7) . ?
N17 C68 1.527(8) . ?
N17 C82 1.544(8) . ?
C3 C15 1.384(7) . ?
C3 C34 1.394(8) . ?
C3 C16 1.455(7) . ?
C4 C9 1.474(7) . ?
C5 C6 1.470(7) . ?
C6 C35 1.384(8) . ?
C6 C38 1.385(7) . ?
C7 C29 1.381(7) . ?
C7 C17 1.402(8) . ?
C7 C14 1.459(7) . ?
C8 C24 1.474(7) . ?
C9 C55 1.383(8) . ?
C9 C19 1.383(8) . ?
C10 C12 1.454(7) . ?
C11 C22 1.393(7) . ?
C11 C64 1.396(8) . ?
C12 C21 1.384(8) . ?
C12 C60 1.387(8) . ?
C13 C22 1.444(7) . ?
C15 C50 1.400(8) . ?
C15 C25 1.445(7) . ?
C17 C27 1.361(8) . ?
C17 H17 0.9300 . ?
C18 C20 1.447(7) . ?
C19 C53 1.399(8) . ?
C19 C31 1.452(8) . ?
C20 C30 1.395(8) . ?
C20 C47 1.404(8) . ?
C21 C40 1.393(7) . ?
C21 C26 1.473(7) . ?
C22 C58 1.394(8) . ?
C23 C35 1.472(7) . ?
C24 C42 1.385(7) . ?
C24 C41 1.391(7) . ?
C27 C62 1.420(8) . ?
C28 C34 1.388(8) . ?
C28 C51 1.422(8) . ?
C29 C45 1.384(8) . ?
C30 C37 1.388(8) . ?
C30 C32 1.472(8) . ?
C33 C42 1.456(7) . ?
C34 H34 0.9300 . ?
C35 C54 1.393(8) . ?
C36 C79 1.524(8) . ?
C36 C59 1.530(8) . ?
C36 H36 0.9700 . ?
C36 H36A 0.9700 . ?
C37 C61 1.405(8) . ?
C37 H37 0.9300 . ?
C38 C73 1.375(8) . ?
C38 H38 0.9300 . ?
C39 C42 1.377(8) . ?
C39 C63 1.392(8) . ?
C39 H39 0.9300 . ?
C40 C65 1.381(8) . ?
C40 H40 0.9300 . ?
C41 C43 1.375(8) . ?
C41 H41 0.9300 . ?
C43 C63 1.421(8) . ?
C44 C55 1.377(8) . ?
C44 C46 1.424(8) . ?
C45 C62 1.389(8) . ?
C45 H45 0.9300 . ?
C46 C53 1.369(8) . ?
C47 C95 1.391(8) . ?
C47 H47 0.9300 . ?
C48 C64 1.397(8) . ?
C48 C56 1.423(8) . ?
C49 C71 1.506(8) . ?
C49 H49 0.9700 . ?
C49 H49A 0.9700 . ?
C50 C51 1.374(8) . ?
C50 H50 0.9300 . ?
C52 C60 1.386(8) . ?
C52 C65 1.423(8) . ?
C53 H53 0.9300 . ?
C54 C57 1.397(8) . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
C56 C58 1.375(8) . ?
C57 C73 1.419(8) . ?
C58 H58 0.9300 . ?
C59 C87 1.529(9) . ?
C59 H59 0.9700 . ?
C59 H59A 0.9700 . ?
C60 H60 0.9300 . ?
C61 C95 1.404(8) . ?
C64 H64 0.9300 . ?
C66 C97 1.519(8) . ?
C66 H66 0.9700 . ?
C66 H66A 0.9700 . ?
C67 C84 1.501(7) . ?
C67 C86 1.506(8) . ?
C67 H67 0.9700 . ?
C67 H67A 0.9700 . ?
C68 C69 1.514(9) . ?
C68 H68 0.9700 . ?
C68 H68A 0.9700 . ?
C69 C120 1.507(9) . ?
C69 H69 0.9700 . ?
C69 H69A 0.9700 . ?
C70 C89 1.506(9) . ?
C70 C81 1.515(8) . ?
C70 H70 0.9700 . ?
C70 H70A 0.9700 . ?
C71 C80 1.519(8) . ?
C71 H71 0.9700 . ?
C71 H71A 0.9700 . ?
C72 C77 1.518(8) . ?
C72 H72 0.9700 . ?
C72 H72A 0.9700 . ?
C74 C91 1.501(8) . ?
C74 H74 0.9700 . ?
C74 H74A 0.9700 . ?
C75 C121 1.493(10) . ?
C75 C82 1.563(9) . ?
C75 H75 0.9700 . ?
C75 H75A 0.9700 . ?
C76 C92 1.491(9) . ?
C76 C103 1.533(9) . ?
C76 H76 0.9700 . ?
C76 H76A 0.9700 . ?
C77 C98 1.520(8) . ?
C77 H77 0.9700 . ?
C77 H77A 0.9700 . ?
C78 C85 1.511(8) . ?
C78 H78 0.9700 . ?
C78 H78A 0.9700 . ?
C79 H79 0.9700 . ?
C79 H79A 0.9700 . ?
C80 C110 1.516(9) . ?
C80 H80 0.9700 . ?
C80 H80A 0.9700 . ?
C81 H81 0.9700 . ?
C81 H81A 0.9700 . ?
C82 H82 0.9700 . ?
C82 H82A 0.9700 . ?
C83 C94 1.510(9) . ?
C83 C105 1.516(9) . ?
C83 H83 0.9700 . ?
C83 H83A 0.9700 . ?
C84 H84 0.9700 . ?
C84 H84A 0.9700 . ?
C85 C118 1.527(9) . ?
C85 H85 0.9700 . ?
C85 H85A 0.9700 . ?
C86 C90 1.523(8) . ?
C86 H86 0.9700 . ?
C86 H86A 0.9700 . ?
C87 H87 0.9600 . ?
C87 H87A 0.9600 . ?
C87 H87B 0.9600 . ?
C88 C112 1.514(8) . ?
C88 H88 0.9700 . ?
C88 H88A 0.9700 . ?
C89 C109 1.509(8) . ?
C89 H89 0.9700 . ?
C89 H89A 0.9700 . ?
C90 H90 0.9600 . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C91 C108 1.483(9) . ?
C91 H91 0.9700 . ?
C91 H91A 0.9700 . ?
C92 C93 1.526(8) . ?
C92 H92 0.9700 . ?
C92 H92A 0.9700 . ?
C93 H93 0.9700 . ?
C93 H93A 0.9700 . ?
C94 H94 0.9700 . ?
C94 H94A 0.9700 . ?
C96 C98 1.527(8) . ?
C96 H96 0.9600 . ?
C96 H96A 0.9600 . ?
C96 H96B 0.9600 . ?
C97 C99 1.538(9) . ?
C97 H97 0.9700 . ?
C97 H97A 0.9700 . ?
C98 H98 0.9700 . ?
C98 H98A 0.9700 . ?
C99 C122 1.499(10) . ?
C99 H99 0.9700 . ?
C99 H99A 0.9700 . ?
C100 C133 1.483(9) . ?
C100 H100 0.9700 . ?
C100 H101 0.9700 . ?
C101 C113 1.510(10) . ?
C101 C106 1.529(8) . ?
C101 H102 0.9700 . ?
C101 H103 0.9700 . ?
C102 C127 1.496(11) . ?
C102 H104 0.9700 . ?
C102 H105 0.9700 . ?
C103 H106 0.9600 . ?
C103 H107 0.9600 . ?
C103 H108 0.9600 . ?
C104 C131 1.511(9) . ?
C104 H109 0.9700 . ?
C104 H110 0.9700 . ?
C105 C119 1.521(9) . ?
C105 H111 0.9700 . ?
C105 H112 0.9700 . ?
C106 H113 0.9700 . ?
C106 H114 0.9700 . ?
C107 C108 1.535(9) . ?
C107 H115 0.9600 . ?
C107 H116 0.9600 . ?
C107 H117 0.9600 . ?
C108 H118 0.9700 . ?
C108 H119 0.9700 . ?
C109 H120 0.9600 . ?
C109 H121 0.9600 . ?
C109 H122 0.9600 . ?
C110 H123 0.9600 . ?
C110 H124 0.9600 . ?
C110 H125 0.9600 . ?
C111 C123 1.502(10) . ?
C111 H126 0.9700 . ?
C111 H127 0.9700 . ?
C112 C139 1.654(13) . ?
C112 H128 0.9700 . ?
C112 H129 0.9700 . ?
C113 C125 1.474(12) . ?
C113 H130 0.9700 . ?
C113 H131 0.9700 . ?
C114 C116 1.496(9) . ?
C114 C115 1.513(10) . ?
C114 H132 0.9700 . ?
C114 H133 0.9700 . ?
C115 C130 1.506(10) . ?
C115 H134 0.9700 . ?
C115 H135 0.9700 . ?
C116 H136 0.9700 . ?
C116 H137 0.9700 . ?
C117 C121 1.548(10) . ?
C117 H138 0.9600 . ?
C117 H139 0.9600 . ?
C117 H140 0.9600 . ?
C118 C128 1.506(9) . ?
C118 H141 0.9700 . ?
C118 H142 0.9700 . ?
C119 H143 0.9600 . ?
C119 H144 0.9600 . ?
C119 H145 0.9600 . ?
C120 C129 1.505(10) . ?
C120 H146 0.9700 . ?
C120 H147 0.9700 . ?
C121 H148 0.9700 . ?
C121 H149 0.9700 . ?
C122 H150 0.9600 . ?
C122 H151 0.9600 . ?
C122 H152 0.9600 . ?
C123 C142 1.502(11) . ?
C123 H153 0.9700 . ?
C123 H154 0.9700 . ?
C124 H155 0.9600 . ?
C124 H156 0.9600 . ?
C124 H157 0.9600 . ?
C125 H158 0.9600 . ?
C125 H159 0.9600 . ?
C125 H160 0.9600 . ?
C126 C142 1.541(10) . ?
C126 H161 0.9600 . ?
C126 H162 0.9600 . ?
C126 H163 0.9600 . ?
C127 C140 1.465(12) . ?
C127 H164 0.9700 . ?
C127 H165 0.9700 . ?
C128 H166 0.9600 . ?
C128 H167 0.9600 . ?
C128 H168 0.9600 . ?
C129 H169 0.9600 . ?
C129 H170 0.9600 . ?
C129 H171 0.9600 . ?
C130 H172 0.9600 . ?
C130 H173 0.9600 . ?
C130 H174 0.9600 . ?
C131 C132 1.523(12) . ?
C131 H175 0.9700 . ?
C131 H176 0.9700 . ?
C132 C146 1.555(13) . ?
C132 H177 0.9700 . ?
C132 H178 0.9700 . ?
C133 C141 1.391(9) . ?
C133 H179 0.9700 . ?
C133 H180 0.9700 . ?
C134 C139 1.441(11) . ?
C134 H210 0.9600 . ?
C134 H211 0.9600 . ?
C134 H212 0.9600 . ?
C135 C144 1.465(12) . ?
C135 C143 1.565(14) . ?
C135 H183 0.9700 . ?
C135 H184 0.9700 . ?
C136 C140 1.560(13) . ?
C136 H185 0.9600 . ?
C136 H186 0.9600 . ?
C136 H187 0.9600 . ?
C137 H188 0.9600 . ?
C137 H189 0.9600 . ?
C137 H190 0.9600 . ?
C138 C141 1.464(10) . ?
C138 H191 0.9600 . ?
C138 H192 0.9600 . ?
C138 H193 0.9600 . ?
C139 H194 0.9700 . ?
C139 H195 0.9700 . ?
C140 H196 0.9700 . ?
C140 H197 0.9700 . ?
C141 H198 0.9700 . ?
C141 H199 0.9700 . ?
C142 H200 0.9700 . ?
C142 H201 0.9700 . ?
C143 C145 1.342(15) . ?
C143 H202 0.9300 . ?
C144 H203 0.9700 . ?
C144 H204 0.9700 . ?
C145 H205 0.9300 . ?
C145 H206 0.9300 . ?
C146 H207 0.9600 . ?
C146 H208 0.9600 . ?
C146 H209 0.9600 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 N3 C1 N1 -2.4(9) . . . . ?
C5 N3 C1 C29 174.9(5) . . . . ?
C14 N1 C1 N3 174.5(6) . . . . ?
Tb1 N1 C1 N3 -34.3(8) . . . . ?
C14 N1 C1 C29 -3.0(6) . . . . ?
Tb1 N1 C1 C29 148.2(4) . . . . ?
C26 N10 C2 N2 2.2(9) . . . . ?
C26 N10 C2 C11 -179.7(5) . . . . ?
C13 N2 C2 N10 173.8(5) . . . . ?
Tb1 N2 C2 N10 -44.2(7) . . . . ?
C13 N2 C2 C11 -4.5(6) . . . . ?
Tb1 N2 C2 C11 137.5(4) . . . . ?
C33 N15 C4 N9 0.2(9) . . . . ?
C33 N15 C4 C9 -174.8(5) . . . . ?
C31 N9 C4 N15 -170.2(5) . . . . ?
Tb1 N9 C4 N15 44.3(7) . . . . ?
C31 N9 C4 C9 5.2(6) . . . . ?
Tb1 N9 C4 C9 -140.3(4) . . . . ?
C1 N3 C5 N8 2.1(9) . . . . ?
C1 N3 C5 C6 -173.3(5) . . . . ?
C23 N8 C5 N3 -172.6(6) . . . . ?
Tb1 N8 C5 N3 34.2(8) . . . . ?
C23 N8 C5 C6 3.3(6) . . . . ?
Tb1 N8 C5 C6 -149.9(3) . . . . ?
N3 C5 C6 C35 174.7(5) . . . . ?
N8 C5 C6 C35 -1.6(6) . . . . ?
N3 C5 C6 C38 -2.6(9) . . . . ?
N8 C5 C6 C38 -178.9(6) . . . . ?
C25 N7 C8 N11 9.5(9) . . . . ?
C25 N7 C8 C24 -166.7(5) . . . . ?
C33 N11 C8 N7 -174.5(5) . . . . ?
Tb1 N11 C8 N7 23.6(8) . . . . ?
C33 N11 C8 C24 2.1(6) . . . . ?
Tb1 N11 C8 C24 -159.8(3) . . . . ?
N15 C4 C9 C55 -10.2(9) . . . . ?
N9 C4 C9 C55 174.0(6) . . . . ?
N15 C4 C9 C19 171.6(5) . . . . ?
N9 C4 C9 C19 -4.2(6) . . . . ?
C14 N13 C10 N12 -5.0(9) . . . . ?
C14 N13 C10 C12 172.7(5) . . . . ?
C26 N12 C10 N13 173.9(5) . . . . ?
Tb1 N12 C10 N13 -36.5(7) . . . . ?
C26 N12 C10 C12 -4.1(6) . . . . ?
Tb1 N12 C10 C12 145.5(4) . . . . ?
N10 C2 C11 C22 -174.7(5) . . . . ?
N2 C2 C11 C22 3.7(6) . . . . ?
N10 C2 C11 C64 10.5(10) . . . . ?
N2 C2 C11 C64 -171.1(6) . . . . ?
N13 C10 C12 C21 -174.0(5) . . . . ?
N12 C10 C12 C21 4.1(6) . . . . ?
N13 C10 C12 C60 5.0(9) . . . . ?
N12 C10 C12 C60 -176.9(6) . . . . ?
C23 N6 C13 N2 0.8(8) . . . . ?
C23 N6 C13 C22 -178.5(5) . . . . ?
C2 N2 C13 N6 -175.8(5) . . . . ?
Tb1 N2 C13 N6 42.4(7) . . . . ?
C2 N2 C13 C22 3.6(6) . . . . ?
Tb1 N2 C13 C22 -138.2(4) . . . . ?
C10 N13 C14 N1 5.0(9) . . . . ?
C10 N13 C14 C7 -170.9(5) . . . . ?
C1 N1 C14 N13 -172.1(5) . . . . ?
Tb1 N1 C14 N13 35.8(7) . . . . ?
C1 N1 C14 C7 4.3(6) . . . . ?
Tb1 N1 C14 C7 -147.9(4) . . . . ?
C29 C7 C14 N13 172.6(5) . . . . ?
C17 C7 C14 N13 -8.6(10) . . . . ?
C29 C7 C14 N1 -3.9(6) . . . . ?
C17 C7 C14 N1 174.9(6) . . . . ?
C34 C3 C15 C50 -0.2(8) . . . . ?
C16 C3 C15 C50 179.4(5) . . . . ?
C34 C3 C15 C25 -179.0(5) . . . . ?
C16 C3 C15 C25 0.6(6) . . . . ?
C32 N14 C16 N5 -0.9(9) . . . . ?
C32 N14 C16 C3 -173.9(5) . . . . ?
C25 N5 C16 N14 -169.1(5) . . . . ?
Tb1 N5 C16 N14 44.3(7) . . . . ?
C25 N5 C16 C3 4.5(6) . . . . ?
Tb1 N5 C16 C3 -142.1(4) . . . . ?
C15 C3 C16 N14 170.8(5) . . . . ?
C34 C3 C16 N14 -9.6(9) . . . . ?
C15 C3 C16 N5 -3.2(6) . . . . ?
C34 C3 C16 N5 176.3(5) . . . . ?
C29 C7 C17 C27 -3.1(9) . . . . ?
C14 C7 C17 C27 178.2(6) . . . . ?
C31 N4 C18 N16 9.9(9) . . . . ?
C31 N4 C18 C20 -167.9(5) . . . . ?
C32 N16 C18 N4 -174.9(6) . . . . ?
Tb1 N16 C18 N4 23.0(8) . . . . ?
C32 N16 C18 C20 3.0(6) . . . . ?
Tb1 N16 C18 C20 -159.0(3) . . . . ?
C55 C9 C19 C53 0.7(9) . . . . ?
C4 C9 C19 C53 179.1(5) . . . . ?
C55 C9 C19 C31 -176.9(5) . . . . ?
C4 C9 C19 C31 1.5(6) . . . . ?
N4 C18 C20 C30 175.6(5) . . . . ?
N16 C18 C20 C30 -2.5(6) . . . . ?
N4 C18 C20 C47 1.6(10) . . . . ?
N16 C18 C20 C47 -176.5(6) . . . . ?
C60 C12 C21 C40 -1.2(8) . . . . ?
C10 C12 C21 C40 177.9(5) . . . . ?
C60 C12 C21 C26 178.5(5) . . . . ?
C10 C12 C21 C26 -2.4(6) . . . . ?
C64 C11 C22 C58 -1.9(9) . . . . ?
C2 C11 C22 C58 -177.4(5) . . . . ?
C64 C11 C22 C13 174.0(5) . . . . ?
C2 C11 C22 C13 -1.4(6) . . . . ?
N6 C13 C22 C11 178.1(5) . . . . ?
N2 C13 C22 C11 -1.3(6) . . . . ?
N6 C13 C22 C58 -6.6(9) . . . . ?
N2 C13 C22 C58 174.0(6) . . . . ?
C13 N6 C23 N8 -5.7(8) . . . . ?
C13 N6 C23 C35 170.7(5) . . . . ?
C5 N8 C23 N6 173.2(5) . . . . ?
Tb1 N8 C23 N6 -33.3(7) . . . . ?
C5 N8 C23 C35 -3.6(6) . . . . ?
Tb1 N8 C23 C35 149.9(3) . . . . ?
N7 C8 C24 C42 176.3(5) . . . . ?
N11 C8 C24 C42 -0.5(6) . . . . ?
N7 C8 C24 C41 1.2(10) . . . . ?
N11 C8 C24 C41 -175.6(6) . . . . ?
C8 N7 C25 N5 1.1(8) . . . . ?
C8 N7 C25 C15 176.6(5) . . . . ?
C16 N5 C25 N7 171.9(5) . . . . ?
Tb1 N5 C25 N7 -42.0(7) . . . . ?
C16 N5 C25 C15 -4.1(6) . . . . ?
Tb1 N5 C25 C15 142.0(4) . . . . ?
C3 C15 C25 N7 -174.1(5) . . . . ?
C50 C15 C25 N7 7.4(10) . . . . ?
C3 C15 C25 N5 2.1(6) . . . . ?
C50 C15 C25 N5 -176.4(6) . . . . ?
C2 N10 C26 N12 4.1(9) . . . . ?
C2 N10 C26 C21 -175.6(5) . . . . ?
C10 N12 C26 N10 -177.1(5) . . . . ?
Tb1 N12 C26 N10 33.3(7) . . . . ?
C10 N12 C26 C21 2.6(6) . . . . ?
Tb1 N12 C26 C21 -146.9(4) . . . . ?
C12 C21 C26 N10 179.7(5) . . . . ?
C40 C21 C26 N10 -0.6(9) . . . . ?
C12 C21 C26 N12 0.0(6) . . . . ?
C40 C21 C26 N12 179.7(6) . . . . ?
C7 C17 C27 O9 174.5(5) . . . . ?
C7 C17 C27 C62 0.0(9) . . . . ?
C116 O9 C27 C17 107.7(7) . . . . ?
C116 O9 C27 C62 -77.7(7) . . . . ?
C66 O1 C28 C34 -0.8(8) . . . . ?
C66 O1 C28 C51 -179.9(5) . . . . ?
C17 C7 C29 C45 3.7(9) . . . . ?
C14 C7 C29 C45 -177.3(6) . . . . ?
C17 C7 C29 C1 -177.0(5) . . . . ?
C14 C7 C29 C1 2.0(6) . . . . ?
N3 C1 C29 C7 -177.2(5) . . . . ?
N1 C1 C29 C7 0.5(6) . . . . ?
N3 C1 C29 C45 2.1(10) . . . . ?
N1 C1 C29 C45 179.8(6) . . . . ?
C47 C20 C30 C37 -0.6(9) . . . . ?
C18 C20 C30 C37 -175.6(5) . . . . ?
C47 C20 C30 C32 175.9(5) . . . . ?
C18 C20 C30 C32 1.0(6) . . . . ?
C18 N4 C31 N9 1.1(9) . . . . ?
C18 N4 C31 C19 177.3(5) . . . . ?
C4 N9 C31 N4 172.4(5) . . . . ?
Tb1 N9 C31 N4 -43.4(7) . . . . ?
C4 N9 C31 C19 -4.2(6) . . . . ?
Tb1 N9 C31 C19 139.9(4) . . . . ?
C9 C19 C31 N4 -175.2(5) . . . . ?
C53 C19 C31 N4 7.5(10) . . . . ?
C9 C19 C31 N9 1.6(6) . . . . ?
C53 C19 C31 N9 -175.6(6) . . . . ?
C16 N14 C32 N16 -10.0(9) . . . . ?
C16 N14 C32 C30 164.8(5) . . . . ?
C18 N16 C32 N14 172.9(6) . . . . ?
Tb1 N16 C32 N14 -24.7(8) . . . . ?
C18 N16 C32 C30 -2.4(6) . . . . ?
Tb1 N16 C32 C30 160.0(3) . . . . ?
C37 C30 C32 N14 1.2(10) . . . . ?
C20 C30 C32 N14 -174.9(5) . . . . ?
C37 C30 C32 N16 176.9(6) . . . . ?
C20 C30 C32 N16 0.8(6) . . . . ?
C4 N15 C33 N11 -11.8(9) . . . . ?
C4 N15 C33 C42 164.2(5) . . . . ?
C8 N11 C33 N15 173.5(5) . . . . ?
Tb1 N11 C33 N15 -24.1(8) . . . . ?
C8 N11 C33 C42 -2.8(6) . . . . ?
Tb1 N11 C33 C42 159.6(3) . . . . ?
O1 C28 C34 C3 -178.8(5) . . . . ?
C51 C28 C34 C3 0.3(8) . . . . ?
C15 C3 C34 C28 0.4(8) . . . . ?
C16 C3 C34 C28 -179.0(5) . . . . ?
C38 C6 C35 C54 -0.6(9) . . . . ?
C5 C6 C35 C54 -178.1(5) . . . . ?
C38 C6 C35 C23 177.0(5) . . . . ?
C5 C6 C35 C23 -0.5(6) . . . . ?
N6 C23 C35 C6 -174.4(5) . . . . ?
N8 C23 C35 C6 2.5(6) . . . . ?
N6 C23 C35 C54 2.7(10) . . . . ?
N8 C23 C35 C54 179.7(6) . . . . ?
C20 C30 C37 C61 0.4(9) . . . . ?
C32 C30 C37 C61 -175.1(6) . . . . ?
C35 C6 C38 C73 1.2(9) . . . . ?
C5 C6 C38 C73 178.1(6) . . . . ?
C12 C21 C40 C65 0.2(8) . . . . ?
C26 C21 C40 C65 -179.5(6) . . . . ?
C42 C24 C41 C43 0.5(8) . . . . ?
C8 C24 C41 C43 175.0(6) . . . . ?
C63 C39 C42 C24 1.6(9) . . . . ?
C63 C39 C42 C33 -174.7(6) . . . . ?
C41 C24 C42 C39 -2.5(9) . . . . ?
C8 C24 C42 C39 -178.2(5) . . . . ?
C41 C24 C42 C33 174.7(5) . . . . ?
C8 C24 C42 C33 -1.1(6) . . . . ?
N15 C33 C42 C39 2.5(10) . . . . ?
N11 C33 C42 C39 179.2(6) . . . . ?
N15 C33 C42 C24 -174.2(5) . . . . ?
N11 C33 C42 C24 2.5(6) . . . . ?
C49 O3 C43 C41 5.5(9) . . . . ?
C49 O3 C43 C63 -173.6(5) . . . . ?
C24 C41 C43 O3 -176.8(5) . . . . ?
C24 C41 C43 C63 2.3(9) . . . . ?
C72 O2 C44 C55 4.1(8) . . . . ?
C72 O2 C44 C46 -174.7(5) . . . . ?
C7 C29 C45 C62 -1.0(9) . . . . ?
C1 C29 C45 C62 179.9(6) . . . . ?
C78 O11 C46 C53 -14.8(9) . . . . ?
C78 O11 C46 C44 165.6(5) . . . . ?
C55 C44 C46 O11 -176.7(5) . . . . ?
O2 C44 C46 O11 2.2(8) . . . . ?
C55 C44 C46 C53 3.6(9) . . . . ?
O2 C44 C46 C53 -177.5(5) . . . . ?
C30 C20 C47 C95 -0.3(9) . . . . ?
C18 C20 C47 C95 173.1(6) . . . . ?
C94 O15 C48 C64 3.6(10) . . . . ?
C94 O15 C48 C56 -173.2(6) . . . . ?
C43 O3 C49 C71 175.3(5) . . . . ?
C3 C15 C50 C51 -0.8(9) . . . . ?
C25 C15 C50 C51 177.6(6) . . . . ?
C15 C50 C51 O14 -179.3(6) . . . . ?
C15 C50 C51 C28 1.6(9) . . . . ?
C100 O14 C51 C50 -1.8(10) . . . . ?
C100 O14 C51 C28 177.4(6) . . . . ?
O1 C28 C51 C50 177.8(6) . . . . ?
C34 C28 C51 C50 -1.4(9) . . . . ?
O1 C28 C51 O14 -1.4(8) . . . . ?
C34 C28 C51 O14 179.4(5) . . . . ?
C81 O5 C52 C60 0.9(8) . . . . ?
C81 O5 C52 C65 -177.7(5) . . . . ?
O11 C46 C53 C19 179.2(5) . . . . ?
C44 C46 C53 C19 -1.2(9) . . . . ?
C9 C19 C53 C46 -0.9(8) . . . . ?
C31 C19 C53 C46 176.1(6) . . . . ?
C6 C35 C54 C57 -0.9(8) . . . . ?
C23 C35 C54 C57 -177.8(6) . . . . ?
O2 C44 C55 C9 177.5(5) . . . . ?
C46 C44 C55 C9 -3.7(9) . . . . ?
C19 C9 C55 C44 1.6(9) . . . . ?
C4 C9 C55 C44 -176.4(6) . . . . ?
C144 O16 C56 C58 113.2(8) . . . . ?
C144 O16 C56 C48 -71.0(9) . . . . ?
O15 C48 C56 O16 -0.3(9) . . . . ?
C64 C48 C56 O16 -177.2(6) . . . . ?
O15 C48 C56 C58 175.5(6) . . . . ?
C64 C48 C56 C58 -1.4(10) . . . . ?
C106 O8 C57 C54 6.9(9) . . . . ?
C106 O8 C57 C73 -175.3(5) . . . . ?
C35 C54 C57 O8 179.5(5) . . . . ?
C35 C54 C57 C73 1.8(9) . . . . ?
O16 C56 C58 C22 174.3(6) . . . . ?
C48 C56 C58 C22 -1.5(9) . . . . ?
C11 C22 C58 C56 3.1(9) . . . . ?
C13 C22 C58 C56 -171.6(6) . . . . ?
C79 C36 C59 C87 -179.2(5) . . . . ?
O5 C52 C60 C12 -177.1(5) . . . . ?
C65 C52 C60 C12 1.4(8) . . . . ?
C21 C12 C60 C52 0.4(8) . . . . ?
C10 C12 C60 C52 -178.5(5) . . . . ?
C102 O10 C61 C95 174.1(6) . . . . ?
C102 O10 C61 C37 -6.2(10) . . . . ?
C30 C37 C61 O10 -179.0(6) . . . . ?
C30 C37 C61 C95 0.7(9) . . . . ?
C104 O12 C62 C45 -5.5(10) . . . . ?
C104 O12 C62 C27 175.5(6) . . . . ?
C29 C45 C62 O12 178.9(6) . . . . ?
C29 C45 C62 C27 -2.1(9) . . . . ?
C17 C27 C62 O12 -178.3(6) . . . . ?
O9 C27 C62 O12 7.2(9) . . . . ?
C17 C27 C62 C45 2.6(10) . . . . ?
O9 C27 C62 C45 -171.9(6) . . . . ?
C74 O4 C63 C39 3.9(9) . . . . ?
C74 O4 C63 C43 -175.0(5) . . . . ?
C42 C39 C63 O4 -177.7(5) . . . . ?
C42 C39 C63 C43 1.2(9) . . . . ?
O3 C43 C63 O4 -5.0(8) . . . . ?
C41 C43 C63 O4 175.8(5) . . . . ?
O3 C43 C63 C39 176.0(5) . . . . ?
C41 C43 C63 C39 -3.2(9) . . . . ?
C22 C11 C64 C48 -0.9(9) . . . . ?
C2 C11 C64 C48 173.2(6) . . . . ?
O15 C48 C64 C11 -174.0(6) . . . . ?
C56 C48 C64 C11 2.5(9) . . . . ?
C84 O6 C65 C40 -1.9(8) . . . . ?
C84 O6 C65 C52 177.7(5) . . . . ?
C21 C40 C65 O6 -178.8(5) . . . . ?
C21 C40 C65 C52 1.7(8) . . . . ?
O5 C52 C65 O6 -3.4(7) . . . . ?
C60 C52 C65 O6 177.9(5) . . . . ?
O5 C52 C65 C40 176.2(5) . . . . ?
C60 C52 C65 C40 -2.5(8) . . . . ?
C28 O1 C66 C97 164.2(5) . . . . ?
C111 N17 C68 C69 169.9(5) . . . . ?
C79 N17 C68 C69 -67.7(7) . . . . ?
C82 N17 C68 C69 48.4(7) . . . . ?
N17 C68 C69 C120 174.6(5) . . . . ?
O3 C49 C71 C80 -170.3(5) . . . . ?
C44 O2 C72 C77 179.5(5) . . . . ?
C93 O13 C73 C38 -7.2(8) . . . . ?
C93 O13 C73 C57 172.2(5) . . . . ?
C6 C38 C73 O13 179.1(5) . . . . ?
C6 C38 C73 C57 -0.3(9) . . . . ?
O8 C57 C73 O13 1.4(7) . . . . ?
C54 C57 C73 O13 179.3(5) . . . . ?
O8 C57 C73 C38 -179.2(5) . . . . ?
C54 C57 C73 C38 -1.2(9) . . . . ?
C63 O4 C74 C91 176.4(5) . . . . ?
O2 C72 C77 C98 -57.0(7) . . . . ?
C46 O11 C78 C85 -167.5(5) . . . . ?
C111 N17 C79 C36 59.3(7) . . . . ?
C68 N17 C79 C36 -60.6(7) . . . . ?
C82 N17 C79 C36 -179.3(5) . . . . ?
C59 C36 C79 N17 -173.7(5) . . . . ?
C49 C71 C80 C110 -178.0(6) . . . . ?
C52 O5 C81 C70 178.6(5) . . . . ?
C89 C70 C81 O5 62.5(7) . . . . ?
C111 N17 C82 C75 -64.5(8) . . . . ?
C79 N17 C82 C75 174.1(6) . . . . ?
C68 N17 C82 C75 54.4(7) . . . . ?
C121 C75 C82 N17 96.4(7) . . . . ?
C65 O6 C84 C67 -173.7(5) . . . . ?
C86 C67 C84 O6 -176.5(5) . . . . ?
O11 C78 C85 C118 60.3(7) . . . . ?
C84 C67 C86 C90 -179.2(5) . . . . ?
C95 O7 C88 C112 171.8(6) . . . . ?
C81 C70 C89 C109 175.9(6) . . . . ?
O4 C74 C91 C108 -69.5(7) . . . . ?
C103 C76 C92 C93 176.3(6) . . . . ?
C73 O13 C93 C92 -178.2(5) . . . . ?
C76 C92 C93 O13 63.4(7) . . . . ?
C48 O15 C94 C83 170.0(6) . . . . ?
C105 C83 C94 O15 175.4(6) . . . . ?
C88 O7 C95 C47 4.3(9) . . . . ?
C88 O7 C95 C61 -176.2(6) . . . . ?
C20 C47 C95 O7 -179.0(5) . . . . ?
C20 C47 C95 C61 1.5(9) . . . . ?
O10 C61 C95 O7 -1.6(8) . . . . ?
C37 C61 C95 O7 178.7(6) . . . . ?
O10 C61 C95 C47 178.0(6) . . . . ?
C37 C61 C95 C47 -1.7(10) . . . . ?
O1 C66 C97 C99 51.7(7) . . . . ?
C72 C77 C98 C96 -179.4(5) . . . . ?
C66 C97 C99 C122 64.9(7) . . . . ?
C51 O14 C100 C133 178.9(8) . . . . ?
C61 O10 C102 C127 -75.7(8) . . . . ?
C62 O12 C104 C131 -165.2(6) . . . . ?
C94 C83 C105 C119 177.1(7) . . . . ?
C57 O8 C106 C101 179.7(5) . . . . ?
C113 C101 C106 O8 -53.3(8) . . . . ?
C74 C91 C108 C107 -167.3(6) . . . . ?
C79 N17 C111 C123 56.0(7) . . . . ?
C68 N17 C111 C123 178.0(6) . . . . ?
C82 N17 C111 C123 -61.8(8) . . . . ?
O7 C88 C112 C139 -160.9(7) . . . . ?
C106 C101 C113 C125 -61.1(9) . . . . ?
C116 C114 C115 C130 -172.6(7) . . . . ?
C27 O9 C116 C114 173.3(5) . . . . ?
C115 C114 C116 O9 58.9(8) . . . . ?
C78 C85 C118 C128 172.0(6) . . . . ?
C68 C69 C120 C129 175.2(6) . . . . ?
C82 C75 C121 C117 162.8(6) . . . . ?
N17 C111 C123 C142 -90.3(8) . . . . ?
O10 C102 C127 C140 -77.8(9) . . . . ?
O12 C104 C131 C132 76.6(8) . . . . ?
C104 C131 C132 C146 78.4(9) . . . . ?
O14 C100 C133 C141 37.4(15) . . . . ?
C88 C112 C139 C134 168.6(9) . . . . ?
C102 C127 C140 C136 -79.4(11) . . . . ?
C100 C133 C141 C138 169.2(11) . . . . ?
C111 C123 C142 C126 -170.4(7) . . . . ?
C144 C135 C143 C145 -71.7(15) . . . . ?
C56 O16 C144 C135 -166.8(9) . . . . ?
C143 C135 C144 O16 -158.1(10) . . . . ?
