#------------------------------------------------------------------------------
#$Date: 2019-08-27 09:54:54 +0300 (Tue, 27 Aug 2019) $
#$Revision: 217739 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/34/7233479.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_7233479
loop_
_publ_author_name
'Zhi-Fa Liu'
'Mei-Feng Wu'
'Shuai-Hua Wang'
'Fa-Kun Zheng'
'Guan-E. Wang'
'Jun Chen'
'Yu Xiao'
'A-Qing Wu'
'Guo-Cong Guo'
'Jin-Shun Huang'
_publ_section_title
;
 Eu3+-doped Tb3+ metal-organic frameworks emitting tunable three primary
 colors towards white light
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              4634
_journal_page_last               4639
_journal_paper_doi               10.1039/C3TC30733F
_journal_volume                  1
_journal_year                    2013
_chemical_formula_moiety         C140H135N40O47Tb5Zn2
_chemical_formula_sum            'C140 H135 N40 O47 Tb5 Zn2'
_chemical_formula_weight         4055.31
_chemical_melting_point          ?
_chemical_name_common            C140H135N40O47Tb5Zn2
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                94.335(12)
_cell_angle_beta                 96.686(9)
_cell_angle_gamma                113.976(5)
_cell_formula_units_Z            1
_cell_length_a                   12.973(3)
_cell_length_b                   14.046(5)
_cell_length_c                   23.376(6)
_cell_measurement_reflns_used    9255
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4971
_cell_measurement_theta_min      2.0386
_cell_volume                     3829.9(19)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.956
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0527
_diffrn_reflns_av_sigmaI/netI    0.0818
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            24316
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    2.682
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7329
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sphere (Rigaku CrystalClear)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.758
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             2016
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.06
_refine_diff_density_max         3.132
_refine_diff_density_min         -2.761
_refine_diff_density_rms         0.172
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.995
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1153
_refine_ls_number_reflns         12918
_refine_ls_number_restraints     177
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0900
_refine_ls_R_factor_gt           0.0756
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0811P)²+49.1096P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1786
_refine_ls_wR_factor_ref         0.1905
_reflns_number_gt                10672
_reflns_number_total             12918
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            J-Mater-Chem-C-2013-1-4634-2.cif
_cod_data_source_block           a2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'not measured' was changed
to '?' -- the value is undefined or not given.

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7233479
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.41187(4) 0.44721(3) 0.790349(17) 0.03442(12) Uani 1 1 d U . .
Zn1 Zn -0.29809(9) 0.30242(9) 0.01260(4) 0.0373(3) Uani 1 1 d . . .
O1W O -0.1438(8) 1.0342(7) 0.9998(4) 0.087(3) Uani 1 1 d DU . .
H1WA H -0.157(5) 1.031(3) 1.0334(9) 0.104 Uiso 1 1 d D . .
H1WB H -0.1482(16) 1.0870(13) 0.9890(19) 0.104 Uiso 1 1 d D . .
O2W O 0.1966(10) 1.1507(9) 1.1069(6) 0.149(5) Uani 1 1 d DU . .
H2WA H 0.203(4) 1.099(2) 1.119(3) 0.179 Uiso 1 1 d D . .
H2WB H 0.256(3) 1.188(5) 1.096(3) 0.179 Uiso 1 1 d D . .
O3W O 0.0542(14) 0.9230(12) 1.1210(7) 0.0720(14) Uani 0.50 1 d PDU . .
H3WA H 0.001(6) 0.869(6) 1.104(7) 0.086 Uiso 0.50 1 d PD . .
O4W O -0.0561(8) 1.0511(7) 1.1358(4) 0.093(3) Uani 1 1 d DU . .
H4WA H -0.1170(15) 1.053(3) 1.141(4) 0.112 Uiso 1 1 d D . .
H4WB H -0.007(3) 1.111(2) 1.136(5) 0.112 Uiso 1 1 d D . .
O5WA O 0.1001(16) 1.1452(11) 0.9966(5) 0.080(3) Uani 0.50 1 d PDU . 1
H5WA H 0.095(18) 1.117(3) 1.0264(11) 0.096 Uiso 0.50 1 d PD A 1
H5WB H 0.084(12) 1.100(4) 0.9684(17) 0.096 Uiso 0.50 1 d PD B 1
O5WB O 0.0228(11) 1.1997(13) 1.0371(6) 0.080(3) Uani 0.50 1 d PDU . 2
H5WC H 0.049(2) 1.222(4) 1.0081(9) 0.096 Uiso 0.50 1 d PD C 2
H5WD H 0.076(3) 1.206(9) 1.063(2) 0.096 Uiso 0.50 1 d PD D 2
O6W O 0.4946(6) 0.3538(5) 0.8540(3) 0.0491(18) Uani 1 1 d D . .
H6WA H 0.480(5) 0.2910(11) 0.853(3) 0.059 Uiso 1 1 d D . .
H6WB H 0.539(4) 0.386(4) 0.8841(14) 0.059 Uiso 1 1 d D . .
O7W O 0.2646(6) 0.3106(5) 0.8292(3) 0.054(2) Uani 1 1 d D . .
H7WA H 0.219(3) 0.2532(19) 0.812(2) 0.065 Uiso 1 1 d D . .
H7WB H 0.317(2) 0.305(3) 0.850(2) 0.065 Uiso 1 1 d D . .
O8W O 0.5296(7) 0.5651(6) 0.8735(3) 0.075(2) Uani 1 1 d D . .
H8WA H 0.519(2) 0.611(3) 0.892(3) 0.090 Uiso 1 1 d D . .
H8WB H 0.5965(16) 0.587(4) 0.868(3) 0.090 Uiso 1 1 d D . .
O9W O 0.2999(6) 0.5183(5) 0.8462(3) 0.060(2) Uani 1 1 d D . .
H9WA H 0.240(2) 0.4648(18) 0.841(4) 0.072 Uiso 1 1 d D . .
H9WB H 0.288(3) 0.568(2) 0.836(4) 0.072 Uiso 1 1 d D . .
O10W O 0.2284(5) 0.4044(5) 0.7201(3) 0.0465(17) Uani 1 1 d D . .
H10A H 0.257(4) 0.458(2) 0.7048(18) 0.056 Uiso 1 1 d D . .
H10B H 0.1616(16) 0.372(4) 0.704(2) 0.056 Uiso 1 1 d D . .
O11 O 0.4376(6) 0.6065(5) 0.7651(3) 0.0494(17) Uani 1 1 d U . .
O11W O 0.6479(7) 0.6280(6) 0.5910(3) 0.064(2) Uani 1 1 d D . .
H11D H 0.702(3) 0.685(2) 0.603(2) 0.077 Uiso 1 1 d D . .
H11E H 0.658(4) 0.608(5) 0.5590(14) 0.077 Uiso 1 1 d D . .
O12 O 0.4524(7) 0.6039(6) 0.6731(3) 0.0593(11) Uani 1 1 d U . .
O12W O 0.2838(13) 0.2686(15) 0.9374(10) 0.277(9) Uani 1 1 d DU . .
H12A H 0.228(2) 0.261(7) 0.953(3) 0.333 Uiso 1 1 d D . .
H12B H 0.337(4) 0.325(4) 0.950(5) 0.333 Uiso 1 1 d D . .
O13W O 0.2261(11) 1.2909(9) 1.1913(6) 0.170(7) Uani 1 1 d D . .
H13B H 0.258(2) 1.251(2) 1.194(4) 0.204 Uiso 1 1 d D . .
H13C H 0.180(4) 1.272(6) 1.1610(15) 0.204 Uiso 1 1 d D . .
O14W O 0.2147(13) 0.2069(10) 0.3001(6) 0.168(6) Uani 1 1 d DU . .
H14B H 0.232(3) 0.179(3) 0.273(2) 0.202 Uiso 1 1 d D . .
H14C H 0.227(7) 0.267(2) 0.295(3) 0.202 Uiso 1 1 d D . .
O21 O 0.3783(5) 0.3013(4) 0.7271(2) 0.0326(14) Uani 1 1 d . . .
O22 O 0.3555(5) 0.3431(4) 0.6376(3) 0.0362(15) Uani 1 1 d . . .
O31 O 0.2427(6) 0.4602(6) 0.5941(2) 0.0485(17) Uani 1 1 d . . .
O32 O 0.2852(5) 0.3999(5) 0.5149(2) 0.0349(14) Uani 1 1 d . . .
O41 O 0.5166(5) 0.4034(4) 0.5380(2) 0.0342(14) Uani 1 1 d . . .
O42 O 0.5668(5) 0.3717(5) 0.4534(3) 0.0384(10) Uani 1 1 d U . .
O51 O 0.5835(6) 0.4844(7) 0.6668(3) 0.061(2) Uani 1 1 d U . .
O52 O 0.5899(6) 0.4987(5) 0.7626(3) 0.0467(17) Uani 1 1 d . . .
Tb2 Tb 0.44627(4) 0.49289(3) 0.595381(15) 0.03339(11) Uani 1 1 d U . .
Tb3 Tb 0.02612(8) 1.02366(8) 1.05034(4) 0.0439(2) Uani 0.50 1 d PDU . .
N11 N 0.5356(7) 1.2309(6) 1.0149(3) 0.0387(19) Uani 1 1 d . . .
N12 N 0.4940(8) 1.2655(7) 1.0594(4) 0.051(2) Uani 1 1 d . . .
N13 N 0.3862(8) 1.2053(8) 1.0553(4) 0.061(3) Uani 1 1 d . . .
N14 N 0.3542(8) 1.1299(9) 1.0094(4) 0.065(3) Uani 1 1 d . . .
N21 N -0.0613(7) -0.1729(7) 0.2942(3) 0.044(2) Uani 1 1 d . . .
N22 N -0.0827(8) -0.1591(8) 0.2383(4) 0.055(2) Uani 1 1 d . . .
N23 N -0.0160(9) -0.0623(8) 0.2325(4) 0.063(3) Uani 1 1 d . . .
H23B H -0.0138 -0.0362 0.2003 0.076 Uiso 1 1 calc R . .
N24 N 0.0476(8) -0.0100(7) 0.2828(4) 0.054(2) Uani 1 1 d . . .
N31 N -0.2247(6) 0.3134(6) 0.1422(3) 0.0338(17) Uani 1 1 d . . .
N32 N -0.2285(6) 0.2762(6) 0.0869(3) 0.0391(19) Uani 1 1 d . . .
N33 N -0.1728(8) 0.2157(7) 0.0843(3) 0.052(2) Uani 1 1 d . . .
N34 N -0.1293(7) 0.2131(7) 0.1388(3) 0.044(2) Uani 1 1 d . . .
N41 N 0.7971(7) 0.1588(8) 0.8819(3) 0.049(2) Uani 1 1 d . . .
N42 N 0.8032(7) 0.1873(7) 0.9383(3) 0.048(2) Uani 1 1 d . . .
N43 N 0.7436(7) 0.2429(7) 0.9433(3) 0.043(2) Uani 1 1 d . . .
N44 N 0.6973(7) 0.2541(7) 0.8904(3) 0.041(2) Uani 1 1 d . . .
N51 N 1.1852(9) 0.3847(8) 1.0156(4) 0.064(3) Uani 1 1 d U . .
N52 N 1.2809(9) 0.4370(9) 1.0561(4) 0.066(3) Uani 1 1 d U . .
N53 N 1.3244(8) 0.5353(8) 1.0510(4) 0.057(2) Uani 1 1 d . . .
N54 N 1.2586(7) 0.5516(6) 1.0064(3) 0.045(2) Uani 1 1 d . . .
C11 C 0.4469(8) 1.1491(7) 0.9846(4) 0.040(2) Uani 1 1 d . . .
C12 C 0.4489(8) 1.0848(7) 0.9320(4) 0.037(2) Uani 1 1 d . . .
C13 C 0.5257(9) 1.0386(7) 0.9322(4) 0.041(2) Uani 1 1 d . . .
H13A H 0.5762 1.0475 0.9659 0.049 Uiso 1 1 calc R . .
C14 C 0.5271(9) 0.9796(7) 0.8826(4) 0.039(2) Uani 1 1 d . . .
H14A H 0.5776 0.9478 0.8835 0.047 Uiso 1 1 calc R . .
C15 C 0.4545(8) 0.9670(7) 0.8313(4) 0.036(2) Uani 1 1 d . . .
C16 C 0.3745(9) 1.0119(7) 0.8321(4) 0.044(2) Uani 1 1 d . . .
H16A H 0.3231 1.0028 0.7987 0.053 Uiso 1 1 calc R . .
C17 C 0.3726(9) 1.0690(7) 0.8824(4) 0.043(2) Uani 1 1 d . . .
H17A H 0.3190 1.0972 0.8827 0.052 Uiso 1 1 calc R . .
C18 C 0.4604(8) 0.9111(6) 0.7768(4) 0.035(2) Uani 1 1 d . . .
C19 C 0.4639(7) 0.8133(6) 0.7755(3) 0.0278(18) Uani 1 1 d . . .
H19A H 0.4638 0.7831 0.8096 0.033 Uiso 1 1 calc R . .
C21 C 0.0194(8) -0.0805(8) 0.3196(4) 0.043(2) Uani 1 1 d . . .
C22 C 0.0659(8) -0.0572(7) 0.3827(4) 0.039(2) Uani 1 1 d . . .
C23 C 0.1636(10) 0.0388(8) 0.4029(5) 0.052(3) Uani 1 1 d . . .
H23A H 0.1971 0.0845 0.3769 0.063 Uiso 1 1 calc R . .
C24 C 0.2092(9) 0.0641(8) 0.4625(4) 0.048(3) Uani 1 1 d . . .
H24A H 0.2746 0.1257 0.4757 0.058 Uiso 1 1 calc R . .
C25 C 0.1568(8) -0.0025(7) 0.5017(4) 0.039(2) Uani 1 1 d . . .
C26 C 0.0651(9) -0.0978(8) 0.4796(4) 0.046(3) Uani 1 1 d . . .
H26A H 0.0316 -0.1446 0.5052 0.055 Uiso 1 1 calc R . .
C27 C 0.0219(9) -0.1253(7) 0.4204(4) 0.046(3) Uani 1 1 d . . .
H27A H -0.0375 -0.1909 0.4069 0.056 Uiso 1 1 calc R . .
C28 C 0.2001(8) 0.0276(7) 0.5646(4) 0.038(2) Uani 1 1 d . . .
C29 C 0.2551(7) 0.1339(6) 0.5891(4) 0.0302(19) Uani 1 1 d . . .
H29A H 0.2681 0.1858 0.5649 0.036 Uiso 1 1 calc R . .
C31 C -0.1627(8) 0.2740(7) 0.1735(4) 0.037(2) Uani 1 1 d . . .
C32 C -0.1314(8) 0.2909(7) 0.2369(3) 0.035(2) Uani 1 1 d . . .
C33 C -0.0513(8) 0.2604(7) 0.2641(4) 0.038(2) Uani 1 1 d . . .
H33A H -0.0161 0.2285 0.2419 0.045 Uiso 1 1 calc R . .
C34 C -0.0231(8) 0.2770(7) 0.3239(4) 0.035(2) Uani 1 1 d . . .
H34A H 0.0310 0.2560 0.3413 0.042 Uiso 1 1 calc R . .
C35 C -0.0738(8) 0.3242(7) 0.3587(3) 0.034(2) Uani 1 1 d . . .
C36 C -0.1546(8) 0.3548(7) 0.3318(4) 0.036(2) Uani 1 1 d . . .
H36A H -0.1905 0.3853 0.3544 0.043 Uiso 1 1 calc R . .
C37 C -0.1827(7) 0.3404(7) 0.2714(3) 0.032(2) Uani 1 1 d . . .
H37A H -0.2350 0.3634 0.2539 0.038 Uiso 1 1 calc R . .
C38 C -0.0433(8) 0.3436(6) 0.4239(3) 0.033(2) Uani 1 1 d . . .
C39 C 0.0652(8) 0.3651(7) 0.4512(3) 0.035(2) Uani 1 1 d . . .
H39A H 0.1204 0.3655 0.4290 0.042 Uiso 1 1 calc R . .
C41 C 0.7321(8) 0.2000(8) 0.8538(4) 0.038(2) Uani 1 1 d . . .
C42 C 0.7031(7) 0.1895(7) 0.7897(3) 0.034(2) Uani 1 1 d . . .
C43 C 0.6224(7) 0.2247(7) 0.7665(4) 0.034(2) Uani 1 1 d . . .
H43A H 0.5854 0.2507 0.7909 0.040 Uiso 1 1 calc R . .
C44 C 0.5985(7) 0.2203(7) 0.7071(3) 0.0317(19) Uani 1 1 d . . .
H44A H 0.5441 0.2429 0.6920 0.038 Uiso 1 1 calc R . .
C45 C 0.6526(7) 0.1833(6) 0.6689(3) 0.0271(18) Uani 1 1 d . . .
C46 C 0.7320(7) 0.1459(7) 0.6931(3) 0.035(2) Uani 1 1 d . . .
H46A H 0.7676 0.1175 0.6690 0.042 Uiso 1 1 calc R . .
C47 C 0.7559(8) 0.1520(8) 0.7525(4) 0.040(2) Uani 1 1 d . . .
H47A H 0.8103 0.1297 0.7680 0.048 Uiso 1 1 calc R . .
C48 C 0.6286(7) 0.1834(6) 0.6055(3) 0.0265(18) Uani 1 1 d . . .
C49 C 0.5920(7) 0.2585(6) 0.5841(3) 0.0249(17) Uani 1 1 d . . .
H49A H 0.5782 0.3041 0.6099 0.030 Uiso 1 1 calc R . .
C51 C 1.1758(8) 0.4602(9) 0.9869(4) 0.046(2) Uani 1 1 d . . .
C52 C 1.0883(8) 0.4463(8) 0.9360(5) 0.044(2) Uani 1 1 d . . .
C53 C 1.0377(8) 0.5166(8) 0.9330(4) 0.043(2) Uani 1 1 d U . .
H53A H 1.0500 0.5657 0.9649 0.051 Uiso 1 1 calc R . .
C54 C 0.9694(7) 0.5132(7) 0.8824(4) 0.039(2) Uani 1 1 d U . .
H54A H 0.9327 0.5579 0.8813 0.047 Uiso 1 1 calc R . .
C55 C 0.9542(8) 0.4443(8) 0.8330(4) 0.044(2) Uani 1 1 d . . .
C56 C 0.9993(9) 0.3690(9) 0.8381(5) 0.055(3) Uani 1 1 d . . .
H56A H 0.9863 0.3187 0.8066 0.066 Uiso 1 1 calc R . .
C57 C 1.0631(9) 0.3701(9) 0.8900(5) 0.056(3) Uani 1 1 d . . .
H57A H 1.0893 0.3179 0.8937 0.067 Uiso 1 1 calc R . .
C58 C 0.8933(8) 0.4520(8) 0.7773(4) 0.043(2) Uani 1 1 d . . .
C59 C 0.7965(8) 0.4721(7) 0.7739(4) 0.037(2) Uani 1 1 d . . .
H59A H 0.7683 0.4807 0.8078 0.045 Uiso 1 1 calc R . .
C110 C 0.4677(7) 0.7601(7) 0.7234(3) 0.033(2) Uani 1 1 d . . .
C111 C 0.4746(9) 0.8088(7) 0.6730(4) 0.042(2) Uani 1 1 d . . .
H11A H 0.4818 0.7757 0.6387 0.050 Uiso 1 1 calc R . .
C112 C 0.4708(9) 0.9059(8) 0.6741(5) 0.0469(12) Uani 1 1 d U . .
H11B H 0.4744 0.9377 0.6404 0.056 Uiso 1 1 calc R . .
C113 C 0.4617(10) 0.9553(8) 0.7253(4) 0.053(3) Uani 1 1 d . . .
H11C H 0.4562 1.0193 0.7254 0.063 Uiso 1 1 calc R . .
C114 C 0.4538(8) 0.6500(7) 0.7207(3) 0.036(2) Uani 1 1 d U . .
C159 C 0.5492(7) 0.3513(6) 0.5041(3) 0.0262(11) Uani 1 1 d U . .
C210 C 0.2900(7) 0.1630(6) 0.6477(4) 0.0311(19) Uani 1 1 d . . .
C211 C 0.2743(8) 0.0882(7) 0.6844(4) 0.041(2) Uani 1 1 d . . .
H21A H 0.2982 0.1082 0.7242 0.050 Uiso 1 1 calc R . .
C212 C 0.2225(10) -0.0175(8) 0.6616(5) 0.057(3) Uani 1 1 d . . .
H21B H 0.2124 -0.0687 0.6861 0.069 Uiso 1 1 calc R . .
C213 C 0.1859(9) -0.0462(7) 0.6023(4) 0.047(3) Uani 1 1 d . . .
H21C H 0.1508 -0.1173 0.5874 0.056 Uiso 1 1 calc R . .
C214 C 0.3462(7) 0.2777(7) 0.6725(4) 0.033(2) Uani 1 1 d . . .
C310 C 0.0941(8) 0.3866(6) 0.5122(3) 0.034(2) Uani 1 1 d . . .
C311 C 0.0120(8) 0.3827(7) 0.5453(4) 0.038(2) Uani 1 1 d . . .
H31A H 0.0304 0.3972 0.5856 0.045 Uiso 1 1 calc R . .
C312 C -0.0991(8) 0.3568(7) 0.5181(4) 0.038(2) Uani 1 1 d . . .
H31B H -0.1551 0.3526 0.5405 0.046 Uiso 1 1 calc R . .
C313 C -0.1272(8) 0.3374(7) 0.4581(4) 0.034(2) Uani 1 1 d . . .
H31C H -0.2017 0.3201 0.4405 0.041 Uiso 1 1 calc R . .
C314 C 0.2153(8) 0.4176(7) 0.5419(4) 0.036(2) Uani 1 1 d . . .
C410 C 0.5768(7) 0.2641(6) 0.5253(3) 0.0264(18) Uani 1 1 d . . .
C411 C 0.5913(7) 0.1940(6) 0.4860(3) 0.0283(18) Uani 1 1 d . . .
H41A H 0.5790 0.1975 0.4463 0.034 Uiso 1 1 calc R . .
C412 C 0.6243(7) 0.1181(7) 0.5058(3) 0.0324(19) Uani 1 1 d . . .
H41B H 0.6350 0.0712 0.4795 0.039 Uiso 1 1 calc R . .
C413 C 0.6413(7) 0.1125(6) 0.5654(3) 0.0306(19) Uani 1 1 d . . .
H41C H 0.6614 0.0604 0.5784 0.037 Uiso 1 1 calc R . .
C510 C 0.7419(7) 0.4795(7) 0.7218(4) 0.037(2) Uani 1 1 d . . .
C511 C 0.7860(8) 0.4709(8) 0.6714(4) 0.046(3) Uani 1 1 d . . .
H51A H 0.7503 0.4780 0.6361 0.056 Uiso 1 1 calc R . .
C512 C 0.8824(9) 0.4521(8) 0.6734(5) 0.051(3) Uani 1 1 d . . .
H51B H 0.9122 0.4473 0.6395 0.061 Uiso 1 1 calc R . .
C513 C 0.9343(9) 0.4404(9) 0.7248(5) 0.051(3) Uani 1 1 d . . .
H51C H 0.9975 0.4247 0.7254 0.061 Uiso 1 1 calc R . .
C514 C 0.6307(8) 0.4888(8) 0.7171(4) 0.043(2) Uani 1 1 d . . .
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'
Tb Tb -0.1723 4.1537 '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'
Zn Zn 0.2839 1.4301 '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
O11 Tb1 O21 125.4(2) . .
O11 Tb1 O52 80.1(3) . .
O21 Tb1 O52 80.5(2) . .
O11 Tb1 O8W 76.7(3) . .
O21 Tb1 O8W 146.4(2) . .
O52 Tb1 O8W 79.2(3) . .
O11 Tb1 O7W 135.2(3) . .
O21 Tb1 O7W 78.2(2) . .
O52 Tb1 O7W 144.7(3) . .
O8W Tb1 O7W 104.3(3) . .
O11 Tb1 O6W 144.2(2) . .
O21 Tb1 O6W 79.6(2) . .
O52 Tb1 O6W 79.8(2) . .
O8W Tb1 O6W 70.6(2) . .
O7W Tb1 O6W 68.9(3) . .
O11 Tb1 O9W 71.0(2) . .
O21 Tb1 O9W 138.0(2) . .
O52 Tb1 O9W 140.8(2) . .
O8W Tb1 O9W 69.0(3) . .
O7W Tb1 O9W 68.1(2) . .
O6W Tb1 O9W 109.1(2) . .
O11 Tb1 O10W 77.7(2) . .
O21 Tb1 O10W 72.1(2) . .
O52 Tb1 O10W 123.8(2) . .
O8W Tb1 O10W 141.4(2) . .
O7W Tb1 O10W 75.2(2) . .
O6W Tb1 O10W 137.9(2) . .
O9W Tb1 O10W 75.5(2) . .
O11 Tb1 H7WB 147.7(13) . .
O21 Tb1 H7WB 79.4(14) . .
O52 Tb1 H7WB 128.4(8) . .
O8W Tb1 H7WB 92.7(11) . .
O7W Tb1 H7WB 19.1(3) . .
O6W Tb1 H7WB 50.1(5) . .
O9W Tb1 H7WB 76.7(13) . .
O10W Tb1 H7WB 93.7(4) . .
N11 Zn1 N32 102.8(3) 1_444 .
N11 Zn1 N43 111.6(3) 1_444 1_454
N32 Zn1 N43 112.3(3) . 1_454
N11 Zn1 N54 109.7(3) 1_444 2_666
N32 Zn1 N54 121.4(3) . 2_666
N43 Zn1 N54 99.3(3) 1_454 2_666
Tb3 O1W Tb3 58.0(2) 2_577 .
Tb3 O1W H1WA 131(4) 2_577 .
Tb3 O1W H1WA 77(5) . .
Tb3 O1W H1WB 114(3) 2_577 .
Tb3 O1W H1WB 126.7(16) . .
H1WA O1W H1WB 109(3) . .
Tb3 O2W H2WA 84(3) . .
Tb3 O2W H2WB 129(6) . .
H2WA O2W H2WB 109(3) . .
Tb3 O3W H3WA 93(10) . .
Tb3 O4W H4WA 134(6) . .
Tb3 O4W H4WB 80(7) . .
H4WA O4W H4WB 110(3) . .
Tb3 O5WA Tb3 62.1(4) . 2_577
Tb3 O5WA H5WA 24(9) . .
Tb3 O5WA H5WA 85(5) 2_577 .
Tb3 O5WA H5WB 90(5) . .
Tb3 O5WA H5WB 33(8) 2_577 .
H5WA O5WA H5WB 109(3) . .
Tb3 O5WB H5WC 112(5) . .
Tb3 O5WB H5WD 69(9) . .
H5WC O5WB H5WD 109(3) . .
Tb1 O6W H6WA 131(4) . .
Tb1 O6W H6WB 120(4) . .
H6WA O6W H6WB 108(3) . .
Tb1 O7W H7WA 127(5) . .
Tb1 O7W H7WB 86(3) . .
H7WA O7W H7WB 111(3) . .
Tb1 O8W H8WA 129(3) . .
Tb1 O8W H8WB 108(3) . .
H8WA O8W H8WB 110(3) . .
Tb1 O9W H9WA 97(5) . .
Tb1 O9W H9WB 120(6) . .
H9WA O9W H9WB 110(3) . .
Tb1 O10W H10A 93(3) . .
Tb1 O10W H10B 159(4) . .
H10A O10W H10B 108(3) . .
C114 O11 Tb1 136.5(6) . .
Tb2 O11W H11D 150(3) . .
Tb2 O11W H11E 101(3) . .
H11D O11W H11E 108(3) . .
C114 O12 Tb2 169.0(7) . .
H12A O12W H12B 110(3) . .
H13B O13W H13C 109(3) . .
H14B O14W H14C 110(3) . .
C214 O21 Tb1 132.7(5) . .
C214 O22 Tb2 156.6(6) . .
C314 O31 Tb2 92.3(6) . .
C314 O32 Tb2 93.1(5) . .
C159 O42 Tb2 130.0(6) . 2_666
C514 O51 Tb2 156.3(8) . .
C514 O52 Tb1 137.8(6) . .
O41 Tb2 O12 155.6(2) . .
O41 Tb2 O22 89.8(2) . .
O12 Tb2 O22 93.9(3) . .
O41 Tb2 O51 82.1(2) . .
O12 Tb2 O51 76.0(3) . .
O22 Tb2 O51 73.2(3) . .
O41 Tb2 O42 107.8(2) . 2_666
O12 Tb2 O42 80.9(3) . 2_666
O22 Tb2 O42 148.5(2) . 2_666
O51 Tb2 O42 133.8(3) . 2_666
O41 Tb2 O32 77.3(2) . .
O12 Tb2 O32 127.1(2) . .
O22 Tb2 O32 82.7(2) . .
O51 Tb2 O32 148.2(3) . .
O42 Tb2 O32 76.2(2) 2_666 .
O41 Tb2 O31 127.3(2) . .
O12 Tb2 O31 76.4(2) . .
O22 Tb2 O31 70.8(2) . .
O51 Tb2 O31 132.3(2) . .
O42 Tb2 O31 77.8(2) 2_666 .
O32 Tb2 O31 52.61(19) . .
O41 Tb2 O11W 76.3(2) . .
O12 Tb2 O11W 85.5(3) . .
O22 Tb2 O11W 139.7(2) . .
O51 Tb2 O11W 67.5(3) . .
O42 Tb2 O11W 71.3(2) 2_666 .
O32 Tb2 O11W 128.7(2) . .
O31 Tb2 O11W 146.2(3) . .
O41 Tb2 C314 102.8(2) . .
O12 Tb2 C314 101.6(3) . .
O22 Tb2 C314 76.7(2) . .
O51 Tb2 C314 149.6(3) . .
O42 Tb2 C314 74.0(2) 2_666 .
O32 Tb2 C314 26.3(2) . .
O31 Tb2 C314 26.4(2) . .
O11W Tb2 C314 142.9(3) . .
O5WA Tb3 Tb3 62.9(3) . 2_577
O5WA Tb3 O3W 148.4(7) . .
Tb3 Tb3 O3W 128.7(4) 2_577 .
O5WA Tb3 O5WA 117.9(4) . 2_577
Tb3 Tb3 O5WA 55.0(3) 2_577 2_577
O3W Tb3 O5WA 80.6(5) . 2_577
O5WA Tb3 O2W 73.5(5) . .
Tb3 Tb3 O2W 130.9(3) 2_577 .
O3W Tb3 O2W 80.5(5) . .
O5WA Tb3 O2W 155.7(6) 2_577 .
O5WA Tb3 O1W 76.1(5) . 2_577
Tb3 Tb3 O1W 62.4(2) 2_577 2_577
O3W Tb3 O1W 84.9(5) . 2_577
O5WA Tb3 O1W 76.2(5) 2_577 2_577
O2W Tb3 O1W 86.9(4) . 2_577
O5WA Tb3 O1W 78.3(6) . .
Tb3 Tb3 O1W 59.6(2) 2_577 .
O3W Tb3 O1W 133.3(5) . .
O5WA Tb3 O1W 71.5(5) 2_577 .
O2W Tb3 O1W 132.8(4) . .
O1W Tb3 O1W 122.0(2) 2_577 .
O5WA Tb3 O4W 123.0(5) . .
Tb3 Tb3 O4W 140.0(2) 2_577 .
O3W Tb3 O4W 69.8(5) . .
O5WA Tb3 O4W 105.0(5) 2_577 .
O2W Tb3 O4W 82.6(4) . .
O1W Tb3 O4W 153.8(3) 2_577 .
O1W Tb3 O4W 82.0(3) . .
O5WA Tb3 O5WB 44.1(6) . .
Tb3 Tb3 O5WB 88.4(3) 2_577 .
O3W Tb3 O5WB 142.9(5) . .
O5WA Tb3 O5WB 129.2(5) 2_577 .
O2W Tb3 O5WB 74.5(5) . .
O1W Tb3 O5WB 120.1(4) 2_577 .
O1W Tb3 O5WB 59.0(4) . .
O4W Tb3 O5WB 80.1(4) . .
O5WA Tb3 H1WA 92.7(9) . .
Tb3 Tb3 H1WA 77.9(5) 2_577 .
O3W Tb3 H1WA 117.7(8) . .
O5WA Tb3 H1WA 75.4(11) 2_577 .
O2W Tb3 H1WA 127.4(10) . .
O1W Tb3 H1WA 139.7(6) 2_577 .
O1W Tb3 H1WA 19.6(3) . .
O4W Tb3 H1WA 62.8(5) . .
O5WB Tb3 H1WA 62.1(10) . .
O5WA Tb3 H2WA 89.6(11) . .
Tb3 Tb3 H2WA 136.4(18) 2_577 .
O3W Tb3 H2WA 61.9(8) . .
O5WA Tb3 H2WA 136.6(7) 2_577 .
O2W Tb3 H2WA 19.9(3) . .
O1W Tb3 H2WA 79.2(17) 2_577 .
O1W Tb3 H2WA 151.1(10) . .
O4W Tb3 H2WA 83.0(18) . .
O5WB Tb3 H2WA 94.1(6) . .
H1WA Tb3 H2WA 140.2(17) . .
O5WA Tb3 H3WA 159(2) . .
Tb3 Tb3 H3WA 113(2) 2_577 .
O3W Tb3 H3WA 19.0(14) . .
O5WA Tb3 H3WA 62.0(18) 2_577 .
O2W Tb3 H3WA 99.4(14) . .
O1W Tb3 H3WA 84(3) 2_577 .
O1W Tb3 H3WA 118.5(16) . .
O4W Tb3 H3WA 74(3) . .
O5WB Tb3 H3WA 154(3) . .
H1WA Tb3 H3WA 107(2) . .
H2WA Tb3 H3WA 80.4(14) . .
O5WA Tb3 H4WB 105.8(12) . .
Tb3 Tb3 H4WB 144.6(19) 2_577 .
O3W Tb3 H4WB 79.5(18) . .
O5WA Tb3 H4WB 124.0(6) 2_577 .
O2W Tb3 H4WB 67.0(10) . .
O1W Tb3 H4WB 151.3(16) 2_577 .
O1W Tb3 H4WB 85.8(18) . .
O4W Tb3 H4WB 19.4(4) . .
O5WB Tb3 H4WB 65.7(16) . .
H1WA Tb3 H4WB 68.9(18) . .
H2WA Tb3 H4WB 72(2) . .
H3WA Tb3 H4WB 89(3) . .
O5WA Tb3 H5WA 13(4) . .
Tb3 Tb3 H5WA 75.6(19) 2_577 .
O3W Tb3 H5WA 138(7) . .
O5WA Tb3 H5WA 130.4(16) 2_577 .
O2W Tb3 H5WA 60(5) . .
O1W Tb3 H5WA 78(7) 2_577 .
O1W Tb3 H5WA 88(8) . .
O4W Tb3 H5WA 116(5) . .
O5WB Tb3 H5WA 43(8) . .
H1WA Tb3 H5WA 100(8) . .
H2WA Tb3 H5WA 77(6) . .
H3WA Tb3 H5WA 153(9) . .
H4WB Tb3 H5WA 98(4) . .
O5WA Tb3 H5WB 20.8(6) . .
Tb3 Tb3 H5WB 43.5(18) 2_577 .
O3W Tb3 H5WB 147(3) . .
O5WA Tb3 H5WB 98.0(14) 2_577 .
O2W Tb3 H5WB 89(3) . .
O1W Tb3 H5WB 63(3) 2_577 .
O1W Tb3 H5WB 76(4) . .
O4W Tb3 H5WB 141(2) . .
O5WB Tb3 H5WB 60.7(19) . .
H1WA Tb3 H5WB 94(4) . .
H2WA Tb3 H5WB 102(3) . .
H3WA Tb3 H5WB 145(3) . .
H4WB Tb3 H5WB 125.5(19) . .
H5WA Tb3 H5WB 32(2) . .
O5WA Tb3 H5WD 47.4(15) . .
Tb3 Tb3 H5WD 103.2(10) 2_577 .
O3W Tb3 H5WD 127.3(9) . .
O5WA Tb3 H5WD 148.2(6) 2_577 .
O2W Tb3 H5WD 55.7(6) . .
O1W Tb3 H5WD 116.8(15) 2_577 .
O1W Tb3 H5WD 77.3(6) . .
O4W Tb3 H5WD 76.3(15) . .
O5WB Tb3 H5WD 19.0(3) . .
H1WA Tb3 H5WD 77.3(14) . .
H2WA Tb3 H5WD 75.2(7) . .
H3WA Tb3 H5WD 144(3) . .
H4WB Tb3 H5WD 58.4(18) . .
H5WA Tb3 H5WD 40(6) . .
H5WB Tb3 H5WD 67.6(17) . .
C11 N11 N12 105.6(8) . .
C11 N11 Zn1 136.2(6) . 1_666
N12 N11 Zn1 118.1(6) . 1_666
N13 N12 N11 108.7(8) . .
N12 N13 N14 109.4(9) . .
C11 N14 N13 106.2(9) . .
C21 N21 N22 104.6(8) . .
N23 N22 N21 108.1(8) . .
N22 N23 N24 110.9(9) . .
N22 N23 H23B 124.5 . .
N24 N23 H23B 124.5 . .
N23 N24 C21 104.2(9) . .
C31 N31 N32 104.2(8) . .
N33 N32 N31 111.2(7) . .
N33 N32 Zn1 118.4(6) . .
N31 N32 Zn1 130.4(6) . .
N32 N33 N34 108.0(7) . .
N33 N34 C31 105.5(8) . .
N42 N41 C41 105.7(8) . .
N43 N42 N41 108.0(7) . .
N42 N43 N44 111.5(7) . .
N42 N43 Zn1 131.7(6) . 1_656
N44 N43 Zn1 116.7(7) . 1_656
C41 N44 N43 102.7(8) . .
C51 N51 N52 103.8(9) . .
N53 N52 N51 110.0(9) . .
N52 N53 N54 108.4(8) . .
C51 N54 N53 105.9(8) . .
C51 N54 Zn1 134.5(7) . 2_666
N53 N54 Zn1 119.6(6) . 2_666
N11 C11 N14 110.1(8) . .
N11 C11 C12 126.0(9) . .
N14 C11 C12 123.9(9) . .
C17 C12 C13 119.4(8) . .
C17 C12 C11 119.5(9) . .
C13 C12 C11 121.1(8) . .
C14 C13 C12 120.3(9) . .
C14 C13 H13A 119.8 . .
C12 C13 H13A 119.8 . .
C13 C14 C15 121.1(9) . .
C13 C14 H14A 119.5 . .
C15 C14 H14A 119.5 . .
C14 C15 C16 118.0(8) . .
C14 C15 C18 121.9(9) . .
C16 C15 C18 120.0(8) . .
C17 C16 C15 120.2(9) . .
C17 C16 H16A 119.9 . .
C15 C16 H16A 119.9 . .
C12 C17 C16 120.8(10) . .
C12 C17 H17A 119.6 . .
C16 C17 H17A 119.6 . .
C19 C18 C113 118.9(8) . .
C19 C18 C15 120.9(7) . .
C113 C18 C15 120.3(8) . .
C18 C19 C110 120.4(7) . .
C18 C19 H19A 119.8 . .
C110 C19 H19A 119.8 . .
N24 C21 N21 112.1(9) . .
N24 C21 C22 124.1(9) . .
N21 C21 C22 123.6(9) . .
C27 C22 C23 119.5(9) . .
C27 C22 C21 122.4(8) . .
C23 C22 C21 118.0(9) . .
C24 C23 C22 119.6(10) . .
C24 C23 H23A 120.2 . .
C22 C23 H23A 120.2 . .
C25 C24 C23 120.2(9) . .
C25 C24 H24A 119.9 . .
C23 C24 H24A 119.9 . .
C26 C25 C24 118.0(9) . .
C26 C25 C28 121.8(9) . .
C24 C25 C28 120.2(8) . .
C25 C26 C27 122.0(10) . .
C25 C26 H26A 119.0 . .
C27 C26 H26A 119.0 . .
C22 C27 C26 120.2(9) . .
C22 C27 H27A 119.9 . .
C26 C27 H27A 119.9 . .
C213 C28 C29 116.9(8) . .
C213 C28 C25 122.1(8) . .
C29 C28 C25 121.0(8) . .
C210 C29 C28 121.7(8) . .
C210 C29 H29A 119.2 . .
C28 C29 H29A 119.2 . .
N31 C31 N34 111.2(7) . .
N31 C31 C32 126.8(9) . .
N34 C31 C32 122.0(9) . .
C33 C32 C37 118.9(8) . .
C33 C32 C31 121.5(9) . .
C37 C32 C31 119.7(8) . .
C34 C33 C32 120.5(9) . .
C34 C33 H33A 119.7 . .
C32 C33 H33A 119.7 . .
C33 C34 C35 121.5(8) . .
C33 C34 H34A 119.2 . .
C35 C34 H34A 119.2 . .
C36 C35 C34 118.2(8) . .
C36 C35 C38 119.6(8) . .
C34 C35 C38 122.1(8) . .
C35 C36 C37 121.1(9) . .
C35 C36 H36A 119.5 . .
C37 C36 H36A 119.5 . .
C36 C37 C32 119.7(8) . .
C36 C37 H37A 120.1 . .
C32 C37 H37A 120.1 . .
C39 C38 C313 118.7(8) . .
C39 C38 C35 121.5(8) . .
C313 C38 C35 119.8(8) . .
C38 C39 C310 121.1(9) . .
C38 C39 H39A 119.5 . .
C310 C39 H39A 119.5 . .
N44 C41 N41 112.1(8) . .
N44 C41 C42 123.0(9) . .
N41 C41 C42 124.8(8) . .
C47 C42 C43 118.7(8) . .
C47 C42 C41 122.7(8) . .
C43 C42 C41 118.5(8) . .
C44 C43 C42 119.3(8) . .
C44 C43 H43A 120.4 . .
C42 C43 H43A 120.4 . .
C43 C44 C45 122.5(8) . .
C43 C44 H44A 118.8 . .
C45 C44 H44A 118.8 . .
C44 C45 C46 117.5(7) . .
C44 C45 C48 121.3(7) . .
C46 C45 C48 121.2(8) . .
C47 C46 C45 119.3(8) . .
C47 C46 H46A 120.4 . .
C45 C46 H46A 120.4 . .
C42 C47 C46 122.8(9) . .
C42 C47 H47A 118.6 . .
C46 C47 H47A 118.6 . .
C413 C48 C49 118.1(7) . .
C413 C48 C45 122.2(8) . .
C49 C48 C45 119.7(7) . .
C410 C49 C48 120.3(7) . .
C410 C49 H49A 119.9 . .
C48 C49 H49A 119.9 . .
N54 C51 N51 111.8(9) . .
N54 C51 C52 121.3(10) . .
N51 C51 C52 126.8(10) . .
C57 C52 C53 119.3(10) . .
C57 C52 C51 120.8(10) . .
C53 C52 C51 119.8(9) . .
C54 C53 C52 119.8(10) . .
C54 C53 H53A 120.1 . .
C52 C53 H53A 120.1 . .
C53 C54 C55 121.4(10) . .
C53 C54 H54A 119.3 . .
C55 C54 H54A 119.3 . .
C54 C55 C56 117.9(10) . .
C54 C55 C58 120.2(9) . .
C56 C55 C58 122.0(10) . .
C57 C56 C55 119.8(11) . .
C57 C56 H56A 120.1 . .
C55 C56 H56A 120.1 . .
C52 C57 C56 121.2(11) . .
C52 C57 H57A 119.4 . .
C56 C57 H57A 119.4 . .
C59 C58 C513 117.6(9) . .
C59 C58 C55 122.4(9) . .
C513 C58 C55 120.0(10) . .
C510 C59 C58 121.4(9) . .
C510 C59 H59A 119.3 . .
C58 C59 H59A 119.3 . .
C19 C110 C111 119.3(8) . .
C19 C110 C114 119.9(8) . .
C111 C110 C114 120.5(8) . .
C112 C111 C110 120.3(9) . .
C112 C111 H11A 119.9 . .
C110 C111 H11A 119.9 . .
C113 C112 C111 119.7(9) . .
C113 C112 H11B 120.2 . .
C111 C112 H11B 120.2 . .
C112 C113 C18 121.3(9) . .
C112 C113 H11C 119.4 . .
C18 C113 H11C 119.4 . .
O12 C114 O11 123.2(9) . .
O12 C114 C110 118.0(8) . .
O11 C114 C110 118.7(8) . .
O41 C159 O42 123.4(8) . .
O41 C159 C410 119.4(7) . .
O42 C159 C410 117.0(7) . .
C29 C210 C211 120.4(8) . .
C29 C210 C214 120.1(8) . .
C211 C210 C214 119.5(8) . .
C210 C211 C212 119.6(9) . .
C210 C211 H21A 120.2 . .
C212 C211 H21A 120.2 . .
C213 C212 C211 119.6(9) . .
C213 C212 H21B 120.2 . .
C211 C212 H21B 120.2 . .
C28 C213 C212 121.8(9) . .
C28 C213 H21C 119.1 . .
C212 C213 H21C 119.1 . .
O22 C214 O21 124.6(8) . .
O22 C214 C210 117.3(7) . .
O21 C214 C210 118.1(8) . .
C311 C310 C39 119.7(9) . .
C311 C310 C314 119.3(7) . .
C39 C310 C314 120.9(8) . .
C310 C311 C312 119.5(8) . .
C310 C311 H31A 120.3 . .
C312 C311 H31A 120.3 . .
C313 C312 C311 120.9(9) . .
C313 C312 H31B 119.5 . .
C311 C312 H31B 119.5 . .
C312 C313 C38 120.0(8) . .
C312 C313 H31C 120.0 . .
C38 C313 H31C 120.0 . .
O32 C314 O31 121.6(8) . .
O32 C314 C310 120.3(7) . .
O31 C314 C310 118.0(8) . .
O32 C314 Tb2 60.6(4) . .
O31 C314 Tb2 61.3(5) . .
C310 C314 Tb2 175.2(6) . .
C49 C410 C411 120.9(8) . .
C49 C410 C159 119.3(7) . .
C411 C410 C159 119.7(7) . .
C410 C411 C412 119.8(7) . .
C410 C411 H41A 120.1 . .
C412 C411 H41A 120.1 . .
C411 C412 C413 119.8(8) . .
C411 C412 H41B 120.1 . .
C413 C412 H41B 120.1 . .
C48 C413 C412 121.0(8) . .
C48 C413 H41C 119.5 . .
C412 C413 H41C 119.5 . .
C59 C510 C511 119.8(9) . .
C59 C510 C514 121.4(9) . .
C511 C510 C514 118.7(9) . .
C512 C511 C510 120.2(10) . .
C512 C511 H51A 119.9 . .
C510 C511 H51A 119.9 . .
C513 C512 C511 120.3(10) . .
C513 C512 H51B 119.9 . .
C511 C512 H51B 119.9 . .
C512 C513 C58 120.8(10) . .
C512 C513 H51C 119.6 . .
C58 C513 H51C 119.6 . .
O51 C514 O52 124.5(10) . .
O51 C514 C510 115.6(9) . .
O52 C514 C510 119.8(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O11 2.259(7) .
Tb1 O21 2.290(6) .
Tb1 O52 2.311(7) .
Tb1 O8W 2.371(7) .
Tb1 O7W 2.418(7) .
Tb1 O6W 2.481(7) .
Tb1 O9W 2.498(8) .
Tb1 O10W 2.549(6) .
Tb1 H7WB 2.50(4) .
Zn1 N11 1.985(8) 1_444
Zn1 N32 1.991(8) .
Zn1 N43 1.996(8) 1_454
Zn1 N54 2.001(8) 2_666
O1W Tb3 2.376(10) 2_577
O1W Tb3 2.441(9) .
O1W H1WA 0.823(10) .
O1W H1WB 0.823(10) .
O2W Tb3 2.362(11) .
O2W H2WA 0.827(10) .
O2W H2WB 0.822(11) .
O3W Tb3 2.342(17) .
O3W H3WA 0.819(11) .
O4W Tb3 2.448(10) .
O4W H4WA 0.822(10) .
O4W H4WB 0.823(11) .
O5WA Tb3 2.165(14) .
O5WA Tb3 2.354(14) 2_577
O5WA H5WA 0.821(10) .
O5WA H5WB 0.824(11) .
O5WB Tb3 2.532(19) .
O5WB H5WC 0.822(10) .
O5WB H5WD 0.824(10) .
O6W H6WA 0.821(10) .
O6W H6WB 0.823(10) .
O7W H7WA 0.820(10) .
O7W H7WB 0.819(10) .
O8W H8WA 0.821(10) .
O8W H8WB 0.822(10) .
O9W H9WA 0.821(10) .
O9W H9WB 0.820(10) .
O10W H10A 0.822(10) .
O10W H10B 0.824(10) .
O11 C114 1.240(11) .
O11W Tb2 2.552(8) .
O11W H11D 0.825(10) .
O11W H11E 0.822(10) .
O12 C114 1.238(11) .
O12 Tb2 2.275(8) .
O12W H12A 0.820(11) .
O12W H12B 0.821(11) .
O13W H13B 0.822(10) .
O13W H13C 0.821(10) .
O14W H14B 0.823(10) .
O14W H14C 0.821(11) .
O21 C214 1.270(10) .
O22 C214 1.254(11) .
O22 Tb2 2.314(6) .
O31 C314 1.261(10) .
O31 Tb2 2.485(7) .
O32 C314 1.254(11) .
O32 Tb2 2.470(5) .
O41 C159 1.258(10) .
O41 Tb2 2.274(6) .
O42 C159 1.265(10) .
O42 Tb2 2.343(6) 2_666
O51 C514 1.246(12) .
O51 Tb2 2.341(7) .
O52 C514 1.264(12) .
Tb2 O42 2.343(6) 2_666
Tb2 C314 2.831(9) .
Tb3 Tb3 2.3378(19) 2_577
Tb3 O5WA 2.354(14) 2_577
Tb3 O1W 2.376(10) 2_577
Tb3 H1WA 2.40(6) .
Tb3 H2WA 2.42(4) .
Tb3 H3WA 2.52(16) .
Tb3 H4WB 2.44(10) .
Tb3 H5WA 1.45(8) .
Tb3 H5WB 2.32(6) .
Tb3 H5WD 2.36(13) .
N11 C11 1.327(12) .
N11 N12 1.370(11) .
N11 Zn1 1.985(8) 1_666
N12 N13 1.295(13) .
N13 N14 1.346(13) .
N14 C11 1.333(13) .
N21 C21 1.329(12) .
N21 N22 1.350(11) .
N22 N23 1.310(13) .
N23 N24 1.325(12) .
N23 H23B 0.8600 .
N24 C21 1.327(13) .
N31 C31 1.333(12) .
N31 N32 1.345(10) .
N32 N33 1.324(12) .
N33 N34 1.340(10) .
N34 C31 1.363(13) .
N41 N42 1.334(10) .
N41 C41 1.342(13) .
N42 N43 1.311(12) .
N43 N44 1.358(10) .
N43 Zn1 1.996(8) 1_656
N44 C41 1.335(12) .
N51 C51 1.335(14) .
N51 N52 1.363(13) .
N52 N53 1.283(14) .
N53 N54 1.362(11) .
N54 C51 1.299(13) .
N54 Zn1 2.001(8) 2_666
C11 C12 1.478(12) .
C12 C17 1.375(13) .
C12 C13 1.392(14) .
C13 C14 1.380(12) .
C13 H13A 0.9300 .
C14 C15 1.388(12) .
C14 H14A 0.9300 .
C15 C16 1.417(14) .
C15 C18 1.472(12) .
C16 C17 1.381(13) .
C16 H16A 0.9300 .
C17 H17A 0.9300 .
C18 C19 1.391(12) .
C18 C113 1.395(12) .
C19 C110 1.397(11) .
C19 H19A 0.9300 .
C21 C22 1.485(13) .
C22 C27 1.349(14) .
C22 C23 1.422(14) .
C23 C24 1.406(14) .
C23 H23A 0.9300 .
C24 C25 1.392(14) .
C24 H24A 0.9300 .
C25 C26 1.389(13) .
C25 C28 1.476(13) .
C26 C27 1.393(13) .
C26 H26A 0.9300 .
C27 H27A 0.9300 .
C28 C213 1.381(13) .
C28 C29 1.406(12) .
C29 C210 1.367(12) .
C29 H29A 0.9300 .
C31 C32 1.465(11) .
C32 C33 1.385(13) .
C32 C37 1.411(13) .
C33 C34 1.380(12) .
C33 H33A 0.9300 .
C34 C35 1.391(13) .
C34 H34A 0.9300 .
C35 C36 1.390(13) .
C35 C38 1.502(11) .
C36 C37 1.393(11) .
C36 H36A 0.9300 .
C37 H37A 0.9300 .
C38 C39 1.378(13) .
C38 C313 1.403(13) .
C39 C310 1.409(11) .
C39 H39A 0.9300 .
C41 C42 1.482(11) .
C42 C47 1.367(13) .
C42 C43 1.401(13) .
C43 C44 1.378(11) .
C43 H43A 0.9300 .
C44 C45 1.389(12) .
C44 H44A 0.9300 .
C45 C46 1.415(12) .
C45 C48 1.480(10) .
C46 C47 1.376(12) .
C46 H46A 0.9300 .
C47 H47A 0.9300 .
C48 C413 1.388(12) .
C48 C49 1.421(12) .
C49 C410 1.379(10) .
C49 H49A 0.9300 .
C51 C52 1.488(14) .
C52 C57 1.367(15) .
C52 C53 1.392(14) .
C53 C54 1.377(13) .
C53 H53A 0.9300 .
C54 C55 1.390(14) .
C54 H54A 0.9300 .
C55 C56 1.407(15) .
C55 C58 1.479(14) .
C56 C57 1.382(16) .
C56 H56A 0.9300 .
C57 H57A 0.9300 .
C58 C59 1.389(14) .
C58 C513 1.417(14) .
C59 C510 1.369(13) .
C59 H59A 0.9300 .
C110 C111 1.400(12) .
C110 C114 1.477(12) .
C111 C112 1.383(14) .
C111 H11A 0.9300 .
C112 C113 1.379(14) .
C112 H11B 0.9300 .
C113 H11C 0.9300 .
C159 C410 1.511(11) .
C210 C211 1.372(13) .
C210 C214 1.505(11) .
C211 C212 1.387(13) .
C211 H21A 0.9300 .
C212 C213 1.385(14) .
C212 H21B 0.9300 .
C213 H21C 0.9300 .
C310 C311 1.373(13) .
C310 C314 1.512(13) .
C311 C312 1.393(13) .
C311 H31A 0.9300 .
C312 C313 1.384(12) .
C312 H31B 0.9300 .
C313 H31C 0.9300 .
C410 C411 1.379(11) .
C411 C412 1.391(12) .
C411 H41A 0.9300 .
C412 C413 1.399(11) .
C412 H41B 0.9300 .
C413 H41C 0.9300 .
C510 C511 1.386(14) .
C510 C514 1.494(14) .
C511 C512 1.376(16) .
C511 H51A 0.9300 .
C512 C513 1.362(16) .
C512 H51B 0.9300 .
C513 H51C 0.9300 .
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
O21 Tb1 O11 C114 -11.4(11) . . . .
O52 Tb1 O11 C114 59.4(10) . . . .
O8W Tb1 O11 C114 140.5(10) . . . .
O7W Tb1 O11 C114 -122.4(9) . . . .
O6W Tb1 O11 C114 116.0(9) . . . .
O9W Tb1 O11 C114 -147.4(10) . . . .
O10W Tb1 O11 C114 -68.7(10) . . . .
O11 Tb1 O21 C214 -16.7(8) . . . .
O52 Tb1 O21 C214 -87.3(7) . . . .
O8W Tb1 O21 C214 -140.9(7) . . . .
O7W Tb1 O21 C214 121.1(8) . . . .
O6W Tb1 O21 C214 -168.6(8) . . . .
O9W Tb1 O21 C214 84.3(8) . . . .
O10W Tb1 O21 C214 43.0(7) . . . .
O11 Tb1 O52 C514 -92.5(10) . . . .
O21 Tb1 O52 C514 36.2(10) . . . .
O8W Tb1 O52 C514 -170.8(10) . . . .
O7W Tb1 O52 C514 89.8(10) . . . .
O6W Tb1 O52 C514 117.2(10) . . . .
O9W Tb1 O52 C514 -134.9(9) . . . .
O10W Tb1 O52 C514 -24.7(11) . . . .
C114 O12 Tb2 O41 -76(4) . . . .
C114 O12 Tb2 O22 22(4) . . . .
C114 O12 Tb2 O51 -50(4) . . . .
C114 O12 Tb2 O42 170(4) . . . 2_666
C114 O12 Tb2 O32 106(4) . . . .
C114 O12 Tb2 O31 91(4) . . . .
C114 O12 Tb2 O11W -118(4) . . . .
C114 O12 Tb2 C314 99(4) . . . .
C214 O22 Tb2 O41 84.9(15) . . . .
C214 O22 Tb2 O12 -70.9(15) . . . .
C214 O22 Tb2 O51 3.2(15) . . . .
C214 O22 Tb2 O42 -149.8(14) . . . 2_666
C214 O22 Tb2 O32 162.1(15) . . . .
C214 O22 Tb2 O31 -145.0(15) . . . .
C214 O22 Tb2 O11W 16.6(16) . . . .
C214 O22 Tb2 C314 -171.9(15) . . . .
C514 O51 Tb2 O41 -162.5(19) . . . .
C514 O51 Tb2 O12 28.2(18) . . . .
C514 O51 Tb2 O22 -70.3(18) . . . .
C514 O51 Tb2 O42 90.4(19) . . . 2_666
C514 O51 Tb2 O32 -112.9(18) . . . .
C514 O51 Tb2 O31 -28(2) . . . .
C514 O51 Tb2 O11W 119.1(19) . . . .
C514 O51 Tb2 C314 -61(2) . . . .
C314 O32 Tb2 O41 166.1(5) . . . .
C314 O32 Tb2 O12 -14.7(6) . . . .
C314 O32 Tb2 O22 74.6(5) . . . .
C314 O32 Tb2 O51 115.4(6) . . . .
C314 O32 Tb2 O42 -81.7(5) . . . 2_666
C314 O32 Tb2 O31 3.3(5) . . . .
C314 O32 Tb2 O11W -133.4(5) . . . .
C314 O31 Tb2 O41 -24.7(6) . . . .
C314 O31 Tb2 O12 161.9(6) . . . .
C314 O31 Tb2 O22 -99.0(6) . . . .
C314 O31 Tb2 O51 -142.0(5) . . . .
C314 O31 Tb2 O42 78.5(5) . . . 2_666
C314 O31 Tb2 O32 -3.3(5) . . . .
C314 O31 Tb2 O11W 102.5(6) . . . .
Tb3 O5WA Tb3 O3W 120.5(9) 2_577 . . .
Tb3 O5WA Tb3 O5WA 0.000(1) 2_577 . . 2_577
Tb3 O5WA Tb3 O2W 156.7(5) 2_577 . . .
Tb3 O5WA Tb3 O1W 65.8(3) 2_577 . . 2_577
Tb3 O5WA Tb3 O1W -61.6(3) 2_577 . . .
Tb3 O5WA Tb3 O4W -133.9(3) 2_577 . . .
Tb3 O5WA Tb3 O5WB -118.8(8) 2_577 . . .
Tb3 O1W Tb3 O5WA 65.3(4) 2_577 . . .
Tb3 O1W Tb3 O3W -116.3(6) 2_577 . . .
Tb3 O1W Tb3 O5WA -59.6(4) 2_577 . . 2_577
Tb3 O1W Tb3 O2W 119.4(5) 2_577 . . .
Tb3 O1W Tb3 O1W 0.000(1) 2_577 . . 2_577
Tb3 O1W Tb3 O4W -168.5(3) 2_577 . . .
Tb3 O1W Tb3 O5WB 108.3(4) 2_577 . . .
C11 N11 N12 N13 0.7(11) . . . .
Zn1 N11 N12 N13 -176.1(7) 1_666 . . .
N11 N12 N13 N14 0.8(13) . . . .
N12 N13 N14 C11 -2.0(14) . . . .
C21 N21 N22 N23 0.1(12) . . . .
N21 N22 N23 N24 -1.3(13) . . . .
N22 N23 N24 C21 1.9(13) . . . .
C31 N31 N32 N33 0.8(10) . . . .
C31 N31 N32 Zn1 -177.0(6) . . . .
N11 Zn1 N32 N33 113.6(7) 1_444 . . .
N43 Zn1 N32 N33 -6.4(8) 1_454 . . .
N54 Zn1 N32 N33 -123.4(7) 2_666 . . .
N11 Zn1 N32 N31 -68.7(8) 1_444 . . .
N43 Zn1 N32 N31 171.3(7) 1_454 . . .
N54 Zn1 N32 N31 54.2(9) 2_666 . . .
N31 N32 N33 N34 -0.9(11) . . . .
Zn1 N32 N33 N34 177.2(6) . . . .
N32 N33 N34 C31 0.6(10) . . . .
C41 N41 N42 N43 0.2(11) . . . .
N41 N42 N43 N44 -0.7(11) . . . .
N41 N42 N43 Zn1 174.3(7) . . . 1_656
N42 N43 N44 C41 0.9(10) . . . .
Zn1 N43 N44 C41 -175.0(6) 1_656 . . .
C51 N51 N52 N53 -0.5(13) . . . .
N51 N52 N53 N54 -0.2(13) . . . .
N52 N53 N54 C51 0.8(12) . . . .
N52 N53 N54 Zn1 178.0(8) . . . 2_666
N12 N11 C11 N14 -2.0(12) . . . .
Zn1 N11 C11 N14 173.9(8) 1_666 . . .
N12 N11 C11 C12 -180.0(9) . . . .
Zn1 N11 C11 C12 -4.1(17) 1_666 . . .
N13 N14 C11 N11 2.5(13) . . . .
N13 N14 C11 C12 -179.5(10) . . . .
N11 C11 C12 C17 -126.9(11) . . . .
N14 C11 C12 C17 55.4(14) . . . .
N11 C11 C12 C13 54.0(14) . . . .
N14 C11 C12 C13 -123.7(12) . . . .
C17 C12 C13 C14 1.6(14) . . . .
C11 C12 C13 C14 -179.4(9) . . . .
C12 C13 C14 C15 1.5(14) . . . .
C13 C14 C15 C16 -3.3(14) . . . .
C13 C14 C15 C18 175.4(9) . . . .
C14 C15 C16 C17 2.1(14) . . . .
C18 C15 C16 C17 -176.7(9) . . . .
C13 C12 C17 C16 -2.8(14) . . . .
C11 C12 C17 C16 178.1(9) . . . .
C15 C16 C17 C12 1.0(15) . . . .
C14 C15 C18 C19 48.4(13) . . . .
C16 C15 C18 C19 -132.9(10) . . . .
C14 C15 C18 C113 -132.2(11) . . . .
C16 C15 C18 C113 46.5(13) . . . .
C113 C18 C19 C110 -0.5(14) . . . .
C15 C18 C19 C110 179.0(8) . . . .
N23 N24 C21 N21 -1.9(12) . . . .
N23 N24 C21 C22 -177.6(10) . . . .
N22 N21 C21 N24 1.1(12) . . . .
N22 N21 C21 C22 176.9(9) . . . .
N24 C21 C22 C27 168.8(10) . . . .
N21 C21 C22 C27 -6.5(16) . . . .
N24 C21 C22 C23 -14.1(15) . . . .
N21 C21 C22 C23 170.7(10) . . . .
C27 C22 C23 C24 -3.6(16) . . . .
C21 C22 C23 C24 179.2(10) . . . .
C22 C23 C24 C25 -2.2(16) . . . .
C23 C24 C25 C26 5.3(15) . . . .
C23 C24 C25 C28 -175.8(10) . . . .
C24 C25 C26 C27 -3.0(15) . . . .
C28 C25 C26 C27 178.1(9) . . . .
C23 C22 C27 C26 5.9(15) . . . .
C21 C22 C27 C26 -177.0(10) . . . .
C25 C26 C27 C22 -2.7(16) . . . .
C26 C25 C28 C213 25.5(15) . . . .
C24 C25 C28 C213 -153.3(10) . . . .
C26 C25 C28 C29 -152.7(10) . . . .
C24 C25 C28 C29 28.5(14) . . . .
C213 C28 C29 C210 -1.9(14) . . . .
C25 C28 C29 C210 176.4(8) . . . .
N32 N31 C31 N34 -0.5(10) . . . .
N32 N31 C31 C32 179.5(8) . . . .
N33 N34 C31 N31 0.0(10) . . . .
N33 N34 C31 C32 -180.0(8) . . . .
N31 C31 C32 C33 -169.2(9) . . . .
N34 C31 C32 C33 10.8(13) . . . .
N31 C31 C32 C37 10.1(14) . . . .
N34 C31 C32 C37 -170.0(8) . . . .
C37 C32 C33 C34 0.8(13) . . . .
C31 C32 C33 C34 -180.0(8) . . . .
C32 C33 C34 C35 0.1(14) . . . .
C33 C34 C35 C36 0.1(13) . . . .
C33 C34 C35 C38 -179.5(8) . . . .
C34 C35 C36 C37 -1.2(13) . . . .
C38 C35 C36 C37 178.3(8) . . . .
C35 C36 C37 C32 2.2(13) . . . .
C33 C32 C37 C36 -1.9(13) . . . .
C31 C32 C37 C36 178.8(8) . . . .
C36 C35 C38 C39 -147.4(9) . . . .
C34 C35 C38 C39 32.1(13) . . . .
C36 C35 C38 C313 34.1(12) . . . .
C34 C35 C38 C313 -146.3(9) . . . .
C313 C38 C39 C310 -3.6(12) . . . .
C35 C38 C39 C310 177.9(8) . . . .
N43 N44 C41 N41 -0.7(11) . . . .
N43 N44 C41 C42 -179.7(8) . . . .
N42 N41 C41 N44 0.3(11) . . . .
N42 N41 C41 C42 179.2(9) . . . .
N44 C41 C42 C47 167.1(9) . . . .
N41 C41 C42 C47 -11.7(15) . . . .
N44 C41 C42 C43 -9.5(14) . . . .
N41 C41 C42 C43 171.7(9) . . . .
C47 C42 C43 C44 0.1(13) . . . .
C41 C42 C43 C44 176.9(8) . . . .
C42 C43 C44 C45 -0.8(13) . . . .
C43 C44 C45 C46 2.2(13) . . . .
C43 C44 C45 C48 -177.5(8) . . . .
C44 C45 C46 C47 -2.9(13) . . . .
C48 C45 C46 C47 176.8(8) . . . .
C43 C42 C47 C46 -1.0(14) . . . .
C41 C42 C47 C46 -177.5(9) . . . .
C45 C46 C47 C42 2.4(14) . . . .
C44 C45 C48 C413 -153.1(8) . . . .
C46 C45 C48 C413 27.1(12) . . . .
C44 C45 C48 C49 27.3(12) . . . .
C46 C45 C48 C49 -152.5(8) . . . .
C413 C48 C49 C410 -4.0(12) . . . .
C45 C48 C49 C410 175.6(7) . . . .
N53 N54 C51 N51 -1.2(12) . . . .
Zn1 N54 C51 N51 -177.7(8) 2_666 . . .
N53 N54 C51 C52 -177.5(9) . . . .
Zn1 N54 C51 C52 5.9(16) 2_666 . . .
N52 N51 C51 N54 1.0(13) . . . .
N52 N51 C51 C52 177.1(10) . . . .
N54 C51 C52 C57 128.6(12) . . . .
N51 C51 C52 C57 -47.1(16) . . . .
N54 C51 C52 C53 -46.5(14) . . . .
N51 C51 C52 C53 137.8(11) . . . .
C57 C52 C53 C54 -4.5(15) . . . .
C51 C52 C53 C54 170.7(9) . . . .
C52 C53 C54 C55 -3.3(14) . . . .
C53 C54 C55 C56 7.6(14) . . . .
C53 C54 C55 C58 -171.8(9) . . . .
C54 C55 C56 C57 -4.4(15) . . . .
C58 C55 C56 C57 175.1(10) . . . .
C53 C52 C57 C56 7.8(16) . . . .
C51 C52 C57 C56 -167.3(10) . . . .
C55 C56 C57 C52 -3.3(17) . . . .
C54 C55 C58 C59 -40.1(14) . . . .
C56 C55 C58 C59 140.5(10) . . . .
C54 C55 C58 C513 138.8(10) . . . .
C56 C55 C58 C513 -40.6(14) . . . .
C513 C58 C59 C510 0.6(14) . . . .
C55 C58 C59 C510 179.6(9) . . . .
C18 C19 C110 C111 3.7(13) . . . .
C18 C19 C110 C114 -170.7(8) . . . .
C19 C110 C111 C112 -3.9(14) . . . .
C114 C110 C111 C112 170.5(9) . . . .
C110 C111 C112 C113 0.9(16) . . . .
C111 C112 C113 C18 2.4(17) . . . .
C19 C18 C113 C112 -2.6(16) . . . .
C15 C18 C113 C112 177.9(10) . . . .
Tb2 O12 C114 O11 -5(4) . . . .
Tb2 O12 C114 C110 179(3) . . . .
Tb1 O11 C114 O12 4.8(16) . . . .
Tb1 O11 C114 C110 -179.4(6) . . . .
C19 C110 C114 O12 176.8(9) . . . .
C111 C110 C114 O12 2.4(14) . . . .
C19 C110 C114 O11 0.8(13) . . . .
C111 C110 C114 O11 -173.6(9) . . . .
Tb2 O42 C159 O41 2.1(12) 2_666 . . .
Tb2 O42 C159 C410 -173.8(5) 2_666 . . .
C28 C29 C210 C211 1.5(14) . . . .
C28 C29 C210 C214 -178.6(8) . . . .
C29 C210 C211 C212 -0.1(15) . . . .
C214 C210 C211 C212 180.0(10) . . . .
C210 C211 C212 C213 -0.8(17) . . . .
C29 C28 C213 C212 0.9(16) . . . .
C25 C28 C213 C212 -177.3(10) . . . .
C211 C212 C213 C28 0.4(18) . . . .
Tb2 O22 C214 O21 48(2) . . . .
Tb2 O22 C214 C210 -133.6(12) . . . .
Tb1 O21 C214 O22 21.3(13) . . . .
Tb1 O21 C214 C210 -156.9(6) . . . .
C29 C210 C214 O22 2.3(12) . . . .
C211 C210 C214 O22 -177.8(9) . . . .
C29 C210 C214 O21 -179.4(8) . . . .
C211 C210 C214 O21 0.5(13) . . . .
C38 C39 C310 C311 2.2(13) . . . .
C38 C39 C310 C314 -175.8(8) . . . .
C39 C310 C311 C312 0.4(13) . . . .
C314 C310 C311 C312 178.4(8) . . . .
C310 C311 C312 C313 -1.5(14) . . . .
C311 C312 C313 C38 0.0(13) . . . .
C39 C38 C313 C312 2.6(12) . . . .
C35 C38 C313 C312 -178.9(8) . . . .
Tb2 O32 C314 O31 -6.2(9) . . . .
Tb2 O32 C314 C310 174.6(7) . . . .
Tb2 O31 C314 O32 6.1(9) . . . .
Tb2 O31 C314 C310 -174.6(7) . . . .
C311 C310 C314 O32 164.4(8) . . . .
C39 C310 C314 O32 -17.7(13) . . . .
C311 C310 C314 O31 -14.9(12) . . . .
C39 C310 C314 O31 163.0(8) . . . .
O41 Tb2 C314 O32 -13.9(5) . . . .
O12 Tb2 C314 O32 168.1(5) . . . .
O22 Tb2 C314 O32 -100.6(5) . . . .
O51 Tb2 C314 O32 -110.0(6) . . . .
O42 Tb2 C314 O32 91.2(5) 2_666 . . .
O31 Tb2 C314 O32 -174.0(9) . . . .
O11W Tb2 C314 O32 70.2(7) . . . .
O41 Tb2 C314 O31 160.1(5) . . . .
O12 Tb2 C314 O31 -17.9(6) . . . .
O22 Tb2 C314 O31 73.4(5) . . . .
O51 Tb2 C314 O31 64.0(8) . . . .
O42 Tb2 C314 O31 -94.8(5) 2_666 . . .
O32 Tb2 C314 O31 174.0(9) . . . .
O11W Tb2 C314 O31 -115.8(6) . . . .
C48 C49 C410 C411 3.3(12) . . . .
C48 C49 C410 C159 -174.0(7) . . . .
O41 C159 C410 C49 -15.0(11) . . . .
O42 C159 C410 C49 161.0(8) . . . .
O41 C159 C410 C411 167.7(8) . . . .
O42 C159 C410 C411 -16.3(11) . . . .
C49 C410 C411 C412 -1.6(13) . . . .
C159 C410 C411 C412 175.7(7) . . . .
C410 C411 C412 C413 0.8(13) . . . .
C49 C48 C413 C412 3.3(12) . . . .
C45 C48 C413 C412 -176.3(8) . . . .
C411 C412 C413 C48 -1.7(13) . . . .
C58 C59 C510 C511 -2.6(14) . . . .
C58 C59 C510 C514 172.9(9) . . . .
C59 C510 C511 C512 1.9(14) . . . .
C514 C510 C511 C512 -173.8(9) . . . .
C510 C511 C512 C513 0.8(16) . . . .
C511 C512 C513 C58 -2.8(16) . . . .
C59 C58 C513 C512 2.1(15) . . . .
C55 C58 C513 C512 -176.9(10) . . . .
Tb2 O51 C514 O52 7(3) . . . .
Tb2 O51 C514 C510 -173.8(14) . . . .
Tb1 O52 C514 O51 33.1(16) . . . .
Tb1 O52 C514 C510 -145.7(7) . . . .
C59 C510 C514 O51 -173.1(9) . . . .
C511 C510 C514 O51 2.4(13) . . . .
C59 C510 C514 O52 5.8(14) . . . .
C511 C510 C514 O52 -178.6(9) . . . .
