#------------------------------------------------------------------------------
#$Date: 2019-01-29 04:57:35 +0200 (Tue, 29 Jan 2019) $
#$Revision: 213365 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/22/7232238.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_7232238
loop_
_publ_author_name
'Zhang, Hang'
'Wang, Jia-Chen'
'Jiang, Wei'
'Zhao, Si-Si'
_publ_section_title
;
 Three resorcin[4]arene-based lanthanide-coordination polymers with
 multifunctional photoluminescence sensing properties
;
_journal_issue                   7
_journal_name_full               'RSC Advances'
_journal_page_first              3647
_journal_paper_doi               10.1039/C8RA09777A
_journal_volume                  9
_journal_year                    2019
_chemical_formula_moiety         'C66 H94 N O33 Tb2'
_chemical_formula_sum            'C66 H94 N O33 Tb2'
_chemical_formula_weight         1747.26
_chemical_name_common            Resorcin[4]arene-Tb
_chemical_name_systematic        1
_chemical_properties_physical    Light-sensitive
_space_group_IT_number           2
_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
_audit_creation_method           SHELXL-97
_audit_update_record
;
2017-10-22 deposited with the CCDC.
2019-01-28 downloaded from the CCDC.
;
_cell_angle_alpha                97.698(5)
_cell_angle_beta                 92.368(5)
_cell_angle_gamma                98.312(4)
_cell_formula_units_Z            2
_cell_length_a                   11.6240(5)
_cell_length_b                   14.8640(9)
_cell_length_c                   22.1860(16)
_cell_measurement_reflns_used    4746
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.2620
_cell_measurement_theta_min      3.7030
_cell_volume                     3751.6(4)
_computing_cell_refinement       CrysAlis
_computing_data_collection       'CrysAlis (Oxford Diffraction, 2006)'
_computing_data_reduction        CrysAlis
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.820
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra'
_diffrn_measurement_method       'ω scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0856
_diffrn_reflns_av_sigmaI/netI    0.1810
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            27889
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.33
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    1.957
_exptl_absorpt_correction_T_max  0.8283
_exptl_absorpt_correction_T_min  0.6956
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis (Oxford Diffraction, 2006) 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1782
_exptl_crystal_preparation       Luminescent
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         5.055
_refine_diff_density_min         -1.999
_refine_diff_density_rms         0.267
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.107
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     914
_refine_ls_number_reflns         16870
_refine_ls_number_restraints     231
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.2009
_refine_ls_R_factor_gt           0.1461
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0252P)²+200.6389P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2933
_refine_ls_wR_factor_ref         0.3284
_reflns_number_gt                10588
_reflns_number_total             16870
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c8ra09777a2.cif
_cod_data_source_block           Compound-1
_cod_database_code               7232238
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
Tb1 Tb 0.19783(7) 1.15837(6) -0.02573(4) 0.0248(2) Uani 1 1 d .
Tb2 Tb 0.72862(7) 0.23353(6) -0.13632(4) 0.0287(2) Uani 1 1 d .
C1 C 0.6367(14) 0.8883(12) -0.2164(9) 0.028(4) Uani 1 1 d .
C2 C 0.6186(13) 0.9659(10) -0.1785(8) 0.021(3) Uani 1 1 d U
H2 H 0.6518 0.9797 -0.1389 0.026 Uiso 1 1 calc R
C3 C 0.5475(14) 1.0233(11) -0.2026(9) 0.026(4) Uani 1 1 d .
C4 C 0.4919(14) 1.0052(11) -0.2569(9) 0.027(4) Uani 1 1 d .
C5 C 0.5103(15) 0.9257(13) -0.2937(9) 0.031(4) Uani 1 1 d .
H5 H 0.4715 0.9120 -0.3320 0.038 Uiso 1 1 calc R
C6 C 0.5830(15) 0.8647(11) -0.2769(8) 0.026(4) Uani 1 1 d .
C7 C 0.8111(15) 0.8687(13) -0.1609(8) 0.030(4) Uani 1 1 d .
H7A H 0.8371 0.9300 -0.1703 0.036 Uiso 1 1 calc R
H7B H 0.8730 0.8326 -0.1701 0.036 Uiso 1 1 calc R
C8 C 0.7945(14) 0.8754(12) -0.0931(9) 0.028(4) Uani 1 1 d .
C9 C 0.4464(16) 1.1072(12) -0.1293(11) 0.041(5) Uani 1 1 d .
H9A H 0.4289 1.0488 -0.1141 0.049 Uiso 1 1 calc R
H9B H 0.3794 1.1160 -0.1542 0.049 Uiso 1 1 calc R
C10 C 0.4751(16) 1.1878(13) -0.0747(9) 0.029(4) Uani 1 1 d .
C11 C 0.4198(15) 1.0712(13) -0.2822(9) 0.030(4) Uani 1 1 d U
H11 H 0.4444 1.1314 -0.2578 0.036 Uiso 1 1 calc R
C12 C 0.2862(15) 1.0449(13) -0.2735(9) 0.029(4) Uani 1 1 d U
C13 C 0.2051(13) 1.1136(10) -0.2526(7) 0.018(3) Uani 1 1 d U
C14 C 0.1047(18) 1.0942(12) -0.2536(8) 0.034(4) Uani 1 1 d U
H14 H 0.0599 1.1407 -0.2447 0.041 Uiso 1 1 calc R
C15 C 0.0479(14) 1.0029(12) -0.2676(9) 0.028(4) Uani 1 1 d .
C16 C 0.1122(14) 0.9328(12) -0.2833(8) 0.025(4) Uani 1 1 d U
C17 C 0.2301(14) 0.9574(12) -0.2879(8) 0.027(4) Uani 1 1 d .
H17 H 0.2735 0.9117 -0.3016 0.032 Uiso 1 1 calc R
C18 C 0.2108(15) 1.2715(12) -0.2134(9) 0.028(4) Uani 1 1 d .
H18A H 0.1467 1.2739 -0.2423 0.034 Uiso 1 1 calc R
H18B H 0.2595 1.3311 -0.2076 0.034 Uiso 1 1 calc R
C19 C 0.1609(15) 1.2530(12) -0.1516(10) 0.036(5) Uani 1 1 d .
C20 C -0.1447(15) 1.0448(13) -0.2771(9) 0.031(4) Uani 1 1 d .
H20A H -0.2168 1.0122 -0.2979 0.038 Uiso 1 1 calc R
H20B H -0.1065 1.0832 -0.3047 0.038 Uiso 1 1 calc R
C21 C -0.1744(16) 1.1066(14) -0.2216(9) 0.035(4) Uani 1 1 d U
C22 C 0.0520(14) 0.8321(11) -0.2983(9) 0.028(4) Uani 1 1 d .
H22 H -0.0265 0.8303 -0.2836 0.034 Uiso 1 1 calc R
C23 C 0.1138(14) 0.7695(11) -0.2624(8) 0.025(4) Uani 1 1 d U
C24 C 0.1139(14) 0.7783(12) -0.2002(8) 0.027(4) Uani 1 1 d U
C25 C 0.1484(14) 0.7131(11) -0.1674(8) 0.023(3) Uani 1 1 d U
H25 H 0.1395 0.7175 -0.1257 0.028 Uiso 1 1 calc R
C26 C 0.1974(16) 0.6399(14) -0.1980(9) 0.036(4) Uani 1 1 d U
C27 C 0.2053(13) 0.6291(11) -0.2599(8) 0.024(4) Uani 1 1 d .
C28 C 0.1642(14) 0.6956(12) -0.2926(9) 0.030(4) Uani 1 1 d .
H28 H 0.1705 0.6905 -0.3346 0.036 Uiso 1 1 calc R
C29 C 0.1582(18) 0.9278(13) -0.1438(10) 0.040(5) Uani 1 1 d .
H29A H 0.1311 0.9840 -0.1519 0.049 Uiso 1 1 calc R
H29B H 0.2286 0.9230 -0.1652 0.049 Uiso 1 1 calc R
C30 C 0.1881(15) 0.9352(13) -0.0766(9) 0.032(4) Uani 1 1 d .
C31 C 0.1574(19) 0.5381(14) -0.1259(10) 0.041(5) Uani 1 1 d U
H31A H 0.0794 0.5438 -0.1406 0.050 Uiso 1 1 calc R
H31B H 0.1610 0.4730 -0.1278 0.050 Uiso 1 1 calc R
C32 C 0.1731(17) 0.5790(12) -0.0622(10) 0.036(4) Uani 1 1 d U
C33 C 0.2664(17) 0.5507(13) -0.2885(9) 0.035(4) Uani 1 1 d U
C34 C 0.3960(14) 0.5807(12) -0.2844(8) 0.027(4) Uani 1 1 d .
C35 C 0.4743(16) 0.5181(12) -0.2745(10) 0.034(4) Uani 1 1 d .
C36 C 0.5933(16) 0.5446(12) -0.2730(9) 0.033(4) Uani 1 1 d .
H36 H 0.6452 0.5038 -0.2677 0.040 Uiso 1 1 calc R
C37 C 0.631(2) 0.6332(18) -0.2796(12) 0.058(6) Uani 1 1 d U
C38 C 0.5683(15) 0.6928(12) -0.2988(9) 0.029(4) Uani 1 1 d .
C39 C 0.4488(15) 0.6664(13) -0.2966(9) 0.032(4) Uani 1 1 d .
H39 H 0.4005 0.7090 -0.3038 0.038 Uiso 1 1 calc R
C40 C 0.4900(14) 0.3619(11) -0.2626(9) 0.028(4) Uani 1 1 d .
H40A H 0.5468 0.3668 -0.2933 0.034 Uiso 1 1 calc R
H40B H 0.4398 0.3033 -0.2734 0.034 Uiso 1 1 calc R
C41 C 0.5542(16) 0.3625(14) -0.2010(11) 0.040(5) Uani 1 1 d .
C42 C 0.8347(16) 0.5932(14) -0.2824(12) 0.049(6) Uani 1 1 d .
H42A H 0.9096 0.6182 -0.2957 0.059 Uiso 1 1 calc R
H42B H 0.8052 0.5379 -0.3102 0.059 Uiso 1 1 calc R
C43 C 0.8533(17) 0.5674(18) -0.2206(15) 0.058(7) Uani 1 1 d .
C44 C 0.6157(14) 0.7841(11) -0.3164(8) 0.024(3) Uani 1 1 d U
H44 H 0.7007 0.7896 -0.3114 0.029 Uiso 1 1 calc R
C45 C 0.4374(16) 1.0843(14) -0.3477(10) 0.040(5) Uani 1 1 d .
H45A H 0.4108 1.0259 -0.3730 0.048 Uiso 1 1 calc R
H45B H 0.3872 1.1271 -0.3586 0.048 Uiso 1 1 calc R
C46 C 0.560(2) 1.1187(19) -0.3643(14) 0.065(8) Uani 1 1 d .
H46A H 0.5816 1.1824 -0.3464 0.078 Uiso 1 1 calc R
H46B H 0.6141 1.0836 -0.3468 0.078 Uiso 1 1 calc R
C47 C 0.572(3) 1.111(3) -0.4294(18) 0.116(13) Uani 1 1 d U
H47A H 0.5294 1.1552 -0.4453 0.140 Uiso 1 1 calc R
H47B H 0.5361 1.0505 -0.4479 0.140 Uiso 1 1 calc R
C48 C 0.687(4) 1.126(4) -0.448(2) 0.153(14) Uani 1 1 d U
H48A H 0.7273 1.0780 -0.4360 0.184 Uiso 1 1 calc R
H48B H 0.7262 1.1838 -0.4254 0.184 Uiso 1 1 calc R
C49 C 0.705(4) 1.130(3) -0.515(2) 0.138(13) Uani 1 1 d U
H49A H 0.7870 1.1394 -0.5215 0.207 Uiso 1 1 calc R
H49B H 0.6708 1.1802 -0.5279 0.207 Uiso 1 1 calc R
H49C H 0.6688 1.0736 -0.5388 0.207 Uiso 1 1 calc R
C50 C 0.0367(18) 0.8005(14) -0.3661(9) 0.038(5) Uani 1 1 d .
H50A H 0.1128 0.8047 -0.3829 0.046 Uiso 1 1 calc R
H50B H 0.0013 0.7365 -0.3732 0.046 Uiso 1 1 calc R
C51 C -0.039(2) 0.8565(18) -0.3996(12) 0.055(6) Uani 1 1 d .
H51A H -0.0051 0.9209 -0.3907 0.066 Uiso 1 1 calc R
H51B H -0.1157 0.8498 -0.3841 0.066 Uiso 1 1 calc R
C52 C -0.050(3) 0.828(2) -0.4693(14) 0.077(8) Uani 1 1 d U
H52A H 0.0272 0.8307 -0.4841 0.093 Uiso 1 1 calc R
H52B H -0.0884 0.7652 -0.4780 0.093 Uiso 1 1 calc R
C53 C -0.115(5) 0.884(3) -0.5037(19) 0.16(2) Uani 1 1 d .
H53A H -0.1922 0.8813 -0.4881 0.196 Uiso 1 1 calc R
H53B H -0.0776 0.9476 -0.4931 0.196 Uiso 1 1 calc R
C54 C -0.131(4) 0.867(3) -0.568(2) 0.147(16) Uani 1 1 d U
H54A H -0.1742 0.9119 -0.5825 0.220 Uiso 1 1 calc R
H54B H -0.1737 0.8068 -0.5807 0.220 Uiso 1 1 calc R
H54C H -0.0566 0.8718 -0.5858 0.220 Uiso 1 1 calc R
C55 C 0.2211(16) 0.5155(16) -0.3573(10) 0.042(5) Uani 1 1 d .
H55A H 0.2278 0.5675 -0.3798 0.051 Uiso 1 1 calc R
H55B H 0.2708 0.4733 -0.3753 0.051 Uiso 1 1 calc R
C56 C 0.094(4) 0.467(4) -0.364(3) 0.159(14) Uani 1 1 d U
H56A H 0.0473 0.5050 -0.3399 0.190 Uiso 1 1 calc R
H56B H 0.0908 0.4096 -0.3479 0.190 Uiso 1 1 calc R
C57 C 0.041(5) 0.447(5) -0.428(3) 0.216(15) Uani 1 1 d DU
H57A H 0.0527 0.5024 -0.4473 0.259 Uiso 1 1 calc R
H57B H 0.0784 0.4009 -0.4515 0.259 Uiso 1 1 calc R
C58 C -0.094(5) 0.411(5) -0.428(3) 0.217(15) Uani 1 1 d DU
H58A H -0.1243 0.3727 -0.4656 0.260 Uiso 1 1 calc R
H58B H -0.1392 0.4613 -0.4198 0.260 Uiso 1 1 calc R
C59 C 0.586(2) 0.7826(15) -0.3851(10) 0.047(5) Uani 1 1 d .
H59A H 0.5023 0.7738 -0.3929 0.057 Uiso 1 1 calc R
H59B H 0.6181 0.8410 -0.3972 0.057 Uiso 1 1 calc R
C60 C 0.637(3) 0.704(2) -0.4230(19) 0.108(9) Uani 1 1 d DU
C61 C 0.594(5) 0.691(4) -0.497(3) 0.180(14) Uani 1 1 d U
H61A H 0.5792 0.7481 -0.5096 0.215 Uiso 1 1 calc R
H61B H 0.6496 0.6645 -0.5222 0.215 Uiso 1 1 calc R
C62 C 0.475(5) 0.620(4) -0.495(3) 0.190(14) Uani 1 1 d DU
C63 C 0.474(5) 0.607(4) -0.569(3) 0.188(14) Uani 1 1 d U
H63A H 0.4049 0.5669 -0.5856 0.281 Uiso 1 1 calc R
H63B H 0.5414 0.5818 -0.5817 0.281 Uiso 1 1 calc R
H63C H 0.4746 0.6661 -0.5822 0.281 Uiso 1 1 calc R
C64 C -0.089(6) 0.355(5) -0.373(3) 0.219(15) Uani 1 1 d DU
H64A H -0.1665 0.3272 -0.3655 0.329 Uiso 1 1 calc R
H64B H -0.0560 0.3949 -0.3366 0.329 Uiso 1 1 calc R
H64C H -0.0419 0.3072 -0.3819 0.329 Uiso 1 1 calc R
C65 C 0.443(3) 0.784(3) -0.1069(18) 0.103(12) Uiso 1 1 d .
H65A H 0.4090 0.8248 -0.0778 0.155 Uiso 1 1 calc R
H65B H 0.3854 0.7573 -0.1392 0.155 Uiso 1 1 calc R
H65C H 0.5080 0.8174 -0.1233 0.155 Uiso 1 1 calc R
C66 C 0.534(2) 0.6457(17) -0.1218(13) 0.062(7) Uani 1 1 d .
H66A H 0.5601 0.5975 -0.1025 0.093 Uiso 1 1 calc R
H66B H 0.5994 0.6795 -0.1383 0.093 Uiso 1 1 calc R
H66C H 0.4766 0.6196 -0.1540 0.093 Uiso 1 1 calc R
N1 N 0.4825(17) 0.7089(11) -0.0759(9) 0.048(5) Uani 1 1 d .
O1 O 0.5703(11) 1.2372(9) -0.0734(7) 0.042(4) Uani 1 1 d .
O2 O 0.3998(10) 1.1923(9) -0.0359(6) 0.034(3) Uani 1 1 d .
O3 O 0.2019(14) 1.1994(10) -0.1223(7) 0.050(4) Uani 1 1 d .
O4 O 0.0855(12) 1.3032(9) -0.1362(7) 0.043(4) Uani 1 1 d .
O5 O -0.1238(13) 1.1193(10) -0.1707(7) 0.046(4) Uani 1 1 d .
O6 O -0.2598(11) 1.1506(9) -0.2355(7) 0.038(3) Uani 1 1 d .
O7 O 0.2457(11) 1.0149(8) -0.0562(7) 0.037(3) Uani 1 1 d .
O8 O 0.1629(13) 0.8731(10) -0.0463(7) 0.046(4) Uani 1 1 d .
O9 O 0.0918(13) 0.5822(11) -0.0280(7) 0.052(4) Uani 1 1 d .
H9 H 0.0304 0.5592 -0.0472 0.078 Uiso 1 1 calc R
O10 O 0.5388(14) 0.4184(11) -0.1567(7) 0.048(4) Uani 1 1 d .
O11 O 0.6146(12) 0.2993(9) -0.1999(7) 0.043(3) Uani 1 1 d .
O12 O 0.888(2) 0.4962(12) -0.2155(10) 0.088(7) Uani 1 1 d .
O13 O 0.8309(15) 0.6227(14) -0.1759(10) 0.074(6) Uani 1 1 d .
O14 O 0.7107(11) 0.8312(9) -0.0738(6) 0.034(3) Uani 1 1 d .
O15 O 0.8754(10) 0.9265(8) -0.0584(6) 0.031(3) Uani 1 1 d .
O16 O 0.2812(13) 0.6053(13) -0.0383(7) 0.058(5) Uani 1 1 d .
O17 O 0.5460(10) 1.1083(7) -0.1642(6) 0.027(3) Uani 1 1 d .
O18 O 0.2789(10) 1.2024(8) -0.2393(6) 0.033(3) Uani 1 1 d .
O19 O -0.0721(10) 0.9793(8) -0.2652(7) 0.036(3) Uani 1 1 d .
O20 O 0.0709(11) 0.8512(9) -0.1683(6) 0.035(3) Uani 1 1 d .
O21 O 0.2350(12) 0.5729(9) -0.1664(6) 0.036(3) Uani 1 1 d .
O22 O 0.4214(10) 0.4335(8) -0.2642(6) 0.031(3) Uani 1 1 d U
O23 O 0.7564(11) 0.6585(9) -0.2870(8) 0.045(4) Uani 1 1 d .
O24 O 0.7114(11) 0.8293(8) -0.2001(6) 0.031(3) Uani 1 1 d .
O1W O 0.2604(14) 1.3214(11) -0.0083(8) 0.057(4) Uani 1 1 d DU
O2W O 0.0450(10) 1.2320(8) 0.0279(7) 0.036(3) Uani 1 1 d .
O3W O 0.0144(12) 1.0797(9) -0.0761(6) 0.036(3) Uani 1 1 d U
O4W O 0.7378(13) 0.1230(9) -0.0674(7) 0.047(4) Uani 1 1 d .
O5W O 0.7217(10) 0.3909(8) -0.0827(6) 0.034(3) Uani 1 1 d .
O6W O 0.8999(12) 0.2810(10) -0.0652(7) 0.043(3) Uani 1 1 d .
O7W O 0.8768(13) 0.3257(10) -0.1862(7) 0.046(4) Uani 1 1 d U
O8W O 0.411(2) 1.4457(19) -0.0606(15) 0.144(11) Uani 1 1 d DU
O9W O 0.8666(12) 0.5598(10) -0.0693(7) 0.046(4) 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'
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'
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
O3 Tb1 O7 94.0(5) . .
O3 Tb1 O2 78.7(5) . .
O7 Tb1 O2 78.1(4) . .
O3 Tb1 O14 149.2(5) . 2_675
O7 Tb1 O14 93.0(5) . 2_675
O2 Tb1 O14 73.5(5) . 2_675
O3 Tb1 O3W 76.1(5) . .
O7 Tb1 O3W 79.3(4) . .
O2 Tb1 O3W 144.6(5) . .
O14 Tb1 O3W 134.7(4) 2_675 .
O3 Tb1 O1W 76.1(5) . .
O7 Tb1 O1W 147.3(5) . .
O2 Tb1 O1W 69.5(5) . .
O14 Tb1 O1W 81.9(5) 2_675 .
O3W Tb1 O1W 126.3(5) . .
O3 Tb1 O2W 107.9(5) . .
O7 Tb1 O2W 140.3(4) . .
O2 Tb1 O2W 137.5(4) . .
O14 Tb1 O2W 84.8(5) 2_675 .
O3W Tb1 O2W 74.7(4) . .
O1W Tb1 O2W 71.6(5) . .
O3 Tb1 O15 157.3(5) . 2_675
O7 Tb1 O15 78.5(5) . 2_675
O2 Tb1 O15 119.7(4) . 2_675
O14 Tb1 O15 53.3(4) 2_675 2_675
O3W Tb1 O15 81.5(4) . 2_675
O1W Tb1 O15 121.2(5) . 2_675
O2W Tb1 O15 68.6(4) . 2_675
O3 Tb1 C8 174.8(5) . 2_675
O7 Tb1 C8 89.5(5) . 2_675
O2 Tb1 C8 98.2(5) . 2_675
O14 Tb1 C8 26.3(4) 2_675 2_675
O3W Tb1 C8 108.5(5) . 2_675
O1W Tb1 C8 98.9(5) . 2_675
O2W Tb1 C8 71.5(5) . 2_675
O15 Tb1 C8 27.6(4) 2_675 2_675
O11 Tb2 O1 83.7(5) . 1_545
O11 Tb2 O6 75.2(5) . 1_645
O1 Tb2 O6 130.2(5) 1_545 1_645
O11 Tb2 O4W 147.5(5) . .
O1 Tb2 O4W 71.3(5) 1_545 .
O6 Tb2 O4W 105.2(5) 1_645 .
O11 Tb2 O7W 78.9(5) . .
O1 Tb2 O7W 145.2(5) 1_545 .
O6 Tb2 O7W 73.6(5) 1_645 .
O4W Tb2 O7W 133.1(5) . .
O11 Tb2 O6W 138.2(5) . .
O1 Tb2 O6W 103.9(5) 1_545 .
O6 Tb2 O6W 121.9(5) 1_645 .
O4W Tb2 O6W 70.1(5) . .
O7W Tb2 O6W 71.7(5) . .
O11 Tb2 O5W 74.6(5) . .
O1 Tb2 O5W 67.9(4) 1_545 .
O6 Tb2 O5W 142.0(4) 1_645 .
O4W Tb2 O5W 112.7(5) . .
O7W Tb2 O5W 78.4(5) . .
O6W Tb2 O5W 70.8(4) . .
O11 Tb2 O17 76.7(5) . 1_545
O1 Tb2 O17 61.9(4) 1_545 1_545
O6 Tb2 O17 69.5(4) 1_645 1_545
O4W Tb2 O17 73.3(4) . 1_545
O7W Tb2 O17 139.8(5) . 1_545
O6W Tb2 O17 143.4(4) . 1_545
O5W Tb2 O17 124.0(4) . 1_545
O11 Tb2 O5 126.1(5) . 1_645
O1 Tb2 O5 137.6(4) 1_545 1_645
O6 Tb2 O5 52.3(4) 1_645 1_645
O4W Tb2 O5 68.6(5) . 1_645
O7W Tb2 O5 75.9(5) . 1_645
O6W Tb2 O5 74.7(5) . 1_645
O5W Tb2 O5 141.9(4) . 1_645
O17 Tb2 O5 93.5(4) 1_545 1_645
O11 Tb2 C21 101.7(5) . 1_645
O1 Tb2 C21 139.8(5) 1_545 1_645
O6 Tb2 C21 27.0(5) 1_645 1_645
O4W Tb2 C21 85.6(6) . 1_645
O7W Tb2 C21 73.8(5) . 1_645
O6W Tb2 C21 98.1(5) . 1_645
O5W Tb2 C21 152.1(5) . 1_645
O17 Tb2 C21 80.4(5) 1_545 1_645
O5 Tb2 C21 25.4(5) 1_645 1_645
O24 C1 C2 123.1(16) . .
O24 C1 C6 114.9(15) . .
C2 C1 C6 122.0(14) . .
C3 C2 C1 117.0(16) . .
C3 C2 H2 121.5 . .
C1 C2 H2 121.5 . .
C4 C3 C2 124.8(16) . .
C4 C3 O17 121.3(15) . .
C2 C3 O17 113.8(15) . .
C3 C4 C5 116.8(16) . .
C3 C4 C11 123.0(15) . .
C5 C4 C11 120.0(17) . .
C4 C5 C6 124.6(17) . .
C4 C5 H5 117.7 . .
C6 C5 H5 117.7 . .
C5 C6 C1 114.7(16) . .
C5 C6 C44 126.9(17) . .
C1 C6 C44 118.3(14) . .
O24 C7 C8 116.0(14) . .
O24 C7 H7A 108.3 . .
C8 C7 H7A 108.3 . .
O24 C7 H7B 108.3 . .
C8 C7 H7B 108.3 . .
H7A C7 H7B 107.4 . .
O14 C8 O15 123.1(18) . .
O14 C8 C7 121.0(16) . .
O15 C8 C7 115.8(15) . .
O14 C8 Tb1 60.0(10) . 2_675
O15 C8 Tb1 65.3(10) . 2_675
C7 C8 Tb1 162.0(12) . 2_675
O17 C9 C10 107.1(14) . .
O17 C9 H9A 110.3 . .
C10 C9 H9A 110.3 . .
O17 C9 H9B 110.3 . .
C10 C9 H9B 110.3 . .
H9A C9 H9B 108.5 . .
O1 C10 O2 127.2(19) . .
O1 C10 C9 116.9(17) . .
O2 C10 C9 115.8(16) . .
C4 C11 C45 115.4(15) . .
C4 C11 C12 112.0(15) . .
C45 C11 C12 109.6(14) . .
C4 C11 H11 106.4 . .
C45 C11 H11 106.4 . .
C12 C11 H11 106.4 . .
C17 C12 C13 113.2(14) . .
C17 C12 C11 122.1(15) . .
C13 C12 C11 124.6(15) . .
C14 C13 O18 130.7(16) . .
C14 C13 C12 123.2(16) . .
O18 C13 C12 105.8(13) . .
C13 C14 C15 122.6(17) . .
C13 C14 H14 118.7 . .
C15 C14 H14 118.7 . .
C16 C15 O19 117.8(15) . .
C16 C15 C14 119.8(16) . .
O19 C15 C14 122.4(15) . .
C17 C16 C15 117.2(16) . .
C17 C16 C22 122.0(15) . .
C15 C16 C22 120.7(15) . .
C12 C17 C16 123.5(16) . .
C12 C17 H17 118.3 . .
C16 C17 H17 118.3 . .
O18 C18 C19 113.7(14) . .
O18 C18 H18A 108.8 . .
C19 C18 H18A 108.8 . .
O18 C18 H18B 108.8 . .
C19 C18 H18B 108.8 . .
H18A C18 H18B 107.7 . .
O3 C19 O4 128(2) . .
O3 C19 C18 119.7(17) . .
O4 C19 C18 112.0(17) . .
O19 C20 C21 115.6(16) . .
O19 C20 H20A 108.4 . .
C21 C20 H20A 108.4 . .
O19 C20 H20B 108.4 . .
C21 C20 H20B 108.4 . .
H20A C20 H20B 107.4 . .
O5 C21 O6 122.7(19) . .
O5 C21 C20 126.4(18) . .
O6 C21 C20 110.8(17) . .
O5 C21 Tb2 67.1(12) . 1_465
O6 C21 Tb2 55.7(10) . 1_465
C20 C21 Tb2 166.5(13) . 1_465
C50 C22 C16 112.0(15) . .
C50 C22 C23 114.2(15) . .
C16 C22 C23 110.6(14) . .
C50 C22 H22 106.5 . .
C16 C22 H22 106.5 . .
C23 C22 H22 106.5 . .
C24 C23 C28 117.5(15) . .
C24 C23 C22 120.9(15) . .
C28 C23 C22 121.3(16) . .
C23 C24 O20 120.0(15) . .
C23 C24 C25 122.4(15) . .
O20 C24 C25 117.4(16) . .
C26 C25 C24 119.0(16) . .
C26 C25 H25 120.5 . .
C24 C25 H25 120.5 . .
C25 C26 C27 121.5(16) . .
C25 C26 O21 121.0(17) . .
C27 C26 O21 117.5(16) . .
C26 C27 C28 117.9(15) . .
C26 C27 C33 117.5(16) . .
C28 C27 C33 124.4(17) . .
C27 C28 C23 121.2(18) . .
C27 C28 H28 119.4 . .
C23 C28 H28 119.4 . .
O20 C29 C30 114.8(15) . .
O20 C29 H29A 108.6 . .
C30 C29 H29A 108.6 . .
O20 C29 H29B 108.6 . .
C30 C29 H29B 108.6 . .
H29A C29 H29B 107.5 . .
O8 C30 O7 125.3(19) . .
O8 C30 C29 124.2(17) . .
O7 C30 C29 110.5(17) . .
C32 C31 O21 118.1(17) . .
C32 C31 H31A 107.8 . .
O21 C31 H31A 107.8 . .
C32 C31 H31B 107.8 . .
O21 C31 H31B 107.8 . .
H31A C31 H31B 107.1 . .
O9 C32 O16 119(2) . .
O9 C32 C31 123(2) . .
O16 C32 C31 117.8(17) . .
C34 C33 C27 110.1(15) . .
C34 C33 C55 110.1(16) . .
C27 C33 C55 112.2(16) . .
C39 C34 C35 114.9(15) . .
C39 C34 C33 123.6(15) . .
C35 C34 C33 121.0(16) . .
O22 C35 C36 124.4(15) . .
O22 C35 C34 114.4(15) . .
C36 C35 C34 121.1(16) . .
C37 C36 C35 116.5(17) . .
C37 C36 H36 121.8 . .
C35 C36 H36 121.8 . .
C38 C37 C36 128(2) . .
C38 C37 O23 112(2) . .
C36 C37 O23 116.7(18) . .
C37 C38 C39 113.1(18) . .
C37 C38 C44 126.0(18) . .
C39 C38 C44 120.7(14) . .
C38 C39 C34 124.9(15) . .
C38 C39 H39 117.5 . .
C34 C39 H39 117.5 . .
O22 C40 C41 114.3(15) . .
O22 C40 H40A 108.7 . .
C41 C40 H40A 108.7 . .
O22 C40 H40B 108.7 . .
C41 C40 H40B 108.7 . .
H40A C40 H40B 107.6 . .
O10 C41 O11 125(2) . .
O10 C41 C40 120.4(17) . .
O11 C41 C40 114.1(18) . .
O23 C42 C43 116(2) . .
O23 C42 H42A 108.4 . .
C43 C42 H42A 108.4 . .
O23 C42 H42B 108.4 . .
C43 C42 H42B 108.4 . .
H42A C42 H42B 107.4 . .
O12 C43 O13 124(3) . .
O12 C43 C42 119(3) . .
O13 C43 C42 117(2) . .
C38 C44 C6 114.7(15) . .
C38 C44 C59 108.9(15) . .
C6 C44 C59 114.1(15) . .
C38 C44 H44 106.2 . .
C6 C44 H44 106.2 . .
C59 C44 H44 106.2 . .
C46 C45 C11 117.7(18) . .
C46 C45 H45A 107.9 . .
C11 C45 H45A 107.9 . .
C46 C45 H45B 107.9 . .
C11 C45 H45B 107.9 . .
H45A C45 H45B 107.2 . .
C47 C46 C45 113(3) . .
C47 C46 H46A 108.9 . .
C45 C46 H46A 108.9 . .
C47 C46 H46B 108.9 . .
C45 C46 H46B 108.9 . .
H46A C46 H46B 107.7 . .
C46 C47 C48 116(3) . .
C46 C47 H47A 108.3 . .
C48 C47 H47A 108.3 . .
C46 C47 H47B 108.3 . .
C48 C47 H47B 108.3 . .
H47A C47 H47B 107.4 . .
C47 C48 C49 118(4) . .
C47 C48 H48A 107.7 . .
C49 C48 H48A 107.7 . .
C47 C48 H48B 107.7 . .
C49 C48 H48B 107.7 . .
H48A C48 H48B 107.1 . .
C48 C49 H49A 109.5 . .
C48 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C48 C49 H49C 109.5 . .
H49A C49 H49C 109.5 . .
H49B C49 H49C 109.5 . .
C51 C50 C22 113.1(17) . .
C51 C50 H50A 109.0 . .
C22 C50 H50A 109.0 . .
C51 C50 H50B 109.0 . .
C22 C50 H50B 109.0 . .
H50A C50 H50B 107.8 . .
C50 C51 C52 114(2) . .
C50 C51 H51A 108.8 . .
C52 C51 H51A 108.8 . .
C50 C51 H51B 108.8 . .
C52 C51 H51B 108.8 . .
H51A C51 H51B 107.7 . .
C53 C52 C51 116(3) . .
C53 C52 H52A 108.3 . .
C51 C52 H52A 108.3 . .
C53 C52 H52B 108.3 . .
C51 C52 H52B 108.3 . .
H52A C52 H52B 107.4 . .
C54 C53 C52 122(5) . .
C54 C53 H53A 106.9 . .
C52 C53 H53A 106.9 . .
C54 C53 H53B 106.9 . .
C52 C53 H53B 106.9 . .
H53A C53 H53B 106.7 . .
C53 C54 H54A 109.5 . .
C53 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C56 C55 C33 113(3) . .
C56 C55 H55A 108.9 . .
C33 C55 H55A 108.9 . .
C56 C55 H55B 108.9 . .
C33 C55 H55B 108.9 . .
H55A C55 H55B 107.7 . .
C55 C56 C57 115(4) . .
C55 C56 H56A 108.4 . .
C57 C56 H56A 108.4 . .
C55 C56 H56B 108.4 . .
C57 C56 H56B 108.4 . .
H56A C56 H56B 107.5 . .
C58 C57 C56 110(5) . .
C58 C57 H57A 109.6 . .
C56 C57 H57A 109.6 . .
C58 C57 H57B 109.6 . .
C56 C57 H57B 109.6 . .
H57A C57 H57B 108.1 . .
C57 C58 C64 98(5) . .
C57 C58 H58A 112.2 . .
C64 C58 H58A 112.2 . .
C57 C58 H58B 112.2 . .
C64 C58 H58B 112.2 . .
H58A C58 H58B 109.8 . .
C60 C59 C44 110(2) . .
C60 C59 H59A 109.6 . .
C44 C59 H59A 109.6 . .
C60 C59 H59B 109.6 . .
C44 C59 H59B 109.6 . .
H59A C59 H59B 108.1 . .
C59 C60 C61 113(3) . .
C62 C61 C60 99(3) . .
C62 C61 H61A 112.0 . .
C60 C61 H61A 112.0 . .
C62 C61 H61B 112.0 . .
C60 C61 H61B 112.0 . .
H61A C61 H61B 109.6 . .
C61 C62 C63 86(5) . .
C62 C63 H63A 109.5 . .
C62 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C62 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C58 C64 H64A 109.5 . .
C58 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C58 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
N1 C65 H65A 109.5 . .
N1 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
N1 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
N1 C66 H66A 109.5 . .
N1 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
N1 C66 H66C 109.5 . .
H66A C66 H66C 109.5 . .
H66B C66 H66C 109.5 . .
C65 N1 C66 109(2) . .
C10 O1 Tb2 132.6(13) . 1_565
C10 O2 Tb1 141.8(12) . .
C19 O3 Tb1 138.9(15) . .
C21 O5 Tb2 87.6(12) . 1_465
C21 O6 Tb2 97.3(12) . 1_465
C30 O7 Tb1 135.2(11) . .
C32 O9 H9 109.5 . .
C41 O11 Tb2 143.0(15) . .
C8 O14 Tb1 93.7(11) . 2_675
C8 O15 Tb1 87.1(10) . 2_675
C9 O17 C3 112.8(12) . .
C9 O17 Tb2 121.4(10) . 1_565
C3 O17 Tb2 123.7(9) . 1_565
C18 O18 C13 109.8(12) . .
C15 O19 C20 118.5(13) . .
C24 O20 C29 114.7(15) . .
C26 O21 C31 115.2(15) . .
C35 O22 C40 118.8(13) . .
C42 O23 C37 120.6(16) . .
C1 O24 C7 117.3(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O3 2.306(16) .
Tb1 O7 2.303(13) .
Tb1 O2 2.355(12) .
Tb1 O14 2.387(13) 2_675
Tb1 O3W 2.428(14) .
Tb1 O1W 2.401(16) .
Tb1 O2W 2.481(12) .
Tb1 O15 2.501(12) 2_675
Tb1 C8 2.749(19) 2_675
Tb2 O11 2.300(14) .
Tb2 O1 2.358(13) 1_545
Tb2 O6 2.393(15) 1_645
Tb2 O4W 2.401(13) .
Tb2 O7W 2.439(15) .
Tb2 O6W 2.448(14) .
Tb2 O5W 2.492(12) .
Tb2 O17 2.607(12) 1_545
Tb2 O5 2.648(17) 1_645
Tb2 C21 2.872(19) 1_645
C1 O24 1.389(18) .
C1 C2 1.38(2) .
C1 C6 1.43(3) .
C2 C3 1.41(2) .
C2 H2 0.9300 .
C3 C4 1.32(3) .
C3 O17 1.43(2) .
C4 C5 1.39(2) .
C4 C11 1.52(2) .
C5 C6 1.40(2) .
C5 H5 0.9300 .
C6 C44 1.49(2) .
C7 O24 1.42(2) .
C7 C8 1.52(3) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 O14 1.22(2) .
C8 O15 1.28(2) .
C8 Tb1 2.749(19) 2_675
C9 O17 1.42(2) .
C9 C10 1.57(3) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 O1 1.23(2) .
C10 O2 1.25(2) .
C11 C45 1.51(3) .
C11 C12 1.57(2) .
C11 H11 0.9800 .
C12 C17 1.36(2) .
C12 C13 1.53(2) .
C13 C14 1.16(2) .
C13 O18 1.454(19) .
C14 C15 1.41(3) .
C14 H14 0.9300 .
C15 C16 1.38(2) .
C15 O19 1.393(19) .
C16 C17 1.38(2) .
C16 C22 1.54(2) .
C17 H17 0.9300 .
C18 O18 1.46(2) .
C18 C19 1.55(3) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 O3 1.23(2) .
C19 O4 1.26(2) .
C20 O19 1.42(2) .
C20 C21 1.52(3) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 O5 1.23(2) .
C21 O6 1.31(2) .
C21 Tb2 2.872(19) 1_465
C22 C50 1.51(3) .
C22 C23 1.54(2) .
C22 H22 0.9800 .
C23 C24 1.37(2) .
C23 C28 1.42(2) .
C24 O20 1.38(2) .
C24 C25 1.38(2) .
C25 C26 1.41(2) .
C25 H25 0.9300 .
C26 C27 1.37(3) .
C26 O21 1.40(2) .
C27 C28 1.43(2) .
C27 C33 1.53(2) .
C28 H28 0.9300 .
C29 O20 1.44(2) .
C29 C30 1.50(3) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 O8 1.22(2) .
C30 O7 1.29(2) .
C31 C32 1.46(3) .
C31 O21 1.39(2) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 O9 1.24(2) .
C32 O16 1.33(2) .
C33 C34 1.50(2) .
C33 C55 1.59(3) .
C34 C39 1.40(2) .
C34 C35 1.42(2) .
C35 O22 1.37(2) .
C35 C36 1.38(3) .
C36 C37 1.36(3) .
C36 H36 0.9300 .
C37 C38 1.32(3) .
C37 O23 1.48(3) .
C38 C39 1.39(2) .
C38 C44 1.50(2) .
C39 H39 0.9300 .
C40 O22 1.422(17) .
C40 C41 1.53(3) .
C40 H40A 0.9700 .
C40 H40B 0.9700 .
C41 O10 1.24(2) .
C41 O11 1.25(2) .
C42 O23 1.43(2) .
C42 C43 1.49(4) .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C43 O12 1.20(3) .
C43 O13 1.26(3) .
C44 C59 1.55(3) .
C44 H44 0.9800 .
C45 C46 1.52(3) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 C47 1.45(4) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 C48 1.41(5) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C48 C49 1.52(6) .
C48 H48A 0.9700 .
C48 H48B 0.9700 .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 C51 1.53(3) .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C51 C52 1.54(4) .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C52 C53 1.47(4) .
C52 H52A 0.9700 .
C52 H52B 0.9700 .
C53 C54 1.42(6) .
C53 H53A 0.9700 .
C53 H53B 0.9700 .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C55 C56 1.54(5) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 C57 1.50(7) .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C57 C58 1.583(10) .
C57 H57A 0.9700 .
C57 H57B 0.9700 .
C58 C64 1.584(10) .
C58 H58A 0.9700 .
C58 H58B 0.9700 .
C59 C60 1.55(4) .
C59 H59A 0.9700 .
C59 H59B 0.9700 .
C60 C61 1.66(6) .
C61 C62 1.62(7) .
C61 H61A 0.9700 .
C61 H61B 0.9700 .
C62 C63 1.61(7) .
C63 H63A 0.9600 .
C63 H63B 0.9600 .
C63 H63C 0.9600 .
C64 H64A 0.9600 .
C64 H64B 0.9600 .
C64 H64C 0.9600 .
C65 N1 1.50(4) .
C65 H65A 0.9600 .
C65 H65B 0.9600 .
C65 H65C 0.9600 .
C66 N1 1.50(3) .
C66 H66A 0.9600 .
C66 H66B 0.9600 .
C66 H66C 0.9600 .
O1 Tb2 2.358(13) 1_565
O5 Tb2 2.648(17) 1_465
O6 Tb2 2.393(14) 1_465
O9 H9 0.8200 .
O14 Tb1 2.387(13) 2_675
O15 Tb1 2.501(12) 2_675
O17 Tb2 2.607(12) 1_565
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_4
O24 C1 C2 C3 175.2(15) . .
C6 C1 C2 C3 -2(2) . .
C1 C2 C3 C4 4(3) . .
C1 C2 C3 O17 -171.7(14) . .
C2 C3 C4 C5 -3(3) . .
O17 C3 C4 C5 172.5(15) . .
C2 C3 C4 C11 -177.4(15) . .
O17 C3 C4 C11 -2(3) . .
C3 C4 C5 C6 0(3) . .
C11 C4 C5 C6 174.2(16) . .
C4 C5 C6 C1 2(3) . .
C4 C5 C6 C44 -173.1(17) . .
O24 C1 C6 C5 -178.3(15) . .
C2 C1 C6 C5 -1(2) . .
O24 C1 C6 C44 -3(2) . .
C2 C1 C6 C44 174.8(15) . .
O24 C7 C8 O14 16(2) . .
O24 C7 C8 O15 -166.5(14) . .
O24 C7 C8 Tb1 104(4) . 2_675
O17 C9 C10 O1 3(2) . .
O17 C9 C10 O2 -174.2(15) . .
C3 C4 C11 C45 135.6(18) . .
C5 C4 C11 C45 -38(2) . .
C3 C4 C11 C12 -98(2) . .
C5 C4 C11 C12 88(2) . .
C4 C11 C12 C17 -47(2) . .
C45 C11 C12 C17 82(2) . .
C4 C11 C12 C13 137.1(17) . .
C45 C11 C12 C13 -94(2) . .
C17 C12 C13 C14 -6(3) . .
C11 C12 C13 C14 170.4(18) . .
C17 C12 C13 O18 -180.0(15) . .
C11 C12 C13 O18 -4(2) . .
O18 C13 C14 C15 -179.9(17) . .
C12 C13 C14 C15 7(3) . .
C13 C14 C15 C16 -3(3) . .
C13 C14 C15 O19 176.2(18) . .
O19 C15 C16 C17 177.3(16) . .
C14 C15 C16 C17 -4(3) . .
O19 C15 C16 C22 1(3) . .
C14 C15 C16 C22 179.5(17) . .
C13 C12 C17 C16 -1(3) . .
C11 C12 C17 C16 -177.2(17) . .
C15 C16 C17 C12 5(3) . .
C22 C16 C17 C12 -178.2(17) . .
O18 C18 C19 O3 17(2) . .
O18 C18 C19 O4 -167.6(15) . .
O19 C20 C21 O5 17(3) . .
O19 C20 C21 O6 -166.8(15) . .
O19 C20 C21 Tb2 -166(5) . 1_465
C17 C16 C22 C50 -76(2) . .
C15 C16 C22 C50 101(2) . .
C17 C16 C22 C23 53(2) . .
C15 C16 C22 C23 -130.4(18) . .
C50 C22 C23 C24 -167.1(17) . .
C16 C22 C23 C24 65(2) . .
C50 C22 C23 C28 8(2) . .
C16 C22 C23 C28 -120.0(18) . .
C28 C23 C24 O20 177.0(15) . .
C22 C23 C24 O20 -8(3) . .
C28 C23 C24 C25 -8(3) . .
C22 C23 C24 C25 167.3(16) . .
C23 C24 C25 C26 7(3) . .
O20 C24 C25 C26 -177.3(16) . .
C24 C25 C26 C27 -4(3) . .
C24 C25 C26 O21 179.2(17) . .
C25 C26 C27 C28 1(3) . .
O21 C26 C27 C28 178.3(16) . .
C25 C26 C27 C33 176.5(17) . .
O21 C26 C27 C33 -6(3) . .
C26 C27 C28 C23 -2(3) . .
C33 C27 C28 C23 -176.6(16) . .
C24 C23 C28 C27 5(3) . .
C22 C23 C28 C27 -170.1(15) . .
O20 C29 C30 O8 16(3) . .
O20 C29 C30 O7 -165.6(15) . .
O21 C31 C32 O9 150.5(18) . .
O21 C31 C32 O16 -37(3) . .
C26 C27 C33 C34 -84(2) . .
C28 C27 C33 C34 91(2) . .
C26 C27 C33 C55 153.2(17) . .
C28 C27 C33 C55 -32(2) . .
C27 C33 C34 C39 -43(3) . .
C55 C33 C34 C39 81(2) . .
C27 C33 C34 C35 144.4(18) . .
C55 C33 C34 C35 -91(2) . .
C39 C34 C35 O22 -178.3(17) . .
C33 C34 C35 O22 -5(3) . .
C39 C34 C35 C36 4(3) . .
C33 C34 C35 C36 177.5(19) . .
O22 C35 C36 C37 -175(2) . .
C34 C35 C36 C37 2(3) . .
C35 C36 C37 C38 -14(4) . .
C35 C36 C37 O23 -171(2) . .
C36 C37 C38 C39 17(4) . .
O23 C37 C38 C39 175.2(18) . .
C36 C37 C38 C44 -168(2) . .
O23 C37 C38 C44 -10(3) . .
C37 C38 C39 C34 -9(3) . .
C44 C38 C39 C34 175.9(18) . .
C35 C34 C39 C38 -1(3) . .
C33 C34 C39 C38 -173.6(19) . .
O22 C40 C41 O10 4(3) . .
O22 C40 C41 O11 180.0(15) . .
O23 C42 C43 O12 159(2) . .
O23 C42 C43 O13 -22(3) . .
C37 C38 C44 C6 -116(2) . .
C39 C38 C44 C6 58(2) . .
C37 C38 C44 C59 115(2) . .
C39 C38 C44 C59 -71(2) . .
C5 C6 C44 C38 -113(2) . .
C1 C6 C44 C38 72(2) . .
C5 C6 C44 C59 14(3) . .
C1 C6 C44 C59 -161.3(17) . .
C4 C11 C45 C46 -58(2) . .
C12 C11 C45 C46 174.5(17) . .
C11 C45 C46 C47 168(3) . .
C45 C46 C47 C48 -169(4) . .
C46 C47 C48 C49 -173(4) . .
C16 C22 C50 C51 -61(2) . .
C23 C22 C50 C51 172.5(17) . .
C22 C50 C51 C52 177(2) . .
C50 C51 C52 C53 -176(3) . .
C51 C52 C53 C54 179(4) . .
C34 C33 C55 C56 169(3) . .
C27 C33 C55 C56 -68(3) . .
C33 C55 C56 C57 170(4) . .
C55 C56 C57 C58 -171(4) . .
C56 C57 C58 C64 -36(7) . .
C38 C44 C59 C60 -58(2) . .
C6 C44 C59 C60 173(2) . .
C44 C59 C60 C61 173(3) . .
C59 C60 C61 C62 -88(4) . .
C60 C61 C62 C63 -169(4) . .
O2 C10 O1 Tb2 174.5(13) . 1_565
C9 C10 O1 Tb2 -3(3) . 1_565
O1 C10 O2 Tb1 153.3(15) . .
C9 C10 O2 Tb1 -30(3) . .
O3 Tb1 O2 C10 -34.2(19) . .
O7 Tb1 O2 C10 62.4(19) . .
O14 Tb1 O2 C10 159.2(19) 2_675 .
O3W Tb1 O2 C10 11(2) . .
O1W Tb1 O2 C10 -113.4(19) . .
O2W Tb1 O2 C10 -138.4(18) . .
O15 Tb1 O2 C10 131.6(18) 2_675 .
C8 Tb1 O2 C10 150.1(19) 2_675 .
O4 C19 O3 Tb1 -8(3) . .
C18 C19 O3 Tb1 166.5(13) . .
O7 Tb1 O3 C19 156.6(19) . .
O2 Tb1 O3 C19 -126(2) . .
O14 Tb1 O3 C19 -101(2) 2_675 .
O3W Tb1 O3 C19 78.7(19) . .
O1W Tb1 O3 C19 -55.0(19) . .
O2W Tb1 O3 C19 10(2) . .
O15 Tb1 O3 C19 87(2) 2_675 .
C8 Tb1 O3 C19 -72(6) 2_675 .
O6 C21 O5 Tb2 3.2(18) . 1_465
C20 C21 O5 Tb2 179.3(18) . 1_465
O5 C21 O6 Tb2 -4(2) . 1_465
C20 C21 O6 Tb2 179.8(12) . 1_465
O8 C30 O7 Tb1 -99(2) . .
C29 C30 O7 Tb1 82(2) . .
O3 Tb1 O7 C30 -88.1(19) . .
O2 Tb1 O7 C30 -165.7(19) . .
O14 Tb1 O7 C30 121.8(18) 2_675 .
O3W Tb1 O7 C30 -13.1(18) . .
O1W Tb1 O7 C30 -158.4(17) . .
O2W Tb1 O7 C30 36(2) . .
O15 Tb1 O7 C30 70.3(18) 2_675 .
C8 Tb1 O7 C30 95.8(19) 2_675 .
O10 C41 O11 Tb2 0(4) . .
C40 C41 O11 Tb2 -175.1(14) . .
O1 Tb2 O11 C41 49(2) 1_545 .
O6 Tb2 O11 C41 -177(2) 1_645 .
O4W Tb2 O11 C41 88(2) . .
O7W Tb2 O11 C41 -101(2) . .
O6W Tb2 O11 C41 -55(2) . .
O5W Tb2 O11 C41 -20(2) . .
O17 Tb2 O11 C41 111(2) 1_545 .
O5 Tb2 O11 C41 -164(2) 1_645 .
C21 Tb2 O11 C41 -172(2) 1_645 .
O15 C8 O14 Tb1 -17.9(18) . 2_675
C7 C8 O14 Tb1 159.1(14) . 2_675
O14 C8 O15 Tb1 17.0(17) . 2_675
C7 C8 O15 Tb1 -160.1(13) . 2_675
C10 C9 O17 C3 160.9(14) . .
C10 C9 O17 Tb2 -2.8(19) . 1_565
C4 C3 O17 C9 85(2) . .
C2 C3 O17 C9 -99.2(17) . .
C4 C3 O17 Tb2 -112.2(16) . 1_565
C2 C3 O17 Tb2 64.0(16) . 1_565
C19 C18 O18 C13 62.8(18) . .
C14 C13 O18 C18 12(3) . .
C12 C13 O18 C18 -174.7(13) . .
C16 C15 O19 C20 -151.6(17) . .
C14 C15 O19 C20 30(3) . .
C21 C20 O19 C15 -93(2) . .
C23 C24 O20 C29 -97.1(19) . .
C25 C24 O20 C29 87(2) . .
C30 C29 O20 C24 -103(2) . .
C25 C26 O21 C31 46(3) . .
C27 C26 O21 C31 -130.8(19) . .
C32 C31 O21 C26 -95(2) . .
C36 C35 O22 C40 -12(3) . .
C34 C35 O22 C40 170.9(16) . .
C41 C40 O22 C35 84(2) . .
C43 C42 O23 C37 -68(3) . .
C38 C37 O23 C42 -165(2) . .
C36 C37 O23 C42 -5(3) . .
C2 C1 O24 C7 -32(2) . .
C6 C1 O24 C7 145.6(15) . .
C8 C7 O24 C1 88.2(19) . .
