#------------------------------------------------------------------------------
#$Date: 2016-03-05 11:37:20 +0200 (Sat, 05 Mar 2016) $
#$Revision: 177793 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/77/7037760.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_7037760
loop_
_publ_author_name
'Li, Jia-Jia'
'Fan, Ting-Ting'
'Qu, Xiang-Long'
'Han, Hong-Liang'
'Li, Xia'
_publ_section_title
;
 Temperature-induced 1D lanthanide polymeric frameworks based on Lnn (n =
 2, 2, 4, 6) cores: synthesis, crystal structures and luminescence
 properties.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2924
_journal_page_last               2935
_journal_paper_doi               10.1039/c5dt04262c
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C66 H22 F24 N4 O12 Tb2'
_chemical_formula_weight         1836.71
_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'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2015-12-21 deposited with the CCDC.
2015-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.738(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.7029(11)
_cell_length_b                   25.668(2)
_cell_length_c                   19.3097(15)
_cell_measurement_reflns_used    9129
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.64
_cell_measurement_theta_min      2.73
_cell_volume                     6431.7(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1041
_diffrn_reflns_av_unetI/netI     0.1125
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            36456
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.367
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.318
_exptl_absorpt_correction_T_max  0.6940
_exptl_absorpt_correction_T_min  0.6542
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.897
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3552
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.170
_refine_diff_density_max         0.896
_refine_diff_density_min         -0.866
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     986
_refine_ls_number_reflns         11328
_refine_ls_number_restraints     612
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.1061
_refine_ls_R_factor_gt           0.0528
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0352P)²+0.6442P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0979
_refine_ls_wR_factor_ref         0.1217
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6763
_reflns_number_total             11328
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt04262c2.cif
_cod_data_source_block           11
_cod_depositor_comments
'Adding full bibliography for 7037751--7037761.cif.'
_cod_original_cell_volume        6431.8(9)
_cod_database_code               7037760
_audit_block_doi                 10.5517/cc14bpz4
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.654
_shelx_estimated_absorpt_t_max   0.694
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 0.16241(3) 0.70736(2) 0.57953(2) 0.03460(13) Uani 1 1 d . . . . .
Tb2 Tb 0.18971(3) 0.76436(2) 0.36443(2) 0.03550(13) Uani 1 1 d . . . . .
C1 C -0.0352(8) 0.6166(4) 0.5587(5) 0.061(3) Uani 1 1 d . U . . .
H1 H -0.0751 0.6463 0.5434 0.073 Uiso 1 1 calc R U . . .
C2 C -0.0850(9) 0.5682(5) 0.5492(6) 0.070(3) Uani 1 1 d . U . . .
H2 H -0.1560 0.5658 0.5272 0.084 Uiso 1 1 calc R U . . .
C3 C -0.0263(10) 0.5249(5) 0.5733(6) 0.075(3) Uani 1 1 d . U . . .
H3 H -0.0583 0.4925 0.5675 0.090 Uiso 1 1 calc R U . . .
C4 C 0.0783(9) 0.5276(4) 0.6056(5) 0.063(3) Uani 1 1 d . U . . .
C5 C 0.1471(10) 0.4849(4) 0.6299(6) 0.077(3) Uani 1 1 d . U . . .
H5 H 0.1197 0.4514 0.6246 0.092 Uiso 1 1 calc R U . . .
C6 C 0.2466(10) 0.4903(5) 0.6591(6) 0.085(4) Uani 1 1 d . U . . .
H6 H 0.2874 0.4608 0.6736 0.103 Uiso 1 1 calc R U . . .
C7 C 0.2937(10) 0.5396(4) 0.6693(6) 0.070(3) Uani 1 1 d . U . . .
C8 C 0.3990(10) 0.5495(5) 0.7033(6) 0.084(4) Uani 1 1 d . U . . .
H8 H 0.4435 0.5215 0.7193 0.101 Uiso 1 1 calc R U . . .
C9 C 0.4380(9) 0.5976(5) 0.7136(6) 0.076(3) Uani 1 1 d . U . . .
H9 H 0.5079 0.6031 0.7369 0.092 Uiso 1 1 calc R U . . .
C10 C 0.3706(8) 0.6395(4) 0.6884(5) 0.058(3) Uani 1 1 d . U . . .
H10 H 0.3972 0.6732 0.6955 0.069 Uiso 1 1 calc R U . . .
C11 C 0.2313(8) 0.5844(4) 0.6459(5) 0.046(2) Uani 1 1 d . U . . .
C12 C 0.1235(7) 0.5785(4) 0.6124(5) 0.045(2) Uani 1 1 d . U . . .
C13 C 0.0106(8) 0.8581(4) 0.2772(5) 0.059(3) Uani 1 1 d . U . . .
H13 H -0.0315 0.8288 0.2686 0.070 Uiso 1 1 calc R U . . .
C14 C -0.0363(9) 0.9066(5) 0.2574(6) 0.073(3) Uani 1 1 d . U . . .
H14 H -0.1070 0.9092 0.2342 0.088 Uiso 1 1 calc R U . . .
C15 C 0.0237(8) 0.9496(4) 0.2729(5) 0.064(3) Uani 1 1 d . U . . .
H15 H -0.0064 0.9823 0.2617 0.077 Uiso 1 1 calc R U . . .
C16 C 0.1299(9) 0.9457(4) 0.3054(5) 0.060(3) Uani 1 1 d . U . . .
C17 C 0.1974(9) 0.9901(4) 0.3249(6) 0.071(3) Uani 1 1 d . U . . .
H17 H 0.1708 1.0236 0.3153 0.085 Uiso 1 1 calc R U . . .
C18 C 0.2989(9) 0.9828(4) 0.3570(6) 0.076(3) Uani 1 1 d . U . . .
H18 H 0.3415 1.0118 0.3706 0.092 Uiso 1 1 calc R U . . .
C19 C 0.3438(8) 0.9322(4) 0.3711(5) 0.059(3) Uani 1 1 d . U . . .
C20 C 0.4498(9) 0.9243(5) 0.4024(6) 0.075(3) Uani 1 1 d . U . . .
H57 H 0.4945 0.9526 0.4148 0.090 Uiso 1 1 calc R U . . .
C21 C 0.4873(8) 0.8741(4) 0.4148(5) 0.066(3) Uani 1 1 d . U . . .
H21 H 0.5576 0.8681 0.4357 0.079 Uiso 1 1 calc R U . . .
C22 C 0.4183(8) 0.8326(4) 0.3956(5) 0.056(3) Uani 1 1 d . U . . .
H22 H 0.4446 0.7990 0.4032 0.067 Uiso 1 1 calc R U . . .
C23 C 0.2788(8) 0.8878(4) 0.3532(5) 0.047(2) Uani 1 1 d . U . . .
C24 C 0.1711(7) 0.8948(4) 0.3214(4) 0.043(2) Uani 1 1 d . U . . .
C25 C 0.2990(6) 0.7237(3) 0.2393(5) 0.036(2) Uani 1 1 d . U . . .
C32 C 0.1860(6) 0.6420(3) 0.4294(5) 0.037(2) Uani 1 1 d . U . . .
C33 C 0.2211(7) 0.5892(4) 0.4112(5) 0.053(2) Uani 1 1 d . U . . .
C34 C 0.1941(9) 0.5703(5) 0.3413(7) 0.074(3) Uani 1 1 d . U . . .
C35 C 0.2353(10) 0.5235(5) 0.3236(8) 0.087(4) Uani 1 1 d . U . . .
C36 C 0.2968(11) 0.4982(5) 0.3784(10) 0.098(4) Uani 1 1 d . U . . .
C37 C 0.3244(12) 0.5132(6) 0.4466(9) 0.108(5) Uani 1 1 d . U . . .
C38 C 0.2868(9) 0.5592(4) 0.4674(7) 0.079(3) Uani 1 1 d . U . . .
H38 H 0.3044 0.5692 0.5161 0.095 Uiso 1 1 calc R U . . .
C39 C 0.3746(7) 0.7234(3) 0.5210(5) 0.039(2) Uani 1 1 d . U . . .
C46 C 0.1642(7) 0.8302(3) 0.5122(5) 0.040(2) Uani 1 1 d . U . . .
C53 C 0.0229(6) 0.7467(3) 0.1849(5) 0.039(2) Uani 1 1 d . U . . .
C60 C -0.0192(7) 0.7398(4) 0.4194(5) 0.043(2) Uani 1 1 d . U . . .
F1 F 0.4377(5) 0.6256(3) 0.0778(3) 0.096(2) Uani 1 1 d . U . . .
F2 F 0.4966(6) 0.5465(3) 0.1748(4) 0.114(3) Uani 1 1 d . U . . .
F3 F 0.4638(6) 0.5532(3) 0.3053(4) 0.123(3) Uani 1 1 d . U . . .
F4 F 0.3736(5) 0.6349(2) 0.3400(3) 0.0775(19) Uani 1 1 d . U . . .
F5 F 0.1324(6) 0.5947(3) 0.2841(4) 0.130(3) Uani 1 1 d . U . . .
F6 F 0.2097(7) 0.5076(4) 0.2550(5) 0.165(4) Uani 1 1 d . U . . .
F7 F 0.3403(8) 0.4514(3) 0.3624(6) 0.188(4) Uani 1 1 d . U . . .
F8 F 0.3871(9) 0.4853(4) 0.5029(6) 0.197(5) Uani 1 1 d . U . . .
F9 F 0.6542(6) 0.6302(3) 0.4740(4) 0.144(3) Uani 1 1 d . U . . .
F10 F 0.7809(5) 0.6464(4) 0.6104(4) 0.137(3) Uani 1 1 d . U . . .
F11 F 0.7185(5) 0.7047(4) 0.7038(4) 0.140(3) Uani 1 1 d . U . . .
F12 F 0.5274(5) 0.7418(3) 0.6655(3) 0.107(3) Uani 1 1 d . U . . .
F13 F 0.2549(8) 1.0141(3) 0.5253(5) 0.166(4) Uani 1 1 d . U . . .
F14 F 0.1081(8) 1.0367(3) 0.5900(5) 0.168(4) Uani 1 1 d . U . . .
F15 F -0.0113(8) 0.9603(4) 0.6135(5) 0.177(4) Uani 1 1 d . U . . .
F16 F 0.0103(7) 0.8644(3) 0.5764(5) 0.141(3) Uani 1 1 d . U . . .
F17 F -0.1830(7) 0.6120(3) 0.2462(4) 0.148(3) Uani 1 1 d . U . . .
F18 F -0.3362(6) 0.6241(3) 0.1185(5) 0.166(4) Uani 1 1 d . U . . .
F19 F -0.3195(6) 0.6976(4) 0.0218(5) 0.146(3) Uani 1 1 d . U . . .
F20 F -0.1545(5) 0.7551(3) 0.0505(4) 0.115(3) Uani 1 1 d . U . . .
N1 N 0.0660(6) 0.6223(3) 0.5882(4) 0.0453(19) Uani 1 1 d . . . . .
N2 N 0.2708(6) 0.6332(3) 0.6548(4) 0.0455(19) Uani 1 1 d . . . . .
N3 N 0.1101(6) 0.8513(3) 0.3071(4) 0.0451(19) Uani 1 1 d . . . . .
N4 N 0.3167(6) 0.8387(3) 0.3668(4) 0.045(2) Uani 1 1 d . . . . .
O1 O 0.2980(4) 0.7303(2) 0.3041(3) 0.0448(15) Uani 1 1 d . . . . .
O2 O 0.2617(4) 0.7543(2) 0.1881(3) 0.0442(16) Uani 1 1 d . . . . .
O3 O 0.1599(5) 0.6758(2) 0.3818(3) 0.0516(17) Uani 1 1 d . . . . .
O4 O 0.1900(5) 0.6464(2) 0.4952(3) 0.0505(16) Uani 1 1 d . . . . .
O5 O 0.3389(4) 0.7367(2) 0.4563(3) 0.0475(16) Uani 1 1 d . . . . .
O6 O 0.3282(4) 0.7232(2) 0.5671(3) 0.0462(16) Uani 1 1 d . . . . .
O7 O 0.2022(5) 0.8244(2) 0.4612(3) 0.0494(16) Uani 1 1 d . . . . .
O8 O 0.1423(5) 0.7953(2) 0.5485(3) 0.0479(16) Uani 1 1 d . . . . .
O9 O 0.0794(5) 0.7445(2) 0.2496(3) 0.0519(17) Uani 1 1 d . . . . .
O10 O 0.0397(4) 0.7726(2) 0.1349(3) 0.0452(15) Uani 1 1 d . . . . .
O11 O 0.0295(4) 0.7632(2) 0.3852(3) 0.0476(16) Uani 1 1 d . . . . .
O12 O 0.0160(4) 0.7113(2) 0.4752(3) 0.0498(16) Uani 1 1 d . . . . .
C40 C 0.4856(4) 0.7064(2) 0.5459(3) 0.045(2) Uani 1 1 d G U . . .
C41 C 0.5185(5) 0.6774(3) 0.4968(3) 0.061(3) Uani 1 1 d G U . . .
H41 H 0.4740 0.6714 0.4498 0.074 Uiso 1 1 calc R U . . .
C42 C 0.6180(6) 0.6574(3) 0.5180(4) 0.082(4) Uani 1 1 d G U . . .
C43 C 0.6846(4) 0.6663(3) 0.5883(4) 0.080(4) Uani 1 1 d G U . . .
C44 C 0.6516(5) 0.6953(3) 0.6374(3) 0.081(4) Uani 1 1 d G U . . .
C45 C 0.5521(5) 0.7153(3) 0.6162(3) 0.060(3) Uani 1 1 d G U . . .
C47 C 0.1455(6) 0.8856(2) 0.5299(4) 0.049(2) Uani 1 1 d G U . . .
C48 C 0.2077(5) 0.9247(3) 0.5170(4) 0.080(3) Uani 1 1 d G U . . .
H48 H 0.2573 0.9167 0.4952 0.096 Uiso 1 1 calc R U . . .
C49 C 0.1957(7) 0.9758(3) 0.5366(5) 0.094(4) Uani 1 1 d G U . . .
C50 C 0.1216(8) 0.9878(2) 0.5691(5) 0.100(4) Uani 1 1 d G U . . .
C51 C 0.0594(6) 0.9487(3) 0.5821(4) 0.098(4) Uani 1 1 d G U . . .
C52 C 0.0714(5) 0.8976(3) 0.5624(4) 0.072(3) Uani 1 1 d G U . . .
C54 C -0.0751(4) 0.7149(2) 0.1662(3) 0.040(2) Uani 1 1 d G U . . .
C55 C -0.0836(5) 0.6784(2) 0.2171(3) 0.059(3) Uani 1 1 d G U . . .
H55 H -0.0306 0.6746 0.2613 0.071 Uiso 1 1 calc R U . . .
C56 C -0.1713(6) 0.6475(2) 0.2021(4) 0.077(3) Uani 1 1 d G U . . .
C57 C -0.2506(5) 0.6532(3) 0.1362(5) 0.089(4) Uani 1 1 d G U . . .
C58 C -0.2421(5) 0.6897(3) 0.0853(4) 0.085(4) Uani 1 1 d G U . . .
C59 C -0.1544(5) 0.7206(2) 0.1003(3) 0.059(3) Uani 1 1 d G U . . .
C26 C 0.3534(4) 0.67534(19) 0.2247(3) 0.036(2) Uani 1 1 d G U . . .
C27 C 0.3707(4) 0.6726(2) 0.1578(3) 0.051(3) Uani 1 1 d G U . . .
H27 H 0.3498 0.6998 0.1244 0.061 Uiso 1 1 calc R U . . .
C28 C 0.4192(5) 0.6292(3) 0.1406(3) 0.062(3) Uani 1 1 d G U . . .
C29 C 0.4503(5) 0.5886(2) 0.1905(4) 0.071(3) Uani 1 1 d G U . . .
C30 C 0.4330(5) 0.5913(2) 0.2575(3) 0.064(3) Uani 1 1 d G U . . .
C31 C 0.3845(5) 0.6347(2) 0.2746(2) 0.049(2) Uani 1 1 d G U . . .
C61 C -0.1352(5) 0.7503(5) 0.3902(4) 0.038(5) Uani 0.644(12) 1 d G U P A 1
C62 C -0.2026(8) 0.7082(3) 0.3767(4) 0.062(5) Uani 0.644(12) 1 d DG U P A 1
C63 C -0.3084(7) 0.7167(5) 0.3521(4) 0.076(6) Uani 0.644(12) 1 d DG U P A 1
C64 C -0.3468(5) 0.7672(6) 0.3411(4) 0.067(5) Uani 0.644(12) 1 d DG U P A 1
C65 C -0.2794(10) 0.8093(4) 0.3546(6) 0.093(7) Uani 0.644(12) 1 d DG U P A 1
C66 C -0.1736(9) 0.8008(4) 0.3792(5) 0.090(8) Uani 0.644(12) 1 d G U P A 1
H66 H -0.1286 0.8290 0.3882 0.108 Uiso 0.644(12) 1 calc R U P A 1
C61A C -0.1318(5) 0.7343(5) 0.3908(4) 0.039(9) Uani 0.356(12) 1 d G U P A 2
C62A C -0.1841(7) 0.7816(4) 0.3795(4) 0.027(6) Uani 0.356(12) 1 d DG U P A 2
C63A C -0.2912(7) 0.7823(4) 0.3536(4) 0.043(8) Uani 0.356(12) 1 d DG U P A 2
C64A C -0.3460(5) 0.7358(6) 0.3389(4) 0.048(8) Uani 0.356(12) 1 d DG U P A 2
C65A C -0.2937(10) 0.6886(4) 0.3502(6) 0.078(12) Uani 0.356(12) 1 d DG U P A 2
C66A C -0.1867(10) 0.6878(4) 0.3762(6) 0.066(12) Uani 0.356(12) 1 d G U P A 2
H66A H -0.1517 0.6562 0.3837 0.079 Uiso 0.356(12) 1 calc R U P A 2
F21 F -0.1674(9) 0.6559(5) 0.3880(7) 0.122(5) Uani 0.644(12) 1 d D U P A 1
F22 F -0.3779(11) 0.6795(7) 0.3325(10) 0.147(7) Uani 0.644(12) 1 d D U P A 1
F23 F -0.4485(8) 0.7773(8) 0.3148(8) 0.128(6) Uani 0.644(12) 1 d D U P A 1
F24 F -0.3148(11) 0.8574(6) 0.3438(9) 0.134(6) Uani 0.644(12) 1 d D U P A 1
F21A F -0.1344(17) 0.8306(7) 0.3922(14) 0.133(10) Uani 0.356(12) 1 d D U P A 2
F22A F -0.3539(19) 0.8246(9) 0.3380(17) 0.116(9) Uani 0.356(12) 1 d D U P A 2
F23A F -0.4511(12) 0.7343(11) 0.3167(13) 0.094(7) Uani 0.356(12) 1 d D U P A 2
F24A F -0.3465(17) 0.6444(8) 0.3332(14) 0.095(8) Uani 0.356(12) 1 d D U P A 2
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'
F F 0.0171 0.0103 '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
O2 Tb1 O10 77.91(19) 4_576 4_576
O2 Tb1 O8 78.9(2) 4_576 .
O10 Tb1 O8 82.0(2) 4_576 .
O2 Tb1 O12 148.2(2) 4_576 .
O10 Tb1 O12 80.8(2) 4_576 .
O8 Tb1 O12 74.9(2) . .
O2 Tb1 O4 136.3(2) 4_576 .
O10 Tb1 O4 139.5(2) 4_576 .
O8 Tb1 O4 119.59(19) . .
O12 Tb1 O4 73.7(2) . .
O2 Tb1 O6 73.69(18) 4_576 .
O10 Tb1 O6 149.2(2) 4_576 .
O8 Tb1 O6 81.2(2) . .
O12 Tb1 O6 118.96(19) . .
O4 Tb1 O6 71.2(2) . .
O2 Tb1 N2 74.8(2) 4_576 .
O10 Tb1 N2 106.1(2) 4_576 .
O8 Tb1 N2 150.0(2) . .
O12 Tb1 N2 134.4(2) . .
O4 Tb1 N2 73.0(2) . .
O6 Tb1 N2 77.7(2) . .
O2 Tb1 N1 117.6(2) 4_576 .
O10 Tb1 N1 72.4(2) 4_576 .
O8 Tb1 N1 144.6(2) . .
O12 Tb1 N1 77.2(2) . .
O4 Tb1 N1 71.6(2) . .
O6 Tb1 N1 132.1(2) . .
N2 Tb1 N1 63.3(2) . .
O9 Tb2 O1 76.3(2) . .
O9 Tb2 O5 143.6(2) . .
O1 Tb2 O5 74.02(19) . .
O9 Tb2 O3 80.4(2) . .
O1 Tb2 O3 82.9(2) . .
O5 Tb2 O3 75.5(2) . .
O9 Tb2 O11 78.5(2) . .
O1 Tb2 O11 149.1(2) . .
O5 Tb2 O11 120.07(19) . .
O3 Tb2 O11 75.5(2) . .
O9 Tb2 O7 139.2(2) . .
O1 Tb2 O7 137.5(2) . .
O5 Tb2 O7 77.1(2) . .
O3 Tb2 O7 119.0(2) . .
O11 Tb2 O7 73.2(2) . .
O9 Tb2 N3 73.8(2) . .
O1 Tb2 N3 111.1(2) . .
O5 Tb2 N3 137.2(2) . .
O3 Tb2 N3 146.1(2) . .
O11 Tb2 N3 78.2(2) . .
O7 Tb2 N3 72.0(2) . .
O9 Tb2 N4 114.3(2) . .
O1 Tb2 N4 75.7(2) . .
O5 Tb2 N4 77.9(2) . .
O3 Tb2 N4 149.5(2) . .
O11 Tb2 N4 131.9(2) . .
O7 Tb2 N4 68.2(2) . .
N3 Tb2 N4 63.6(2) . .
N1 C1 C2 123.5(10) . .
N1 C1 H1 118.2 . .
C2 C1 H1 118.2 . .
C3 C2 C1 118.0(11) . .
C3 C2 H2 121.0 . .
C1 C2 H2 121.0 . .
C2 C3 C4 122.0(11) . .
C2 C3 H3 119.0 . .
C4 C3 H3 119.0 . .
C3 C4 C5 126.6(11) . .
C3 C4 C12 116.5(11) . .
C5 C4 C12 116.9(11) . .
C6 C5 C4 123.3(12) . .
C6 C5 H5 118.3 . .
C4 C5 H5 118.3 . .
C5 C6 C7 121.7(12) . .
C5 C6 H6 119.1 . .
C7 C6 H6 119.1 . .
C6 C7 C8 125.9(12) . .
C6 C7 C11 118.9(11) . .
C8 C7 C11 115.1(11) . .
C9 C8 C7 122.7(12) . .
C9 C8 H8 118.6 . .
C7 C8 H8 118.6 . .
C8 C9 C10 118.2(12) . .
C8 C9 H9 120.9 . .
C10 C9 H9 120.9 . .
N2 C10 C9 122.6(10) . .
N2 C10 H10 118.7 . .
C9 C10 H10 118.7 . .
N2 C11 C12 118.1(9) . .
N2 C11 C7 122.4(10) . .
C12 C11 C7 119.5(10) . .
N1 C12 C11 118.1(9) . .
N1 C12 C4 122.3(10) . .
C11 C12 C4 119.6(10) . .
N3 C13 C14 124.1(11) . .
N3 C13 H13 117.9 . .
C14 C13 H13 117.9 . .
C15 C14 C13 118.3(11) . .
C15 C14 H14 120.8 . .
C13 C14 H14 120.8 . .
C14 C15 C16 120.9(11) . .
C14 C15 H15 119.6 . .
C16 C15 H15 119.6 . .
C15 C16 C24 116.9(10) . .
C15 C16 C17 123.4(11) . .
C24 C16 C17 119.6(10) . .
C18 C17 C16 119.6(11) . .
C18 C17 H17 120.2 . .
C16 C17 H17 120.2 . .
C17 C18 C19 122.3(11) . .
C17 C18 H18 118.9 . .
C19 C18 H18 118.9 . .
C20 C19 C23 118.4(10) . .
C20 C19 C18 122.5(11) . .
C23 C19 C18 119.1(10) . .
C21 C20 C19 119.1(11) . .
C21 C20 H57 120.4 . .
C19 C20 H57 120.4 . .
C20 C21 C22 119.0(11) . .
C20 C21 H21 120.5 . .
C22 C21 H21 120.5 . .
N4 C22 C21 123.4(10) . .
N4 C22 H22 118.3 . .
C21 C22 H22 118.3 . .
N4 C23 C24 118.8(9) . .
N4 C23 C19 121.8(9) . .
C24 C23 C19 119.3(9) . .
N3 C24 C23 117.9(8) . .
N3 C24 C16 122.2(9) . .
C23 C24 C16 119.9(9) . .
O2 C25 O1 124.8(8) . .
O2 C25 C26 118.2(7) . .
O1 C25 C26 117.0(7) . .
O3 C32 O4 126.7(8) . .
O3 C32 C33 119.7(8) . .
O4 C32 C33 113.6(8) . .
C34 C33 C38 118.3(10) . .
C34 C33 C32 122.7(10) . .
C38 C33 C32 119.0(9) . .
F5 C34 C33 123.9(11) . .
F5 C34 C35 113.5(12) . .
C33 C34 C35 122.5(12) . .
C36 C35 F6 123.9(14) . .
C36 C35 C34 115.6(13) . .
F6 C35 C34 120.5(14) . .
C35 C36 C37 125.3(15) . .
C35 C36 F7 117.1(15) . .
C37 C36 F7 117.6(16) . .
C36 C37 F8 123.9(16) . .
C36 C37 C38 121.7(15) . .
F8 C37 C38 114.4(15) . .
C37 C38 C33 116.5(12) . .
C37 C38 H38 121.7 . .
C33 C38 H38 121.7 . .
O5 C39 O6 126.6(8) . .
O5 C39 C40 115.8(7) . .
O6 C39 C40 117.6(7) . .
O8 C46 O7 126.5(8) . .
O8 C46 C47 117.9(7) . .
O7 C46 C47 115.6(7) . .
O9 C53 O10 126.2(8) . .
O9 C53 C54 115.7(7) . .
O10 C53 C54 118.2(8) . .
O11 C60 O12 127.9(8) . .
O11 C60 C61A 121.9(9) . .
O12 C60 C61A 109.3(8) . .
O11 C60 C61 113.2(8) . .
O12 C60 C61 118.8(8) . .
C1 N1 C12 117.7(8) . .
C1 N1 Tb1 123.3(7) . .
C12 N1 Tb1 117.8(6) . .
C10 N2 C11 119.0(8) . .
C10 N2 Tb1 120.5(6) . .
C11 N2 Tb1 118.7(6) . .
C13 N3 C24 117.5(8) . .
C13 N3 Tb2 122.8(7) . .
C24 N3 Tb2 118.3(6) . .
C22 N4 C23 118.3(8) . .
C22 N4 Tb2 122.0(6) . .
C23 N4 Tb2 118.1(6) . .
C25 O1 Tb2 139.0(5) . .
C25 O2 Tb1 164.4(6) . 4_575
C32 O3 Tb2 140.0(6) . .
C32 O4 Tb1 141.9(6) . .
C39 O5 Tb2 144.6(6) . .
C39 O6 Tb1 142.1(6) . .
C46 O7 Tb2 138.0(6) . .
C46 O8 Tb1 145.1(6) . .
C53 O9 Tb2 164.3(6) . .
C53 O10 Tb1 144.3(5) . 4_575
C60 O11 Tb2 142.3(6) . .
C60 O12 Tb1 138.1(6) . .
C41 C40 C45 120.0 . .
C41 C40 C39 117.0(5) . .
C45 C40 C39 122.9(5) . .
C42 C41 C40 120.0 . .
C42 C41 H41 120.0 . .
C40 C41 H41 120.0 . .
F9 C42 C41 122.9(6) . .
F9 C42 C43 117.1(6) . .
C41 C42 C43 120.0 . .
F10 C43 C44 119.1(7) . .
F10 C43 C42 120.9(7) . .
C44 C43 C42 120.0 . .
F11 C44 C45 121.5(6) . .
F11 C44 C43 118.5(6) . .
C45 C44 C43 120.0 . .
F12 C45 C44 116.1(6) . .
F12 C45 C40 123.9(6) . .
C44 C45 C40 120.0 . .
C48 C47 C52 120.0 . .
C48 C47 C46 118.9(6) . .
C52 C47 C46 121.0(6) . .
C47 C48 C49 120.0 . .
C47 C48 H48 120.0 . .
C49 C48 H48 120.0 . .
F13 C49 C48 121.3(8) . .
F13 C49 C50 118.7(8) . .
C48 C49 C50 120.0 . .
F14 C50 C49 122.1(8) . .
F14 C50 C51 117.8(8) . .
C49 C50 C51 120.0 . .
F15 C51 C52 120.1(8) . .
F15 C51 C50 119.9(8) . .
C52 C51 C50 120.0 . .
F16 C52 C51 115.4(7) . .
F16 C52 C47 124.6(7) . .
C51 C52 C47 120.0 . .
C55 C54 C59 120.0 . .
C55 C54 C53 117.7(6) . .
C59 C54 C53 122.3(6) . .
C54 C55 C56 120.0 . .
C54 C55 H55 120.0 . .
C56 C55 H55 120.0 . .
F17 C56 C57 116.8(7) . .
F17 C56 C55 123.2(7) . .
C57 C56 C55 120.0 . .
F18 C57 C56 122.5(8) . .
F18 C57 C58 117.5(8) . .
C56 C57 C58 120.0 . .
F19 C58 C57 121.5(7) . .
F19 C58 C59 118.5(7) . .
C57 C58 C59 120.0 . .
F20 C59 C58 115.9(6) . .
F20 C59 C54 124.1(6) . .
C58 C59 C54 120.0 . .
C27 C26 C31 120.0 . .
C27 C26 C25 117.0(5) . .
C31 C26 C25 123.0(5) . .
C28 C27 C26 120.0 . .
C28 C27 H27 120.0 . .
C26 C27 H27 120.0 . .
F1 C28 C29 118.5(5) . .
F1 C28 C27 121.5(5) . .
C29 C28 C27 120.0 . .
F2 C29 C30 119.2(5) . .
F2 C29 C28 120.8(5) . .
C30 C29 C28 120.0 . .
F3 C30 C29 120.1(5) . .
F3 C30 C31 119.9(5) . .
C29 C30 C31 120.0 . .
F4 C31 C30 116.2(5) . .
F4 C31 C26 123.8(5) . .
C30 C31 C26 120.0 . .
C62 C61 C66 120.0 . .
C62 C61 C60 118.8(9) . .
C66 C61 C60 121.2(9) . .
C63 C62 C61 120.0 . .
C63 C62 F21 117.7(10) . .
C61 C62 F21 122.2(10) . .
F22 C63 C62 124.4(12) . .
F22 C63 C64 115.4(12) . .
C62 C63 C64 120.0 . .
F23 C64 C65 117.7(13) . .
F23 C64 C63 122.2(13) . .
C65 C64 C63 120.0 . .
F24 C65 C66 119.3(13) . .
F24 C65 C64 120.7(13) . .
C66 C65 C64 120.0 . .
C65 C66 C61 120.0 . .
C65 C66 H66 120.0 . .
C61 C66 H66 120.0 . .
C62A C61A C66A 120.0 . .
C62A C61A C60 113.6(9) . .
C66A C61A C60 126.4(9) . .
C61A C62A C63A 120.0 . .
C61A C62A F21A 123.7(14) . .
C63A C62A F21A 116.3(14) . .
F22A C63A C62A 127.7(14) . .
F22A C63A C64A 112.3(14) . .
C62A C63A C64A 120.0 . .
F23A C64A C65A 117.5(15) . .
F23A C64A C63A 122.4(15) . .
C65A C64A C63A 120.0 . .
F24A C65A C64A 119.6(15) . .
F24A C65A C66A 120.3(15) . .
C64A C65A C66A 120.0 . .
C65A C66A C61A 120.0 . .
C65A C66A H66A 120.0 . .
C61A C66A H66A 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O2 2.320(6) 4_576
Tb1 O10 2.322(5) 4_576
Tb1 O8 2.328(6) .
Tb1 O12 2.345(6) .
Tb1 O4 2.374(6) .
Tb1 O6 2.395(5) .
Tb1 N2 2.560(7) .
Tb1 N1 2.586(7) .
Tb2 O9 2.303(6) .
Tb2 O1 2.331(5) .
Tb2 O5 2.345(6) .
Tb2 O3 2.352(6) .
Tb2 O11 2.356(6) .
Tb2 O7 2.386(5) .
Tb2 N3 2.572(7) .
Tb2 N4 2.574(7) .
C1 N1 1.328(11) .
C1 C2 1.399(13) .
C1 H1 0.9300 .
C2 C3 1.365(14) .
C2 H2 0.9300 .
C3 C4 1.370(14) .
C3 H3 0.9300 .
C4 C5 1.424(14) .
C4 C12 1.434(13) .
C5 C6 1.305(14) .
C5 H5 0.9300 .
C6 C7 1.404(15) .
C6 H6 0.9300 .
C7 C8 1.404(15) .
C7 C11 1.418(13) .
C8 C9 1.334(14) .
C8 H8 0.9300 .
C9 C10 1.399(13) .
C9 H9 0.9300 .
C10 N2 1.322(11) .
C10 H10 0.9300 .
C11 N2 1.354(11) .
C11 C12 1.418(12) .
C12 N1 1.364(11) .
C13 N3 1.312(11) .
C13 C14 1.396(13) .
C13 H13 0.9300 .
C14 C15 1.353(14) .
C14 H14 0.9300 .
C15 C16 1.390(13) .
C15 H15 0.9300 .
C16 C24 1.417(12) .
C16 C17 1.440(14) .
C17 C18 1.342(14) .
C17 H17 0.9300 .
C18 C19 1.427(13) .
C18 H18 0.9300 .
C19 C20 1.397(13) .
C19 C23 1.417(13) .
C20 C21 1.379(14) .
C20 H57 0.9300 .
C21 C22 1.392(13) .
C21 H21 0.9300 .
C22 N4 1.333(11) .
C22 H22 0.9300 .
C23 N4 1.356(11) .
C23 C24 1.416(12) .
C24 N3 1.369(11) .
C25 O2 1.237(9) .
C25 O1 1.267(9) .
C25 C26 1.519(9) .
C32 O3 1.231(9) .
C32 O4 1.260(9) .
C32 C33 1.517(12) .
C33 C34 1.368(14) .
C33 C38 1.398(14) .
C34 F5 1.314(12) .
C34 C35 1.415(15) .
C35 C36 1.297(17) .
C35 F6 1.321(13) .
C36 C37 1.305(17) .
C36 F7 1.419(14) .
C37 F8 1.354(15) .
C37 C38 1.397(17) .
C38 H38 0.9300 .
C39 O5 1.234(9) .
C39 O6 1.248(9) .
C39 C40 1.506(10) .
C46 O8 1.232(9) .
C46 O7 1.262(9) .
C46 C47 1.505(10) .
C53 O9 1.243(9) .
C53 O10 1.251(9) .
C53 C54 1.513(9) .
C60 O11 1.234(10) .
C60 O12 1.264(10) .
C60 C61A 1.470(11) .
C60 C61 1.530(10) .
F1 C28 1.320(6) .
F2 C29 1.335(7) .
F3 C30 1.319(7) .
F4 C31 1.318(6) .
F9 C42 1.313(7) .
F10 C43 1.350(7) .
F11 C44 1.337(8) .
F12 C45 1.299(7) .
F13 C49 1.335(9) .
F14 C50 1.349(8) .
F15 C51 1.332(8) .
F16 C52 1.284(9) .
F17 C56 1.293(8) .
F18 C57 1.339(8) .
F19 C58 1.354(9) .
F20 C59 1.307(8) .
O2 Tb1 2.320(6) 4_575
O10 Tb1 2.322(5) 4_575
C40 C41 1.3900 .
C40 C45 1.3900 .
C41 C42 1.3900 .
C41 H41 0.9300 .
C42 C43 1.3900 .
C43 C44 1.3900 .
C44 C45 1.3900 .
C47 C48 1.3900 .
C47 C52 1.3900 .
C48 C49 1.3900 .
C48 H48 0.9300 .
C49 C50 1.3900 .
C50 C51 1.3900 .
C51 C52 1.3900 .
C54 C55 1.3900 .
C54 C59 1.3900 .
C55 C56 1.3900 .
C55 H55 0.9300 .
C56 C57 1.3900 .
C57 C58 1.3900 .
C58 C59 1.3900 .
C26 C27 1.3900 .
C26 C31 1.3900 .
C27 C28 1.3900 .
C27 H27 0.9300 .
C28 C29 1.3900 .
C29 C30 1.3900 .
C30 C31 1.3900 .
C61 C62 1.3900 .
C61 C66 1.3900 .
C62 C63 1.3900 .
C62 F21 1.420(13) .
C63 F22 1.315(14) .
C63 C64 1.3900 .
C64 F23 1.346(11) .
C64 C65 1.3900 .
C65 F24 1.320(13) .
C65 C66 1.3900 .
C66 H66 0.9300 .
C61A C62A 1.3899 .
C61A C66A 1.3900 .
C62A C63A 1.3900 .
C62A F21A 1.414(17) .
C63A F22A 1.357(17) .
C63A C64A 1.3900 .
C64A F23A 1.365(15) .
C64A C65A 1.3900 .
C65A F24A 1.329(15) .
C65A C66A 1.3900 .
C66A H66A 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C10 H10 O2 0.93 2.60 3.107(12) 114.8 4_576
C21 H21 F19 0.93 2.58 3.339(13) 139.5 4_676
C22 H22 O5 0.93 2.58 3.073(11) 113.6 .
C41 H41 F4 0.93 2.32 3.231(8) 165.7 .
C27 H27 O6 0.93 2.24 3.148(7) 165.3 4_575
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_4
N1 C1 C2 C3 1.5(16) .
C1 C2 C3 C4 -0.2(16) .
C2 C3 C4 C5 -177.3(10) .
C2 C3 C4 C12 -0.5(15) .
C3 C4 C5 C6 178.6(11) .
C12 C4 C5 C6 1.9(16) .
C4 C5 C6 C7 0.4(19) .
C5 C6 C7 C8 176.7(11) .
C5 C6 C7 C11 -1.2(18) .
C6 C7 C8 C9 -177.4(11) .
C11 C7 C8 C9 0.6(17) .
C7 C8 C9 C10 -0.9(18) .
C8 C9 C10 N2 -0.2(16) .
C6 C7 C11 N2 179.0(9) .
C8 C7 C11 N2 0.9(14) .
C6 C7 C11 C12 -0.4(15) .
C8 C7 C11 C12 -178.5(9) .
N2 C11 C12 N1 2.8(12) .
C7 C11 C12 N1 -177.8(8) .
N2 C11 C12 C4 -176.7(8) .
C7 C11 C12 C4 2.7(13) .
C3 C4 C12 N1 0.1(13) .
C5 C4 C12 N1 177.1(8) .
C3 C4 C12 C11 179.5(8) .
C5 C4 C12 C11 -3.4(13) .
N3 C13 C14 C15 -3.1(16) .
C13 C14 C15 C16 2.2(16) .
C14 C15 C16 C24 -0.3(15) .
C14 C15 C16 C17 -178.3(10) .
C15 C16 C17 C18 179.1(10) .
C24 C16 C17 C18 1.0(15) .
C16 C17 C18 C19 1.8(17) .
C17 C18 C19 C20 178.0(10) .
C17 C18 C19 C23 -2.6(16) .
C23 C19 C20 C21 0.1(15) .
C18 C19 C20 C21 179.5(10) .
C19 C20 C21 C22 0.1(15) .
C20 C21 C22 N4 -1.3(15) .
C20 C19 C23 N4 1.0(14) .
C18 C19 C23 N4 -178.5(8) .
C20 C19 C23 C24 -180.0(8) .
C18 C19 C23 C24 0.5(14) .
N4 C23 C24 N3 1.2(12) .
C19 C23 C24 N3 -177.9(8) .
N4 C23 C24 C16 -178.8(8) .
C19 C23 C24 C16 2.2(13) .
C15 C16 C24 N3 -1.1(13) .
C17 C16 C24 N3 177.0(8) .
C15 C16 C24 C23 178.8(8) .
C17 C16 C24 C23 -3.0(13) .
O3 C32 C33 C34 -22.7(14) .
O4 C32 C33 C34 159.2(9) .
O3 C32 C33 C38 155.0(9) .
O4 C32 C33 C38 -23.1(12) .
C38 C33 C34 F5 179.5(11) .
C32 C33 C34 F5 -2.8(17) .
C38 C33 C34 C35 -4.3(17) .
C32 C33 C34 C35 173.4(10) .
F5 C34 C35 C36 179.9(12) .
C33 C34 C35 C36 3.3(19) .
F5 C34 C35 F6 -1.2(17) .
C33 C34 C35 F6 -177.7(11) .
F6 C35 C36 C37 179.2(14) .
C34 C35 C36 C37 -2(2) .
F6 C35 C36 F7 2(2) .
C34 C35 C36 F7 -179.4(11) .
C35 C36 C37 F8 178.5(14) .
F7 C36 C37 F8 -4(2) .
C35 C36 C37 C38 2(3) .
F7 C36 C37 C38 179.0(12) .
C36 C37 C38 C33 -2(2) .
F8 C37 C38 C33 -179.6(11) .
C34 C33 C38 C37 3.7(16) .
C32 C33 C38 C37 -174.1(10) .
C2 C1 N1 C12 -1.9(14) .
C2 C1 N1 Tb1 165.7(7) .
C11 C12 N1 C1 -178.4(8) .
C4 C12 N1 C1 1.1(12) .
C11 C12 N1 Tb1 13.3(10) .
C4 C12 N1 Tb1 -167.2(6) .
C9 C10 N2 C11 1.7(14) .
C9 C10 N2 Tb1 -162.8(7) .
C12 C11 N2 C10 177.4(8) .
C7 C11 N2 C10 -2.0(13) .
C12 C11 N2 Tb1 -17.8(10) .
C7 C11 N2 Tb1 162.8(7) .
C14 C13 N3 C24 1.8(14) .
C14 C13 N3 Tb2 168.1(7) .
C23 C24 N3 C13 -179.6(8) .
C16 C24 N3 C13 0.4(12) .
C23 C24 N3 Tb2 13.4(10) .
C16 C24 N3 Tb2 -166.6(6) .
C21 C22 N4 C23 2.3(13) .
C21 C22 N4 Tb2 -163.0(7) .
C24 C23 N4 C22 178.8(8) .
C19 C23 N4 C22 -2.1(13) .
C24 C23 N4 Tb2 -15.2(10) .
C19 C23 N4 Tb2 163.8(7) .
O2 C25 O1 Tb2 36.0(14) .
C26 C25 O1 Tb2 -146.1(6) .
O1 C25 O2 Tb1 -116.0(18) 4_575
C26 C25 O2 Tb1 66(2) 4_575
O4 C32 O3 Tb2 46.7(14) .
C33 C32 O3 Tb2 -131.2(8) .
O3 C32 O4 Tb1 -1.1(15) .
C33 C32 O4 Tb1 177.0(6) .
O6 C39 O5 Tb2 -4.0(16) .
C40 C39 O5 Tb2 176.5(6) .
O5 C39 O6 Tb1 35.5(15) .
C40 C39 O6 Tb1 -145.0(6) .
O8 C46 O7 Tb2 35.8(15) .
C47 C46 O7 Tb2 -144.8(6) .
O7 C46 O8 Tb1 13.9(17) .
C47 C46 O8 Tb1 -165.4(6) .
O10 C53 O9 Tb2 39(3) .
C54 C53 O9 Tb2 -140.7(17) .
O9 C53 O10 Tb1 48.0(15) 4_575
C54 C53 O10 Tb1 -132.2(8) 4_575
O12 C60 O11 Tb2 19.8(16) .
C61A C60 O11 Tb2 -148.6(8) .
C61 C60 O11 Tb2 -163.2(7) .
O11 C60 O12 Tb1 34.0(14) .
C61A C60 O12 Tb1 -156.4(6) .
C61 C60 O12 Tb1 -142.8(7) .
O5 C39 C40 C41 -38.2(9) .
O6 C39 C40 C41 142.3(6) .
O5 C39 C40 C45 146.2(6) .
O6 C39 C40 C45 -33.3(10) .
C45 C40 C41 C42 0.0 .
C39 C40 C41 C42 -175.7(6) .
C40 C41 C42 F9 -179.2(8) .
C40 C41 C42 C43 0.0 .
F9 C42 C43 F10 -2.1(9) .
C41 C42 C43 F10 178.7(8) .
F9 C42 C43 C44 179.3(8) .
C41 C42 C43 C44 0.0 .
F10 C43 C44 F11 3.5(9) .
C42 C43 C44 F11 -177.8(8) .
F10 C43 C44 C45 -178.7(8) .
C42 C43 C44 C45 0.0 .
F11 C44 C45 F12 -2.4(8) .
C43 C44 C45 F12 179.8(7) .
F11 C44 C45 C40 177.8(8) .
C43 C44 C45 C40 0.0 .
C41 C40 C45 F12 -179.8(8) .
C39 C40 C45 F12 -4.4(9) .
C41 C40 C45 C44 0.0 .
C39 C40 C45 C44 175.4(7) .
O8 C46 C47 C48 150.9(7) .
O7 C46 C47 C48 -28.5(10) .
O8 C46 C47 C52 -25.5(10) .
O7 C46 C47 C52 155.1(6) .
C52 C47 C48 C49 0.0 .
C46 C47 C48 C49 -176.4(7) .
C47 C48 C49 F13 179.5(9) .
C47 C48 C49 C50 0.0 .
F13 C49 C50 F14 -0.4(10) .
C48 C49 C50 F14 179.1(9) .
F13 C49 C50 C51 -179.5(9) .
C48 C49 C50 C51 0.0 .
F14 C50 C51 F15 0.6(10) .
C49 C50 C51 F15 179.8(9) .
F14 C50 C51 C52 -179.1(9) .
C49 C50 C51 C52 0.0 .
F15 C51 C52 F16 0.4(9) .
C50 C51 C52 F16 -179.9(9) .
F15 C51 C52 C47 -179.8(9) .
C50 C51 C52 C47 0.0 .
C48 C47 C52 F16 179.8(10) .
C46 C47 C52 F16 -3.8(10) .
C48 C47 C52 C51 0.0 .
C46 C47 C52 C51 176.4(7) .
O9 C53 C54 C55 -13.0(9) .
O10 C53 C54 C55 167.2(6) .
O9 C53 C54 C59 168.1(6) .
O10 C53 C54 C59 -11.7(10) .
C59 C54 C55 C56 0.0 .
C53 C54 C55 C56 -178.9(6) .
C54 C55 C56 F17 178.1(8) .
C54 C55 C56 C57 0.0 .
F17 C56 C57 F18 0.9(9) .
C55 C56 C57 F18 179.1(8) .
F17 C56 C57 C58 -178.3(7) .
C55 C56 C57 C58 0.0 .
F18 C57 C58 F19 3.4(8) .
C56 C57 C58 F19 -177.4(8) .
F18 C57 C58 C59 -179.2(8) .
C56 C57 C58 C59 0.0 .
F19 C58 C59 F20 -0.2(8) .
C57 C58 C59 F20 -177.7(7) .
F19 C58 C59 C54 177.5(8) .
C57 C58 C59 C54 0.0 .
C55 C54 C59 F20 177.5(8) .
C53 C54 C59 F20 -3.7(8) .
C55 C54 C59 C58 0.0 .
C53 C54 C59 C58 178.8(6) .
O2 C25 C26 C27 9.1(9) .
O1 C25 C26 C27 -168.9(6) .
O2 C25 C26 C31 -170.2(6) .
O1 C25 C26 C31 11.8(9) .
C31 C26 C27 C28 0.0 .
C25 C26 C27 C28 -179.4(6) .
C26 C27 C28 F1 -179.3(7) .
C26 C27 C28 C29 0.0 .
F1 C28 C29 F2 -1.0(8) .
C27 C28 C29 F2 179.7(8) .
F1 C28 C29 C30 179.3(7) .
C27 C28 C29 C30 0.0 .
F2 C29 C30 F3 1.2(8) .
C28 C29 C30 F3 -179.1(8) .
F2 C29 C30 C31 -179.7(7) .
C28 C29 C30 C31 0.0 .
F3 C30 C31 F4 0.9(7) .
C29 C30 C31 F4 -178.2(6) .
F3 C30 C31 C26 179.1(8) .
C29 C30 C31 C26 0.0 .
C27 C26 C31 F4 178.0(7) .
C25 C26 C31 F4 -2.7(8) .
C27 C26 C31 C30 0.0 .
C25 C26 C31 C30 179.3(6) .
O11 C60 C61 C62 130.9(7) .
O12 C60 C61 C62 -51.8(10) .
O11 C60 C61 C66 -50.9(9) .
O12 C60 C61 C66 126.3(8) .
C66 C61 C62 C63 0.0 .
C60 C61 C62 C63 178.2(7) .
C66 C61 C62 F21 -179.1(11) .
C60 C61 C62 F21 -0.9(11) .
C61 C62 C63 F22 174.4(13) .
F21 C62 C63 F22 -6.4(13) .
C61 C62 C63 C64 0.0 .
F21 C62 C63 C64 179.1(10) .
F22 C63 C64 F23 2.5(14) .
C62 C63 C64 F23 177.4(10) .
F22 C63 C64 C65 -174.9(12) .
C62 C63 C64 C65 0.0 .
F23 C64 C65 F24 1.8(13) .
C63 C64 C65 F24 179.3(12) .
F23 C64 C65 C66 -177.5(9) .
C63 C64 C65 C66 0.0 .
F24 C65 C66 C61 -179.3(12) .
C64 C65 C66 C61 0.0 .
C62 C61 C66 C65 0.0 .
C60 C61 C66 C65 -178.1(7) .
O11 C60 C61A C62A -60.8(10) .
O12 C60 C61A C62A 128.9(7) .
O11 C60 C61A C66A 120.2(9) .
O12 C60 C61A C66A -50.1(9) .
C66A C61A C62A C63A 0.0 .
C60 C61A C62A C63A -179.1(7) .
C66A C61A C62A F21A -179.3(16) .
C60 C61A C62A F21A 1.6(16) .
C61A C62A C63A F22A -178.3(19) .
F21A C62A C63A F22A 1(2) .
C61A C62A C63A C64A 0.0 .
F21A C62A C63A C64A 179.3(15) .
F22A C63A C64A F23A -5(2) .
C62A C63A C64A F23A 176.9(14) .
F22A C63A C64A C65A 178.5(16) .
C62A C63A C64A C65A 0.0 .
F23A C64A C65A F24A 5.8(19) .
C63A C64A C65A F24A -177.2(16) .
F23A C64A C65A C66A -177.0(13) .
C63A C64A C65A C66A 0.0 .
F24A C65A C66A C61A 177.2(16) .
C64A C65A C66A C61A 0.0 .
C62A C61A C66A C65A 0.0 .
C60 C61A C66A C65A 179.0(8) .
