#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/18/7221830.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_7221830
loop_
_publ_author_name
'Li, Sha-Sha'
'Ye, Zhen-Ni'
'Xu, Song-Song'
'Zhang, Yu-Jiao'
'Tao, An-Ran'
'Liu, Min'
'Zeng, Cheng-Hui'
'zhong, shengliang'
_publ_section_title
;
 Highly Luminescent Lanthanide CPs Based on Dinuclear Cluster: Crystal
 Structure and Sensitive Trp Sensor
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C5RA12149C
_journal_year                    2015
_chemical_formula_sum            'C24 H14 F9 O10 Tb'
_chemical_formula_weight         792.28
_chemical_name_systematic
; 
 ? 
;
_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
;
2015-06-22 deposited with the CCDC.
2015-08-19 downloaded from the CCDC.
;
_cell_angle_alpha                114.2400(10)
_cell_angle_beta                 96.3570(10)
_cell_angle_gamma                98.6170(10)
_cell_formula_units_Z            2
_cell_length_a                   8.8577(8)
_cell_length_b                   12.0523(11)
_cell_length_c                   13.6494(13)
_cell_measurement_reflns_used    9963
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.81
_cell_measurement_theta_min      2.37
_cell_volume                     1289.5(2)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0274
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10199
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    2.865
_exptl_absorpt_correction_T_max  0.7249
_exptl_absorpt_correction_T_min  0.6416
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    2.041
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             768
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent: '
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.039
_refine_diff_density_min         -1.311
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       0.0350(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         4525
_refine_ls_number_restraints     406
_refine_ls_restrained_S_all      1.153
_refine_ls_R_factor_all          0.0223
_refine_ls_R_factor_gt           0.0218
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0320P)²+1.5031P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0569
_refine_ls_wR_factor_ref         0.0572
_reflns_number_gt                4437
_reflns_number_total             4525
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5ra12149c2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7221830
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 0.226445(14) 0.066020(12) 0.031472(10) 0.01803(9) Uani 1 1 d D
F6 F 0.1344(3) 0.4902(3) -0.1908(3) 0.0584(7) Uani 1 1 d .
F5 F -0.1399(3) 0.5603(2) -0.1873(2) 0.0583(7) Uani 1 1 d .
F4 F -0.3335(3) 0.2657(3) -0.0652(3) 0.0580(7) Uani 1 1 d .
F3 F -0.0166(4) 0.3717(3) 0.57443(19) 0.0674(8) Uani 1 1 d .
F2 F -0.2741(3) 0.4368(3) 0.5202(2) 0.0669(8) Uani 1 1 d .
F8 F 0.6049(4) 0.1698(3) 0.61896(19) 0.0675(8) Uani 1 1 d .
F9 F 0.3907(4) 0.2325(3) 0.5120(2) 0.0606(7) Uani 1 1 d .
F7 F 0.7771(3) -0.0441(3) 0.29246(18) 0.0544(7) Uani 1 1 d .
F1 F -0.2321(2) 0.25409(19) 0.14925(16) 0.0345(5) Uani 1 1 d .
O1 O 0.1895(3) 0.1994(2) 0.21682(19) 0.0308(5) Uani 1 1 d .
O7 O 0.4558(3) 0.0686(2) 0.12661(19) 0.0293(5) Uani 1 1 d .
O4 O 0.0910(3) 0.1788(2) -0.0386(2) 0.0314(5) Uani 1 1 d .
O5 O -0.1640(3) 0.0895(2) -0.0900(2) 0.0307(5) Uani 1 1 d .
O9 O 0.8058(5) 0.0188(4) 0.5003(2) 0.0736(12) Uani 1 1 d .
O6 O -0.3711(4) 0.4623(3) -0.1187(3) 0.0611(9) Uani 1 1 d .
O3 O -0.3873(3) 0.3773(3) 0.2929(3) 0.0556(8) Uani 1 1 d .
C1 C 0.0442(4) 0.1742(3) 0.1955(3) 0.0231(6) Uani 1 1 d U
C2 C -0.0424(4) 0.2451(3) 0.2808(3) 0.0264(6) Uani 1 1 d U
C3 C -0.1760(4) 0.2810(3) 0.2536(3) 0.0281(6) Uani 1 1 d U
C4 C -0.2576(4) 0.3488(3) 0.3314(3) 0.0341(7) Uani 1 1 d U
C5 C -0.2003(5) 0.3760(4) 0.4394(3) 0.0401(8) Uani 1 1 d U
C6 C -0.0674(5) 0.3412(4) 0.4673(3) 0.0392(8) Uani 1 1 d U
C7 C 0.0148(4) 0.2774(3) 0.3907(3) 0.0342(7) Uani 1 1 d U
H7 H 0.1058 0.2563 0.4114 0.041 Uiso 1 1 calc R
C18 C 0.5684(4) 0.0572(3) 0.2857(3) 0.0249(6) Uani 1 1 d U
C23 C 0.4681(4) 0.1267(3) 0.3438(3) 0.0308(6) Uani 1 1 d U
H23 H 0.3903 0.1480 0.3076 0.037 Uiso 1 1 calc R
C22 C 0.4849(5) 0.1635(4) 0.4544(3) 0.0356(7) Uani 1 1 d U
C21 C 0.5976(5) 0.1317(4) 0.5100(3) 0.0391(7) Uani 1 1 d U
C20 C 0.6966(5) 0.0612(4) 0.4560(3) 0.0389(7) Uani 1 1 d U
C19 C 0.6785(4) 0.0247(3) 0.3426(3) 0.0317(7) Uani 1 1 d U
C9 C -0.0485(4) 0.1730(3) -0.0742(3) 0.0251(6) Uani 1 1 d U
C10 C -0.0777(4) 0.2775(3) -0.1024(3) 0.0256(6) Uani 1 1 d U
C11 C -0.2176(4) 0.3165(3) -0.1001(3) 0.0308(6) Uani 1 1 d U
C12 C -0.2419(4) 0.4124(3) -0.1278(3) 0.0349(7) Uani 1 1 d U
C13 C -0.1203(4) 0.4681(3) -0.1595(3) 0.0346(7) Uani 1 1 d U
C14 C 0.0190(4) 0.4317(3) -0.1608(3) 0.0328(7) Uani 1 1 d U
C15 C 0.0417(4) 0.3385(3) -0.1320(3) 0.0301(6) Uani 1 1 d U
H15 H 0.1376 0.3159 -0.1322 0.036 Uiso 1 1 calc R
C17 C 0.5584(4) 0.0297(3) 0.1668(3) 0.0220(6) Uani 1 1 d U
C16 C -0.5196(6) 0.3815(6) -0.1572(5) 0.0698(14) Uani 1 1 d U
H16B H -0.5210 0.3139 -0.2266 0.105 Uiso 1 1 calc R
H16A H -0.5968 0.4266 -0.1656 0.105 Uiso 1 1 calc R
H16C H -0.5418 0.3490 -0.1056 0.105 Uiso 1 1 calc R
C24 C 0.8813(7) 0.0867(6) 0.6111(4) 0.0764(16) Uani 1 1 d U
H24B H 0.9821 0.0680 0.6201 0.115 Uiso 1 1 calc R
H24A H 0.8204 0.0638 0.6565 0.115 Uiso 1 1 calc R
H24C H 0.8927 0.1743 0.6318 0.115 Uiso 1 1 calc R
C8 C -0.4570(9) 0.4662(7) 0.3561(5) 0.094(2) Uani 1 1 d U
H8B H -0.5364 0.4790 0.3104 0.141 Uiso 1 1 calc R
H8C H -0.3810 0.5426 0.3970 0.141 Uiso 1 1 calc R
H8A H -0.5029 0.4400 0.4057 0.141 Uiso 1 1 calc R
O2 O -0.0304(3) 0.0916(2) 0.10430(17) 0.0265(5) Uani 1 1 d .
O8 O 0.6559(3) -0.0234(2) 0.11750(19) 0.0307(5) Uani 1 1 d .
O1W O 0.3969(3) 0.2681(2) 0.0810(2) 0.0380(6) Uani 1 1 d D
H1WB H 0.481(3) 0.291(3) 0.126(3) 0.057 Uiso 1 1 d D
H1WA H 0.360(4) 0.331(2) 0.089(4) 0.057 Uiso 1 1 d 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'
F F 0.0171 0.0103 '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
O7 Tb1 O8 87.58(8) . 2_655
O7 Tb1 O2 134.15(8) . 2
O8 Tb1 O2 79.87(8) 2_655 2
O7 Tb1 O4 144.93(9) . .
O8 Tb1 O4 85.03(8) 2_655 .
O2 Tb1 O4 77.95(8) 2 .
O7 Tb1 O5 75.69(8) . 2
O8 Tb1 O5 119.00(9) 2_655 2
O2 Tb1 O5 72.64(8) 2 2
O4 Tb1 O5 136.89(8) . 2
O7 Tb1 O1W 73.33(9) . .
O8 Tb1 O1W 78.48(10) 2_655 .
O2 Tb1 O1W 143.80(9) 2 .
O4 Tb1 O1W 71.60(8) . .
O5 Tb1 O1W 143.55(9) 2 .
O7 Tb1 O1 82.11(8) . .
O8 Tb1 O1 153.78(9) 2_655 .
O2 Tb1 O1 124.07(8) 2 .
O4 Tb1 O1 89.67(9) . .
O5 Tb1 O1 81.71(9) 2 .
O1W Tb1 O1 75.49(9) . .
O7 Tb1 O2 126.13(8) . .
O8 Tb1 O2 146.13(8) 2_655 .
O2 Tb1 O2 73.80(8) 2 .
O4 Tb1 O2 69.08(8) . .
O5 Tb1 O2 72.85(8) 2 .
O1W Tb1 O2 111.52(8) . .
O1 Tb1 O2 51.13(7) . .
O7 Tb1 C1 105.12(9) . .
O8 Tb1 C1 161.78(9) 2_655 .
O2 Tb1 C1 99.41(8) 2 .
O4 Tb1 C1 77.07(9) . .
O5 Tb1 C1 77.46(9) 2 .
O1W Tb1 C1 92.49(9) . .
O1 Tb1 C1 25.43(9) . .
O2 Tb1 C1 25.79(8) . .
O7 Tb1 Tb1 143.14(6) . 2
O8 Tb1 Tb1 116.18(6) 2_655 2
O2 Tb1 Tb1 39.11(5) 2 2
O4 Tb1 Tb1 69.00(6) . 2
O5 Tb1 Tb1 68.25(6) 2 2
O1W Tb1 Tb1 136.00(6) . 2
O1 Tb1 Tb1 85.40(5) . 2
O2 Tb1 Tb1 34.69(5) . 2
C1 Tb1 Tb1 60.36(6) . 2
C1 O1 Tb1 96.51(19) . .
C17 O7 Tb1 159.3(2) . .
C9 O4 Tb1 136.4(2) . .
C9 O5 Tb1 137.2(2) . 2
C20 O9 C24 120.9(4) . .
C12 O6 C16 119.0(4) . .
C4 O3 C8 123.8(4) . .
O1 C1 O2 121.5(3) . .
O1 C1 C2 118.9(3) . .
O2 C1 C2 119.6(3) . .
O1 C1 Tb1 58.06(16) . .
O2 C1 Tb1 63.73(16) . .
C2 C1 Tb1 173.1(2) . .
C3 C2 C7 119.2(3) . .
C3 C2 C1 121.7(3) . .
C7 C2 C1 119.1(3) . .
F1 C3 C2 120.7(3) . .
F1 C3 C4 116.3(3) . .
C2 C3 C4 123.0(3) . .
O3 C4 C3 116.6(3) . .
O3 C4 C5 127.0(3) . .
C3 C4 C5 116.4(3) . .
F2 C5 C6 117.9(4) . .
F2 C5 C4 121.0(4) . .
C6 C5 C4 121.1(3) . .
F3 C6 C5 118.2(3) . .
F3 C6 C7 119.5(4) . .
C5 C6 C7 122.3(4) . .
C6 C7 C2 118.1(3) . .
C6 C7 H7 120.9 . .
C2 C7 H7 120.9 . .
C19 C18 C23 117.9(3) . .
C19 C18 C17 123.5(3) . .
C23 C18 C17 118.5(3) . .
C22 C23 C18 119.6(3) . .
C22 C23 H23 120.2 . .
C18 C23 H23 120.2 . .
F9 C22 C23 120.4(3) . .
F9 C22 C21 118.1(3) . .
C23 C22 C21 121.5(3) . .
F8 C21 C20 121.2(4) . .
F8 C21 C22 117.9(3) . .
C20 C21 C22 120.9(3) . .
O9 C20 C21 126.3(3) . .
O9 C20 C19 116.7(3) . .
C21 C20 C19 116.9(3) . .
F7 C19 C18 121.6(3) . .
F7 C19 C20 115.3(3) . .
C18 C19 C20 123.1(3) . .
O5 C9 O4 127.2(3) . .
O5 C9 C10 117.2(3) . .
O4 C9 C10 115.6(3) . .
C15 C10 C11 118.0(3) . .
C15 C10 C9 118.4(3) . .
C11 C10 C9 123.5(3) . .
F4 C11 C10 120.3(3) . .
F4 C11 C12 117.3(3) . .
C10 C11 C12 122.3(3) . .
O6 C12 C13 117.1(3) . .
O6 C12 C11 125.4(4) . .
C13 C12 C11 117.3(3) . .
F5 C13 C14 120.1(3) . .
F5 C13 C12 118.9(3) . .
C14 C13 C12 120.9(3) . .
F6 C14 C13 118.5(3) . .
F6 C14 C15 120.4(3) . .
C13 C14 C15 121.0(3) . .
C14 C15 C10 120.3(3) . .
C14 C15 H15 119.8 . .
C10 C15 H15 119.8 . .
O8 C17 O7 124.9(3) . .
O8 C17 C18 118.4(3) . .
O7 C17 C18 116.6(3) . .
O6 C16 H16B 109.5 . .
O6 C16 H16A 109.5 . .
H16B C16 H16A 109.5 . .
O6 C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
O9 C24 H24B 109.5 . .
O9 C24 H24A 109.5 . .
H24B C24 H24A 109.5 . .
O9 C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
O3 C8 H8B 109.5 . .
O3 C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O3 C8 H8A 109.5 . .
H8B C8 H8A 109.5 . .
H8C C8 H8A 109.5 . .
C1 O2 Tb1 162.0(2) . 2
C1 O2 Tb1 90.48(18) . .
Tb1 O2 Tb1 106.20(8) 2 .
C17 O8 Tb1 145.8(2) . 2_655
Tb1 O1W H1WB 120(2) . .
Tb1 O1W H1WA 121(3) . .
H1WB O1W H1WA 109(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O7 2.276(2) .
Tb1 O8 2.293(2) 2_655
Tb1 O2 2.338(2) 2
Tb1 O4 2.347(2) .
Tb1 O5 2.339(2) 2
Tb1 O1W 2.447(3) .
Tb1 O1 2.469(2) .
Tb1 O2 2.592(2) .
Tb1 C1 2.890(3) .
Tb1 Tb1 3.9452(4) 2
F6 C14 1.350(4) .
F5 C13 1.340(4) .
F4 C11 1.347(4) .
F3 C6 1.356(5) .
F2 C5 1.349(4) .
F8 C21 1.355(4) .
F9 C22 1.350(4) .
F7 C19 1.343(4) .
F1 C3 1.341(4) .
O1 C1 1.249(4) .
O7 C17 1.255(4) .
O4 C9 1.257(4) .
O5 C9 1.253(4) .
O5 Tb1 2.339(2) 2
O9 C20 1.354(5) .
O9 C24 1.414(6) .
O6 C12 1.365(4) .
O6 C16 1.413(6) .
O3 C4 1.359(5) .
O3 C8 1.353(6) .
C1 O2 1.257(4) .
C1 C2 1.501(4) .
C2 C3 1.384(5) .
C2 C7 1.396(5) .
C3 C4 1.397(5) .
C4 C5 1.388(6) .
C5 C6 1.373(6) .
C6 C7 1.376(5) .
C7 H7 0.9300 .
C18 C19 1.379(5) .
C18 C23 1.399(5) .
C18 C17 1.506(4) .
C23 C22 1.370(5) .
C23 H23 0.9300 .
C22 C21 1.380(6) .
C21 C20 1.374(6) .
C20 C19 1.407(5) .
C9 C10 1.509(4) .
C10 C15 1.388(5) .
C10 C11 1.389(5) .
C11 C12 1.393(5) .
C12 C13 1.387(5) .
C13 C14 1.370(5) .
C14 C15 1.367(5) .
C15 H15 0.9300 .
C17 O8 1.244(4) .
C16 H16B 0.9600 .
C16 H16A 0.9600 .
C16 H16C 0.9600 .
C24 H24B 0.9600 .
C24 H24A 0.9600 .
C24 H24C 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C8 H8A 0.9600 .
O2 Tb1 2.338(2) 2
O8 Tb1 2.293(2) 2_655
O1W H1WB 0.84(2) .
O1W H1WA 0.84(2) .
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
O7 Tb1 O1 C1 -154.8(2) . .
O8 Tb1 O1 C1 137.4(2) 2_655 .
O2 Tb1 O1 C1 -15.8(2) 2 .
O4 Tb1 O1 C1 59.4(2) . .
O5 Tb1 O1 C1 -78.2(2) 2 .
O1W Tb1 O1 C1 130.5(2) . .
O2 Tb1 O1 C1 -3.59(18) . .
Tb1 Tb1 O1 C1 -9.55(19) 2 .
O8 Tb1 O7 C17 -91.8(6) 2_655 .
O2 Tb1 O7 C17 -18.5(6) 2 .
O4 Tb1 O7 C17 -169.6(5) . .
O5 Tb1 O7 C17 28.9(6) 2 .
O1W Tb1 O7 C17 -170.5(6) . .
O1 Tb1 O7 C17 112.4(6) . .
O2 Tb1 O7 C17 84.7(6) . .
C1 Tb1 O7 C17 101.4(6) . .
Tb1 Tb1 O7 C17 41.0(6) 2 .
O7 Tb1 O4 C9 -163.9(3) . .
O8 Tb1 O4 C9 117.5(3) 2_655 .
O2 Tb1 O4 C9 36.8(3) 2 .
O5 Tb1 O4 C9 -10.7(4) 2 .
O1W Tb1 O4 C9 -163.0(3) . .
O1 Tb1 O4 C9 -88.2(3) . .
O2 Tb1 O4 C9 -40.2(3) . .
C1 Tb1 O4 C9 -65.9(3) . .
Tb1 Tb1 O4 C9 -3.0(3) 2 .
Tb1 O1 C1 O2 6.8(3) . .
Tb1 O1 C1 C2 -172.8(2) . .
O7 Tb1 C1 O1 25.9(2) . .
O8 Tb1 C1 O1 -107.0(3) 2_655 .
O2 Tb1 C1 O1 166.82(19) 2 .
O4 Tb1 C1 O1 -118.0(2) . .
O5 Tb1 C1 O1 97.1(2) 2 .
O1W Tb1 C1 O1 -47.5(2) . .
O2 Tb1 C1 O1 173.6(3) . .
Tb1 Tb1 C1 O1 169.0(2) 2 .
O7 Tb1 C1 O2 -147.65(17) . .
O8 Tb1 C1 O2 79.4(3) 2_655 .
O2 Tb1 C1 O2 -6.7(2) 2 .
O4 Tb1 C1 O2 68.47(18) . .
O5 Tb1 C1 O2 -76.46(18) 2 .
O1W Tb1 C1 O2 138.95(18) . .
O1 Tb1 C1 O2 -173.6(3) . .
Tb1 Tb1 C1 O2 -4.53(15) 2 .
O7 Tb1 C1 C2 92.1(19) . .
O8 Tb1 C1 C2 -41(2) 2_655 .
O2 Tb1 C1 C2 -127.0(19) 2 .
O4 Tb1 C1 C2 -51.8(19) . .
O5 Tb1 C1 C2 163.3(19) 2 .
O1W Tb1 C1 C2 18.7(19) . .
O1 Tb1 C1 C2 66.2(19) . .
O2 Tb1 C1 C2 -120(2) . .
Tb1 Tb1 C1 C2 -124.8(19) 2 .
O1 C1 C2 C3 141.3(3) . .
O2 C1 C2 C3 -38.3(5) . .
Tb1 C1 C2 C3 79(2) . .
O1 C1 C2 C7 -37.7(5) . .
O2 C1 C2 C7 142.7(3) . .
Tb1 C1 C2 C7 -100.2(19) . .
C7 C2 C3 F1 178.5(3) . .
C1 C2 C3 F1 -0.5(5) . .
C7 C2 C3 C4 0.0(5) . .
C1 C2 C3 C4 -179.0(3) . .
C8 O3 C4 C3 -163.1(6) . .
C8 O3 C4 C5 19.3(8) . .
F1 C3 C4 O3 1.7(5) . .
C2 C3 C4 O3 -179.8(3) . .
F1 C3 C4 C5 179.6(3) . .
C2 C3 C4 C5 -1.9(5) . .
O3 C4 C5 F2 0.2(6) . .
C3 C4 C5 F2 -177.4(3) . .
O3 C4 C5 C6 179.8(4) . .
C3 C4 C5 C6 2.1(6) . .
F2 C5 C6 F3 -1.1(6) . .
C4 C5 C6 F3 179.4(4) . .
F2 C5 C6 C7 179.1(4) . .
C4 C5 C6 C7 -0.5(6) . .
F3 C6 C7 C2 178.7(3) . .
C5 C6 C7 C2 -1.4(6) . .
C3 C2 C7 C6 1.6(5) . .
C1 C2 C7 C6 -179.3(3) . .
C19 C18 C23 C22 2.1(5) . .
C17 C18 C23 C22 -173.6(3) . .
C18 C23 C22 F9 178.8(3) . .
C18 C23 C22 C21 -1.1(6) . .
F9 C22 C21 F8 1.2(6) . .
C23 C22 C21 F8 -178.9(4) . .
F9 C22 C21 C20 179.7(4) . .
C23 C22 C21 C20 -0.4(6) . .
C24 O9 C20 C21 -30.7(8) . .
C24 O9 C20 C19 152.3(5) . .
F8 C21 C20 O9 2.1(7) . .
C22 C21 C20 O9 -176.3(4) . .
F8 C21 C20 C19 179.2(4) . .
C22 C21 C20 C19 0.7(6) . .
C23 C18 C19 F7 178.6(3) . .
C17 C18 C19 F7 -5.9(6) . .
C23 C18 C19 C20 -1.8(6) . .
C17 C18 C19 C20 173.7(3) . .
O9 C20 C19 F7 -2.7(6) . .
C21 C20 C19 F7 -180.0(4) . .
O9 C20 C19 C18 177.7(4) . .
C21 C20 C19 C18 0.4(6) . .
Tb1 O5 C9 O4 19.9(6) 2 .
Tb1 O5 C9 C10 -161.3(2) 2 .
Tb1 O4 C9 O5 -6.0(6) . .
Tb1 O4 C9 C10 175.1(2) . .
O5 C9 C10 C15 -152.4(3) . .
O4 C9 C10 C15 26.5(5) . .
O5 C9 C10 C11 27.7(5) . .
O4 C9 C10 C11 -153.3(3) . .
C15 C10 C11 F4 -175.7(3) . .
C9 C10 C11 F4 4.1(5) . .
C15 C10 C11 C12 0.9(5) . .
C9 C10 C11 C12 -179.2(3) . .
C16 O6 C12 C13 138.9(4) . .
C16 O6 C12 C11 -46.2(6) . .
F4 C11 C12 O6 2.6(6) . .
C10 C11 C12 O6 -174.2(4) . .
F4 C11 C12 C13 177.5(3) . .
C10 C11 C12 C13 0.7(6) . .
O6 C12 C13 F5 -5.0(6) . .
C11 C12 C13 F5 179.7(3) . .
O6 C12 C13 C14 173.8(4) . .
C11 C12 C13 C14 -1.5(6) . .
F5 C13 C14 F6 -0.2(6) . .
C12 C13 C14 F6 -179.0(3) . .
F5 C13 C14 C15 179.5(3) . .
C12 C13 C14 C15 0.7(6) . .
F6 C14 C15 C10 -179.3(3) . .
C13 C14 C15 C10 1.0(6) . .
C11 C10 C15 C14 -1.8(5) . .
C9 C10 C15 C14 178.4(3) . .
Tb1 O7 C17 O8 84.0(7) . .
Tb1 O7 C17 C18 -100.0(6) . .
C19 C18 C17 O8 -1.1(5) . .
C23 C18 C17 O8 174.3(3) . .
C19 C18 C17 O7 -177.5(3) . .
C23 C18 C17 O7 -2.1(5) . .
O1 C1 O2 Tb1 151.6(5) . 2
C2 C1 O2 Tb1 -28.8(8) . 2
Tb1 C1 O2 Tb1 158.0(7) . 2
O1 C1 O2 Tb1 -6.4(3) . .
C2 C1 O2 Tb1 173.1(3) . .
O7 Tb1 O2 C1 39.8(2) . .
O8 Tb1 O2 C1 -146.52(19) 2_655 .
O2 Tb1 O2 C1 173.1(2) 2 .
O4 Tb1 O2 C1 -103.92(19) . .
O5 Tb1 O2 C1 96.69(19) 2 .
O1W Tb1 O2 C1 -44.9(2) . .
O1 Tb1 O2 C1 3.55(17) . .
Tb1 Tb1 O2 C1 173.1(2) 2 .
O7 Tb1 O2 Tb1 -133.31(9) . 2
O8 Tb1 O2 Tb1 40.41(18) 2_655 2
O2 Tb1 O2 Tb1 0.0 2 2
O4 Tb1 O2 Tb1 83.01(10) . 2
O5 Tb1 O2 Tb1 -76.38(10) 2 2
O1W Tb1 O2 Tb1 142.07(9) . 2
O1 Tb1 O2 Tb1 -169.52(14) . 2
C1 Tb1 O2 Tb1 -173.1(2) . 2
O7 C17 O8 Tb1 15.4(6) . 2_655
C18 C17 O8 Tb1 -160.6(3) . 2_655
