#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:37:57 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180047 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/41/7034129.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_7034129
loop_
_publ_author_name
'Sobieray, Miriam'
'Gode, Jens'
'Seidel, Christiane'
'Poß, Marieke'
'Feldmann, Claus'
'Ruschewitz, Uwe'
_publ_section_title
;
 Bright luminescence in lanthanide coordination polymers with
 tetrafluoroterephthalate as a bridging ligand.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6249
_journal_page_last               6259
_journal_paper_doi               10.1039/c4dt03733b
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C17 H21 F4 N4 O10 Tb'
_chemical_formula_weight         676.30
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2013-08-28 deposited with the CCDC.
2015-02-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 111.047(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.157(3)
_cell_length_b                   11.3680(13)
_cell_length_c                   20.566(3)
_cell_measurement_temperature    293(2)
_cell_volume                     4834.6(12)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.727
_diffrn_measured_fraction_theta_max 0.727
_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  0.0883
_diffrn_reflns_av_sigmaI/netI    0.0721
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            11978
_diffrn_reflns_theta_full        27.34
_diffrn_reflns_theta_max         27.34
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    3.015
_exptl_absorpt_correction_T_max  0.3693
_exptl_absorpt_correction_T_min  0.1277
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'X-Red, X-Shape'
_exptl_crystal_density_diffrn    1.858
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2656
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.293
_refine_diff_density_min         -0.284
_refine_diff_density_rms         0.023
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.924
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         3977
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.924
_refine_ls_R_factor_all          0.0661
_refine_ls_R_factor_gt           0.0440
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0710P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1033
_refine_ls_wR_factor_ref         0.1139
_reflns_number_gt                2827
_reflns_number_total             3977
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c4dt03733b2.cif
_cod_data_source_block           cs848
_cod_depositor_comments
'Adding full bibliography for 7034127--7034136.cif.'
_cod_original_cell_volume        4834.6(11)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7034129
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.403706(14) 0.46488(3) 0.697996(15) 0.0497(5) Uani 1 1 d . . .
F3 F 0.4225(3) 0.0813(5) 0.8045(4) 0.0920(19) Uani 1 1 d . . .
F4 F 0.4217(3) -0.1514(5) 0.8028(4) 0.099(2) Uani 1 1 d . . .
F9 F 0.5006(3) 0.6900(5) 0.5794(3) 0.0899(16) Uani 1 1 d . . .
F10 F 0.5417(3) 0.2881(5) 0.5605(3) 0.0886(16) Uani 1 1 d . . .
O1 O 0.4453(2) 0.2725(4) 0.7277(3) 0.0619(13) Uani 1 1 d . . .
O6 O 0.4461(3) -0.3424(4) 0.7233(3) 0.0658(13) Uani 1 1 d . . .
O7A O 0.5038(3) 0.4662(5) 0.6804(3) 0.0579(12) Uani 1 1 d . . .
O7B O 0.6029(3) 0.4779(7) 0.6848(3) 0.0792(18) Uani 1 1 d . . .
O11 O 0.3116(3) 0.5845(6) 0.6733(3) 0.0736(16) Uani 1 1 d . . .
O14 O 0.3139(3) 0.3425(6) 0.6898(4) 0.0826(19) Uani 1 1 d . . .
O17 O 0.3482(9) -0.0824(19) 0.5944(10) 0.214(7) Uani 1 1 d . . .
O21 O 0.3774(5) 0.3549(6) 0.5883(3) 0.100(2) Uani 1 1 d . . .
O22 O 0.3547(4) 0.4293(9) 0.4854(3) 0.110(3) Uani 1 1 d . . .
O23 O 0.3743(4) 0.5392(7) 0.5761(3) 0.0875(19) Uani 1 1 d . . .
N11 N 0.2278(4) 0.6999(7) 0.6101(4) 0.082(2) Uani 1 1 d . . .
N14 N 0.2531(4) 0.1811(7) 0.6819(4) 0.0719(19) Uani 1 1 d . . .
N17 N 0.3706(7) 0.0536(14) 0.5268(9) 0.137(4) Uani 1 1 d . . .
N20 N 0.3678(4) 0.4404(8) 0.5482(3) 0.074(2) Uani 1 1 d . . .
C1 C 0.5000 0.2246(9) 0.7500 0.054(2) Uani 1 2 d S . .
C2 C 0.5000 0.0898(9) 0.7500 0.055(2) Uani 1 2 d S . .
C3 C 0.4612(4) 0.0251(7) 0.7766(4) 0.0624(17) Uani 1 1 d . . .
C4 C 0.4610(4) -0.0970(7) 0.7760(5) 0.0669(19) Uani 1 1 d . . .
C5 C 0.5000 -0.1586(9) 0.7500 0.061(2) Uani 1 2 d S . .
C6 C 0.5000 -0.2942(8) 0.7500 0.057(2) Uani 1 2 d S . .
C7 C 0.5449(4) 0.4775(7) 0.6517(4) 0.0592(17) Uani 1 1 d . . .
C8 C 0.5214(4) 0.4890(7) 0.5728(4) 0.0590(17) Uani 1 1 d . . .
C9 C 0.5002(4) 0.5946(8) 0.5410(4) 0.0639(17) Uani 1 1 d . . .
C10 C 0.5206(4) 0.3937(8) 0.5309(4) 0.0634(17) Uani 1 1 d . . .
C11 C 0.2895(5) 0.6674(9) 0.6347(6) 0.080(2) Uani 1 1 d . . .
H11 H 0.3182 0.7119 0.6212 0.16(4) Uiso 1 1 calc R . .
C12 C 0.1804(6) 0.6345(12) 0.6299(7) 0.110(4) Uani 1 1 d . . .
H12A H 0.2024 0.5851 0.6691 0.22(2) Uiso 1 1 calc R . .
H12B H 0.1547 0.5867 0.5914 0.22(2) Uiso 1 1 calc R . .
H12C H 0.1530 0.6886 0.6421 0.22(2) Uiso 1 1 calc R . .
C13 C 0.2043(6) 0.7956(11) 0.5627(7) 0.112(4) Uani 1 1 d . . .
H13A H 0.1799 0.8482 0.5803 0.22(2) Uiso 1 1 calc R A 1
H13B H 0.1771 0.7659 0.5181 0.22(2) Uiso 1 1 calc R A 1
H13C H 0.2402 0.8371 0.5578 0.22(2) Uiso 1 1 calc R A 1
C14 C 0.3065(5) 0.2362(9) 0.6851(5) 0.077(2) Uani 1 1 d . . .
H14 H 0.3409 0.1908 0.6838 0.16(4) Uiso 1 1 calc R . .
C15 C 0.2492(6) 0.0540(9) 0.6785(6) 0.090(3) Uani 1 1 d . . .
H15A H 0.2920 0.0214 0.6969 0.22(2) Uiso 1 1 calc R . .
H15B H 0.2285 0.0298 0.6309 0.22(2) Uiso 1 1 calc R . .
H15C H 0.2246 0.0266 0.7055 0.22(2) Uiso 1 1 calc R . .
C16 C 0.1976(6) 0.2498(12) 0.6827(8) 0.111(4) Uani 1 1 d . . .
H16A H 0.2030 0.3304 0.6720 0.22(2) Uiso 1 1 calc R . .
H16B H 0.1945 0.2449 0.7280 0.22(2) Uiso 1 1 calc R . .
H16C H 0.1588 0.2190 0.6485 0.22(2) Uiso 1 1 calc R . .
C17 C 0.3879(11) -0.033(2) 0.5714(12) 0.162(7) Uani 1 1 d . . .
H17 H 0.4304 -0.0595 0.5867 0.16(4) Uiso 1 1 calc R . .
C18 C 0.4191(12) 0.111(2) 0.5067(15) 0.208(11) Uani 1 1 d . . .
H18A H 0.4501 0.1479 0.5466 0.22(2) Uiso 1 1 calc R . .
H18B H 0.3991 0.1686 0.4716 0.22(2) Uiso 1 1 calc R . .
H18C H 0.4405 0.0531 0.4883 0.22(2) Uiso 1 1 calc R . .
C19 C 0.3032(9) 0.1004(19) 0.4982(11) 0.156(6) Uani 1 1 d . . .
H19A H 0.2731 0.0361 0.4854 0.22(2) Uiso 1 1 calc R . .
H19B H 0.2980 0.1478 0.4579 0.22(2) Uiso 1 1 calc R . .
H19C H 0.2951 0.1476 0.5329 0.22(2) Uiso 1 1 calc R . .
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'
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'
H H 0.0000 0.0000 '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 O6 76.0(2) . 1_565
O11 Tb1 O1 144.8(2) . .
O6 Tb1 O1 135.37(18) 1_565 .
O11 Tb1 O7A 138.6(2) . .
O6 Tb1 O7A 73.08(19) 1_565 .
O1 Tb1 O7A 75.33(18) . .
O11 Tb1 O14 71.6(2) . .
O6 Tb1 O14 144.2(2) 1_565 .
O1 Tb1 O14 73.5(2) . .
O7A Tb1 O14 142.7(2) . .
O11 Tb1 O21 101.2(3) . .
O6 Tb1 O21 128.1(2) 1_565 .
O1 Tb1 O21 73.1(2) . .
O7A Tb1 O21 77.9(3) . .
O14 Tb1 O21 73.8(3) . .
O11 Tb1 O7B 79.9(2) . 2_656
O6 Tb1 O7B 83.5(2) 1_565 2_656
O1 Tb1 O7B 87.6(2) . 2_656
O7A Tb1 O7B 122.36(18) . 2_656
O14 Tb1 O7B 76.3(3) . 2_656
O21 Tb1 O7B 147.9(2) . 2_656
O11 Tb1 O23 72.2(2) . .
O6 Tb1 O23 81.3(2) 1_565 .
O1 Tb1 O23 120.6(2) . .
O7A Tb1 O23 76.5(2) . .
O14 Tb1 O23 102.5(3) . .
O21 Tb1 O23 50.3(2) . .
O7B Tb1 O23 150.7(2) 2_656 .
O11 Tb1 O7A 121.8(2) . 2_656
O6 Tb1 O7A 70.71(18) 1_565 2_656
O1 Tb1 O7A 70.02(18) . 2_656
O7A Tb1 O7A 71.97(18) . 2_656
O14 Tb1 O7A 114.9(2) . 2_656
O21 Tb1 O7A 136.9(2) . 2_656
O7B Tb1 O7A 50.54(17) 2_656 2_656
O23 Tb1 O7A 142.5(2) . 2_656
O11 Tb1 C7 100.4(2) . 2_656
O6 Tb1 C7 75.2(2) 1_565 2_656
O1 Tb1 C7 78.6(2) . 2_656
O7A Tb1 C7 97.6(2) . 2_656
O14 Tb1 C7 95.9(3) . 2_656
O21 Tb1 C7 151.6(2) . 2_656
O7B Tb1 C7 24.8(2) 2_656 2_656
O23 Tb1 C7 156.5(3) . 2_656
O7A Tb1 C7 25.79(19) 2_656 2_656
O11 Tb1 N20 86.6(2) . .
O6 Tb1 N20 105.0(2) 1_565 .
O1 Tb1 N20 96.8(2) . .
O7A Tb1 N20 75.72(19) . .
O14 Tb1 N20 88.0(3) . .
O21 Tb1 N20 25.1(2) . .
O7B Tb1 N20 161.9(2) 2_656 .
O23 Tb1 N20 25.3(2) . .
O7A Tb1 N20 147.23(19) 2_656 .
C7 Tb1 N20 172.8(2) 2_656 .
C1 O1 Tb1 136.9(5) . .
C6 O6 Tb1 138.2(5) . 1_545
C7 O7A Tb1 161.3(5) . .
C7 O7A Tb1 89.9(4) . 2_656
Tb1 O7A Tb1 108.03(18) . 2_656
C7 O7B Tb1 97.2(4) . 2_656
C11 O11 Tb1 134.8(6) . .
C14 O14 Tb1 132.1(6) . .
N20 O21 Tb1 98.0(5) . .
N20 O23 Tb1 95.9(5) . .
C11 N11 C13 123.0(10) . .
C11 N11 C12 119.8(9) . .
C13 N11 C12 117.2(9) . .
C14 N14 C15 121.0(9) . .
C14 N14 C16 119.2(9) . .
C15 N14 C16 119.8(9) . .
C17 N17 C18 119(2) . .
C17 N17 C19 123.1(18) . .
C18 N17 C19 118(2) . .
O22 N20 O21 122.6(9) . .
O22 N20 O23 121.6(9) . .
O21 N20 O23 115.7(7) . .
O22 N20 Tb1 178.0(7) . .
O21 N20 Tb1 56.9(4) . .
O23 N20 Tb1 58.8(4) . .
O1 C1 O1 128.6(9) . 2_656
O1 C1 C2 115.7(5) . .
O1 C1 C2 115.7(5) 2_656 .
C3 C2 C3 115.9(9) 2_656 .
C3 C2 C1 122.1(5) 2_656 .
C3 C2 C1 122.1(5) . .
F3 C3 C2 119.7(7) . .
F3 C3 C4 118.4(7) . .
C2 C3 C4 121.8(7) . .
F4 C4 C5 121.5(8) . .
F4 C4 C3 117.3(7) . .
C5 C4 C3 121.2(7) . .
C4 C5 C4 118.1(10) . 2_656
C4 C5 C6 121.0(5) . .
C4 C5 C6 121.0(5) 2_656 .
O6 C6 O6 127.9(9) . 2_656
O6 C6 C5 116.1(5) . .
O6 C6 C5 116.1(5) 2_656 .
O7B C7 O7A 122.3(7) . .
O7B C7 C8 119.0(7) . .
O7A C7 C8 118.8(7) . .
O7B C7 Tb1 58.0(4) . 2_656
O7A C7 Tb1 64.3(4) . 2_656
C8 C7 Tb1 176.4(5) . 2_656
C9 C8 C10 117.7(7) . .
C9 C8 C7 120.9(7) . .
C10 C8 C7 121.4(7) . .
F9 C9 C8 120.0(7) . .
F9 C9 C10 118.7(8) . 5_666
C8 C9 C10 121.3(8) . 5_666
F10 C10 C8 119.4(7) . .
F10 C10 C9 119.6(8) . 5_666
C8 C10 C9 121.0(8) . 5_666
O11 C11 N11 125.6(9) . .
O11 C11 H11 117.2 . .
N11 C11 H11 117.2 . .
N11 C12 H12A 109.5 . .
N11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
N11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N11 C13 H13A 109.5 . .
N11 C13 H13B 109.5 . .
N11 C13 H13C 109.5 . .
O14 C14 N14 124.7(10) . .
O14 C14 H14 117.7 . .
N14 C14 H14 117.7 . .
N14 C15 H15A 109.5 . .
N14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
N14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
N14 C16 H16A 109.5 . .
N14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
N14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O17 C17 N17 122(2) . .
O17 C17 H17 119.1 . .
N17 C17 H17 119.1 . .
N17 C18 H18A 109.5 . .
N17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N17 C19 H19A 109.5 . .
N17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
N17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O11 2.351(6) .
Tb1 O6 2.367(5) 1_565
Tb1 O1 2.367(5) .
Tb1 O7A 2.372(5) .
Tb1 O14 2.384(7) .
Tb1 O21 2.459(6) .
Tb1 O7B 2.471(6) 2_656
Tb1 O23 2.499(6) .
Tb1 O7A 2.603(5) 2_656
Tb1 C7 2.889(7) 2_656
Tb1 N20 2.906(7) .
F3 C3 1.350(9) .
F4 C4 1.338(9) .
F9 C9 1.340(10) .
F10 C10 1.351(9) .
O1 C1 1.256(7) .
O6 C6 1.248(7) .
O6 Tb1 2.367(5) 1_545
O7A C7 1.257(9) .
O7A Tb1 2.603(5) 2_656
O7B C7 1.220(10) .
O7B Tb1 2.471(6) 2_656
O11 C11 1.216(12) .
O14 C14 1.218(12) .
O17 C17 1.27(3) .
O21 N20 1.244(10) .
O22 N20 1.223(9) .
O23 N20 1.247(10) .
N11 C11 1.328(12) .
N11 C13 1.428(13) .
N11 C12 1.458(14) .
N14 C14 1.319(12) .
N14 C15 1.447(12) .
N14 C16 1.463(14) .
N17 C17 1.31(2) .
N17 C18 1.44(2) .
N17 C19 1.49(2) .
C1 O1 1.256(7) 2_656
C1 C2 1.532(13) .
C2 C3 1.385(9) 2_656
C2 C3 1.385(9) .
C3 C4 1.388(11) .
C4 C5 1.362(10) .
C5 C4 1.362(10) 2_656
C5 C6 1.541(13) .
C6 O6 1.248(7) 2_656
C7 C8 1.520(10) .
C7 Tb1 2.889(7) 2_656
C8 C9 1.367(11) .
C8 C10 1.381(11) .
C9 C10 1.388(10) 5_666
C10 C9 1.388(10) 5_666
C11 H11 0.9300 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14 0.9300 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 H17 0.9300 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O11 Tb1 O1 C1 -166.1(4) . .
O6 Tb1 O1 C1 -19.1(7) 1_565 .
O7A Tb1 O1 C1 27.0(5) . .
O14 Tb1 O1 C1 -173.9(6) . .
O21 Tb1 O1 C1 108.5(6) . .
O7B Tb1 O1 C1 -97.4(5) 2_656 .
O23 Tb1 O1 C1 91.2(6) . .
O7A Tb1 O1 C1 -48.8(5) 2_656 .
C7 Tb1 O1 C1 -74.1(5) 2_656 .
N20 Tb1 O1 C1 100.2(5) . .
O11 Tb1 O7A C7 -44.3(18) . .
O6 Tb1 O7A C7 -87.6(17) 1_565 .
O1 Tb1 O7A C7 124.4(17) . .
O14 Tb1 O7A C7 90.1(17) . .
O21 Tb1 O7A C7 48.9(17) . .
O7B Tb1 O7A C7 -158.2(16) 2_656 .
O23 Tb1 O7A C7 -2.8(17) . .
O7A Tb1 O7A C7 -162.3(16) 2_656 .
C7 Tb1 O7A C7 -159.6(18) 2_656 .
N20 Tb1 O7A C7 23.3(17) . .
O11 Tb1 O7A Tb1 118.7(3) . 2_656
O6 Tb1 O7A Tb1 75.4(2) 1_565 2_656
O1 Tb1 O7A Tb1 -72.7(2) . 2_656
O14 Tb1 O7A Tb1 -106.9(4) . 2_656
O21 Tb1 O7A Tb1 -148.1(3) . 2_656
O7B Tb1 O7A Tb1 4.8(3) 2_656 2_656
O23 Tb1 O7A Tb1 160.2(3) . 2_656
O7A Tb1 O7A Tb1 0.7(3) 2_656 2_656
C7 Tb1 O7A Tb1 3.4(2) 2_656 2_656
N20 Tb1 O7A Tb1 -173.8(3) . 2_656
O6 Tb1 O11 C11 57.7(10) 1_565 .
O1 Tb1 O11 C11 -145.5(9) . .
O7A Tb1 O11 C11 15.2(11) . .
O14 Tb1 O11 C11 -137.7(10) . .
O21 Tb1 O11 C11 -69.1(10) . .
O7B Tb1 O11 C11 143.5(10) 2_656 .
O23 Tb1 O11 C11 -27.5(10) . .
O7A Tb1 O11 C11 113.9(10) 2_656 .
C7 Tb1 O11 C11 129.5(10) 2_656 .
N20 Tb1 O11 C11 -48.7(10) . .
O11 Tb1 O14 C14 166.7(10) . .
O6 Tb1 O14 C14 -167.2(8) 1_565 .
O1 Tb1 O14 C14 -18.0(9) . .
O7A Tb1 O14 C14 16.6(12) . .
O21 Tb1 O14 C14 58.7(10) . .
O7B Tb1 O14 C14 -109.5(10) 2_656 .
O23 Tb1 O14 C14 100.5(10) . .
O7A Tb1 O14 C14 -76.0(10) 2_656 .
C7 Tb1 O14 C14 -94.3(10) 2_656 .
N20 Tb1 O14 C14 79.7(10) . .
O11 Tb1 O21 N20 55.5(6) . .
O6 Tb1 O21 N20 -25.4(8) 1_565 .
O1 Tb1 O21 N20 -160.3(7) . .
O7A Tb1 O21 N20 -82.2(6) . .
O14 Tb1 O21 N20 122.4(7) . .
O7B Tb1 O21 N20 144.3(5) 2_656 .
O23 Tb1 O21 N20 0.2(5) . .
O7A Tb1 O21 N20 -128.3(5) 2_656 .
C7 Tb1 O21 N20 -165.7(5) 2_656 .
O11 Tb1 O23 N20 -122.3(6) . .
O6 Tb1 O23 N20 159.8(5) 1_565 .
O1 Tb1 O23 N20 21.6(6) . .
O7A Tb1 O23 N20 85.2(5) . .
O14 Tb1 O23 N20 -56.5(6) . .
O21 Tb1 O23 N20 -0.2(5) . .
O7B Tb1 O23 N20 -140.7(5) 2_656 .
O7A Tb1 O23 N20 118.3(5) 2_656 .
C7 Tb1 O23 N20 163.0(5) 2_656 .
Tb1 O21 N20 O22 177.6(8) . .
Tb1 O21 N20 O23 -0.3(9) . .
Tb1 O23 N20 O22 -177.7(8) . .
Tb1 O23 N20 O21 0.3(9) . .
O11 Tb1 N20 O22 156(21) . .
O6 Tb1 N20 O22 81(21) 1_565 .
O1 Tb1 N20 O22 -59(21) . .
O7A Tb1 N20 O22 14(21) . .
O14 Tb1 N20 O22 -133(21) . .
O21 Tb1 N20 O22 -78(21) . .
O7B Tb1 N20 O22 -162(21) 2_656 .
O23 Tb1 N20 O22 102(21) . .
O7A Tb1 N20 O22 4(21) 2_656 .
C7 Tb1 N20 O22 -9(22) 2_656 .
O11 Tb1 N20 O21 -125.9(6) . .
O6 Tb1 N20 O21 159.6(6) 1_565 .
O1 Tb1 N20 O21 18.9(6) . .
O7A Tb1 N20 O21 91.8(6) . .
O14 Tb1 N20 O21 -54.3(6) . .
O7B Tb1 N20 O21 -84.2(10) 2_656 .
O23 Tb1 N20 O21 -179.7(9) . .
O7A Tb1 N20 O21 82.1(7) 2_656 .
C7 Tb1 N20 O21 69(2) 2_656 .
O11 Tb1 N20 O23 53.7(5) . .
O6 Tb1 N20 O23 -20.7(6) 1_565 .
O1 Tb1 N20 O23 -161.4(5) . .
O7A Tb1 N20 O23 -88.5(5) . .
O14 Tb1 N20 O23 125.4(5) . .
O21 Tb1 N20 O23 179.7(9) . .
O7B Tb1 N20 O23 95.5(9) 2_656 .
O7A Tb1 N20 O23 -98.2(6) 2_656 .
C7 Tb1 N20 O23 -111.4(19) 2_656 .
Tb1 O1 C1 O1 9.3(4) . 2_656
Tb1 O1 C1 C2 -170.7(4) . .
O1 C1 C2 C3 132.0(5) . 2_656
O1 C1 C2 C3 -48.0(5) 2_656 2_656
O1 C1 C2 C3 -48.0(5) . .
O1 C1 C2 C3 132.0(5) 2_656 .
C3 C2 C3 F3 179.0(9) 2_656 .
C1 C2 C3 F3 -1.0(9) . .
C3 C2 C3 C4 -0.5(6) 2_656 .
C1 C2 C3 C4 179.5(6) . .
F3 C3 C4 F4 0.6(13) . .
C2 C3 C4 F4 -179.9(7) . .
F3 C3 C4 C5 -178.5(8) . .
C2 C3 C4 C5 1.0(13) . .
F4 C4 C5 C4 -179.5(10) . 2_656
C3 C4 C5 C4 -0.5(6) . 2_656
F4 C4 C5 C6 0.5(10) . .
C3 C4 C5 C6 179.5(6) . .
Tb1 O6 C6 O6 -3.3(4) 1_545 2_656
Tb1 O6 C6 C5 176.7(4) 1_545 .
C4 C5 C6 O6 52.4(5) . .
C4 C5 C6 O6 -127.6(5) 2_656 .
C4 C5 C6 O6 -127.6(5) . 2_656
C4 C5 C6 O6 52.4(5) 2_656 2_656
Tb1 O7B C7 O7A -3.4(10) 2_656 .
Tb1 O7B C7 C8 177.7(6) 2_656 .
Tb1 O7A C7 O7B 167.0(12) . .
Tb1 O7A C7 O7B 3.2(9) 2_656 .
Tb1 O7A C7 C8 -14(2) . .
Tb1 O7A C7 C8 -177.9(7) 2_656 .
Tb1 O7A C7 Tb1 163.8(17) . 2_656
O7B C7 C8 C9 -99.8(10) . .
O7A C7 C8 C9 81.2(10) . .
Tb1 C7 C8 C9 -67(10) 2_656 .
O7B C7 C8 C10 80.3(11) . .
O7A C7 C8 C10 -98.7(10) . .
Tb1 C7 C8 C10 113(9) 2_656 .
C10 C8 C9 F9 -179.3(7) . .
C7 C8 C9 F9 0.8(12) . .
C10 C8 C9 C10 -0.9(13) . 5_666
C7 C8 C9 C10 179.2(7) . 5_666
C9 C8 C10 F10 179.4(7) . .
C7 C8 C10 F10 -0.7(11) . .
C9 C8 C10 C9 0.9(13) . 5_666
C7 C8 C10 C9 -179.2(7) . 5_666
Tb1 O11 C11 N11 156.2(8) . .
C13 N11 C11 O11 -177.5(11) . .
C12 N11 C11 O11 0.7(17) . .
Tb1 O14 C14 N14 179.1(7) . .
C15 N14 C14 O14 -178.1(10) . .
C16 N14 C14 O14 1.0(16) . .
C18 N17 C17 O17 176(2) . .
C19 N17 C17 O17 -1(4) . .
