#------------------------------------------------------------------------------
#$Date: 2019-09-04 10:57:35 +0300 (Wed, 04 Sep 2019) $
#$Revision: 217983 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/36/7233654.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_7233654
loop_
_publ_author_name
'Cheng-Hui Zeng'
'Jing-Ling Wang'
'Yang-Yi Yang'
'Tian-Shu Chu'
'Sheng-Liang Zhong'
'Seik Weng Ng'
'Wing-Tak Wong'
_publ_section_title
;
 Lanthanide CPs: the guest-tunable drastic changes of luminescent quantum
 yields, and two photon luminescence
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              2235
_journal_page_last               2242
_journal_paper_doi               10.1039/C3TC32309A
_journal_volume                  2
_journal_year                    2014
_chemical_formula_sum            'C42 H37 N4 O7 Tb'
_chemical_formula_weight         868.69
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                97.275(5)
_cell_angle_beta                 96.048(5)
_cell_angle_gamma                98.684(6)
_cell_formula_units_Z            2
_cell_length_a                   9.2946(7)
_cell_length_b                   13.8614(9)
_cell_length_c                   14.4942(8)
_cell_measurement_reflns_used    5140
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      62.5190
_cell_measurement_theta_min      3.0962
_cell_volume                     1816.3(2)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0625
_diffrn_reflns_av_sigmaI/netI    0.0632
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            9171
_diffrn_reflns_theta_full        62.61
_diffrn_reflns_theta_max         62.61
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    10.056
_exptl_absorpt_correction_T_max  0.4042
_exptl_absorpt_correction_T_min  0.3548
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.603
_refine_diff_density_min         -1.727
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         5630
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0424
_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)+(0.0714P)²+0.5549P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1085
_refine_ls_wR_factor_ref         0.1108
_reflns_number_gt                5282
_reflns_number_total             5630
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1000004.cif
_cod_data_source_block           PCOD1000004
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7233654
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Tb1 Tb 0.29953(3) 0.039108(17) 0.493948(15) 0.01211(12) Uani 1 1 d . . .
O1 O 0.3928(4) -0.1070(2) 0.4502(2) 0.0212(7) Uani 1 1 d . . .
O2 O 0.5706(4) -0.1932(2) 0.4323(2) 0.0211(7) Uani 1 1 d . . .
O3 O 0.1812(4) 0.1561(3) 0.4195(2) 0.0261(8) Uani 1 1 d . . .
O5 O 0.4153(3) 0.0723(2) 0.3637(2) 0.0171(7) Uani 1 1 d . . .
O7 O 0.3721(4) -0.0161(2) 0.6318(2) 0.0191(7) Uani 1 1 d . . .
O9 O 0.1527(3) 0.0964(2) 0.6056(2) 0.0173(7) Uani 1 1 d . . .
O12 O 0.0880(3) -0.0512(2) 0.4180(2) 0.0178(7) Uani 1 1 d . . .
N1 N 0.3378(4) 0.1684(3) 0.2226(3) 0.0214(9) Uani 1 1 d . . .
H1A H 0.3198 0.1503 0.2754 0.026 Uiso 1 1 calc R . .
N2 N 0.2744(5) 0.1909(3) 0.7759(3) 0.0245(9) Uani 1 1 d . . .
H2A H 0.2763 0.1860 0.7163 0.029 Uiso 1 1 calc R . .
N3 N 0.5102(5) -0.3858(3) 0.3774(3) 0.0256(9) Uani 1 1 d . . .
H3A H 0.5724 -0.3381 0.4097 0.031 Uiso 1 1 calc R . .
N6 N 0.0347(5) 0.2718(3) 0.4321(3) 0.0251(9) Uani 1 1 d . . .
C1 C 0.6671(6) 0.2679(4) 0.8612(4) 0.0313(12) Uani 1 1 d . . .
H1B H 0.7561 0.2524 0.8453 0.038 Uiso 1 1 calc R . .
C2 C 0.5777(7) -0.6447(4) 0.3494(4) 0.0368(14) Uani 1 1 d . . .
H2B H 0.5525 -0.7023 0.3748 0.044 Uiso 1 1 calc R . .
C3 C 0.0000(6) 0.1136(4) 0.9299(3) 0.0277(11) Uani 1 1 d . . .
H3B H -0.0075 0.1170 0.9937 0.033 Uiso 1 1 calc R . .
C4 C 0.3249(5) -0.2773(3) 0.3846(3) 0.0184(9) Uani 1 1 d . . .
C5 C 0.5372(6) 0.2166(4) 0.8123(3) 0.0229(10) Uani 1 1 d . . .
H5A H 0.5394 0.1651 0.7648 0.027 Uiso 1 1 calc R . .
C6 C 0.2544(6) -0.4496(4) 0.3183(4) 0.0264(11) Uani 1 1 d . . .
H6A H 0.2774 -0.5121 0.3026 0.032 Uiso 1 1 calc R . .
C7 C 0.1636(6) 0.2427(4) 0.4394(3) 0.0258(11) Uani 1 1 d . . .
H7A H 0.2463 0.2901 0.4609 0.031 Uiso 1 1 calc R . .
C8 C 0.1285(6) 0.1563(4) 0.9012(3) 0.0254(11) Uani 1 1 d . . .
H8A H 0.2050 0.1899 0.9456 0.031 Uiso 1 1 calc R . .
C9 C 0.6695(6) -0.6434(4) 0.2794(4) 0.0360(13) Uani 1 1 d . . .
H9A H 0.7040 -0.7003 0.2569 0.043 Uiso 1 1 calc R . .
C10 C 0.1116(6) -0.4345(4) 0.2993(4) 0.0331(12) Uani 1 1 d . . .
H10A H 0.0399 -0.4873 0.2713 0.040 Uiso 1 1 calc R . .
C11 C 0.3648(6) -0.3723(4) 0.3607(3) 0.0219(10) Uani 1 1 d . . .
C12 C 0.5241(6) -0.5604(4) 0.3814(4) 0.0290(12) Uani 1 1 d . . .
H12B H 0.4622 -0.5618 0.4278 0.035 Uiso 1 1 calc R . .
C14 C -0.1171(6) 0.0661(4) 0.8662(4) 0.0279(11) Uani 1 1 d . . .
H14A H -0.2039 0.0393 0.8867 0.034 Uiso 1 1 calc R . .
C15 C 0.1810(6) -0.2662(4) 0.3643(4) 0.0264(11) Uani 1 1 d . . .
H15A H 0.1557 -0.2045 0.3805 0.032 Uiso 1 1 calc R . .
C16 C 0.4040(5) 0.2402(4) 0.8326(3) 0.0199(10) Uani 1 1 d . . .
C17 C 0.0966(6) 0.2101(4) 0.1888(3) 0.0246(11) Uani 1 1 d . . .
H17A H 0.0574 0.1554 0.2146 0.030 Uiso 1 1 calc R . .
C21 C 0.1447(5) 0.1493(3) 0.8048(3) 0.0189(10) Uani 1 1 d . . .
C22 C 0.0724(6) -0.3423(4) 0.3210(4) 0.0347(13) Uani 1 1 d . . .
H22A H -0.0237 -0.3322 0.3068 0.042 Uiso 1 1 calc R . .
C23 C 0.3041(6) 0.3155(4) 0.1493(3) 0.0263(11) Uani 1 1 d . . .
H23A H 0.4047 0.3318 0.1486 0.032 Uiso 1 1 calc R . .
C24 C 0.2470(5) 0.2300(4) 0.1848(3) 0.0200(10) Uani 1 1 d . . .
C25 C -0.1049(6) 0.0587(4) 0.7710(3) 0.0226(10) Uani 1 1 d . . .
H25A H -0.1842 0.0269 0.7278 0.027 Uiso 1 1 calc R . .
C27 C 0.4344(6) -0.1881(3) 0.4247(3) 0.0182(10) Uani 1 1 d . . .
C28 C 0.6552(6) -0.4714(4) 0.2760(4) 0.0299(12) Uani 1 1 d . . .
H28A H 0.6824 -0.4135 0.2514 0.036 Uiso 1 1 calc R . .
C29 C 0.7083(7) -0.5575(5) 0.2440(5) 0.0391(14) Uani 1 1 d . . .
H29A H 0.7708 -0.5562 0.1980 0.047 Uiso 1 1 calc R . .
C32 C 0.4024(6) 0.3179(4) 0.9053(3) 0.0283(11) Uani 1 1 d . . .
H32A H 0.3140 0.3363 0.9189 0.034 Uiso 1 1 calc R . .
C34 C 0.0042(7) 0.2716(4) 0.1545(4) 0.0327(13) Uani 1 1 d . . .
H34A H -0.0963 0.2574 0.1567 0.039 Uiso 1 1 calc R . .
C37 C 0.5621(6) -0.4736(4) 0.3444(3) 0.0214(10) Uani 1 1 d . . .
C40 C 0.0312(5) 0.0806(3) 0.6352(3) 0.0135(9) Uani 1 1 d . . .
C41 C 0.6890(6) 0.0673(4) 0.1017(4) 0.0269(11) Uani 1 1 d . . .
H41A H 0.7680 0.0463 0.0753 0.032 Uiso 1 1 calc R . .
C43 C 0.6643(5) 0.0505(3) 0.1910(3) 0.0197(10) Uani 1 1 d . . .
H43A H 0.7271 0.0173 0.2243 0.024 Uiso 1 1 calc R . .
C44 C 0.5289(5) 0.0556(3) 0.3278(3) 0.0144(9) Uani 1 1 d . . .
C45 C 0.0627(7) 0.3540(4) 0.1171(4) 0.0322(13) Uani 1 1 d . . .
H45A H 0.0013 0.3947 0.0935 0.039 Uiso 1 1 calc R . .
C46 C 0.5940(6) 0.1161(4) 0.0523(3) 0.0277(12) Uani 1 1 d . . .
H46A H 0.6077 0.1263 -0.0086 0.033 Uiso 1 1 calc R . .
C47 C 0.5479(5) 0.0819(3) 0.2323(3) 0.0163(9) Uani 1 1 d . . .
C52 C 0.4526(5) 0.1339(3) 0.1834(3) 0.0182(10) Uani 1 1 d . . .
C60 C 0.0252(5) 0.0984(3) 0.7393(3) 0.0160(9) Uani 1 1 d . . .
C61 C 0.2111(7) 0.3753(4) 0.1152(4) 0.0301(12) Uani 1 1 d . . .
H61A H 0.2499 0.4309 0.0906 0.036 Uiso 1 1 calc R . .
C62 C 0.0221(8) 0.3758(5) 0.4500(5) 0.0468(16) Uani 1 1 d . . .
H62A H 0.1174 0.4142 0.4710 0.070 Uiso 1 1 calc R . .
H62B H -0.0412 0.3855 0.4973 0.070 Uiso 1 1 calc R . .
H62C H -0.0183 0.3961 0.3932 0.070 Uiso 1 1 calc R . .
C63 C -0.0979(6) 0.2010(4) 0.3997(4) 0.0343(13) Uani 1 1 d . . .
H63A H -0.0740 0.1357 0.3908 0.052 Uiso 1 1 calc R . .
H63B H -0.1424 0.2155 0.3413 0.052 Uiso 1 1 calc R . .
H63C H -0.1651 0.2049 0.4454 0.052 Uiso 1 1 calc R . .
C64 C 0.5324(7) 0.3660(4) 0.9561(4) 0.0324(13) Uani 1 1 d . . .
H64A H 0.5309 0.4150 1.0060 0.039 Uiso 1 1 calc R . .
C65 C 0.6651(6) 0.3427(4) 0.9339(4) 0.0345(13) Uani 1 1 d . . .
H65A H 0.7526 0.3770 0.9676 0.041 Uiso 1 1 calc R . .
C66 C 0.4802(6) 0.1494(4) 0.0921(3) 0.0225(10) Uani 1 1 d . . .
H66A H 0.4194 0.1833 0.0580 0.027 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -9.1472 9.1891 '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
O12 Tb1 O7 112.23(11) . .
O12 Tb1 O5 98.47(11) . .
O7 Tb1 O5 133.85(11) . .
O12 Tb1 O2 148.61(11) . 2_656
O7 Tb1 O2 84.99(12) . 2_656
O5 Tb1 O2 85.82(11) . 2_656
O12 Tb1 O1 82.70(12) . .
O7 Tb1 O1 74.11(11) . .
O5 Tb1 O1 76.74(11) . .
O2 Tb1 O1 128.24(12) 2_656 .
O12 Tb1 O9 85.37(11) . .
O7 Tb1 O9 72.93(11) . .
O5 Tb1 O9 145.75(11) . .
O2 Tb1 O9 74.58(11) 2_656 .
O1 Tb1 O9 137.31(11) . .
O12 Tb1 O3 76.12(12) . .
O7 Tb1 O3 147.31(11) . .
O5 Tb1 O3 71.54(11) . .
O2 Tb1 O3 75.87(12) 2_656 .
O1 Tb1 O3 138.33(11) . .
O9 Tb1 O3 76.52(11) . .
O12 Tb1 O1 160.77(11) . 2_656
O7 Tb1 O1 70.14(10) . 2_656
O5 Tb1 O1 70.02(10) . 2_656
O2 Tb1 O1 48.59(10) 2_656 2_656
O1 Tb1 O1 79.69(12) . 2_656
O9 Tb1 O1 112.94(10) . 2_656
O3 Tb1 O1 112.74(11) . 2_656
C27 O1 Tb1 176.2(3) . .
C27 O1 Tb1 83.4(3) . 2_656
Tb1 O1 Tb1 100.31(12) . 2_656
C27 O2 Tb1 107.9(3) . 2_656
C7 O3 Tb1 137.2(3) . .
C44 O5 Tb1 138.8(3) . .
C44 O7 Tb1 143.0(3) 2_656 .
C40 O9 Tb1 144.7(3) . .
C40 O12 Tb1 164.1(3) 2_556 .
C52 N1 C24 126.6(4) . .
C52 N1 H1A 116.7 . .
C24 N1 H1A 116.7 . .
C21 N2 C16 127.7(4) . .
C21 N2 H2A 116.1 . .
C16 N2 H2A 116.1 . .
C11 N3 C37 124.1(4) . .
C11 N3 H3A 118.0 . .
C37 N3 H3A 118.0 . .
C7 N6 C63 120.4(4) . .
C7 N6 C62 121.4(5) . .
C63 N6 C62 118.1(5) . .
C5 C1 C65 120.0(5) . .
C5 C1 H1B 120.0 . .
C65 C1 H1B 120.0 . .
C12 C2 C9 120.2(5) . .
C12 C2 H2B 119.9 . .
C9 C2 H2B 119.9 . .
C14 C3 C8 121.3(4) . .
C14 C3 H3B 119.3 . .
C8 C3 H3B 119.3 . .
C15 C4 C11 118.9(5) . .
C15 C4 C27 118.2(4) . .
C11 C4 C27 122.8(4) . .
C1 C5 C16 121.1(5) . .
C1 C5 H5A 119.5 . .
C16 C5 H5A 119.5 . .
C10 C6 C11 120.9(5) . .
C10 C6 H6A 119.6 . .
C11 C6 H6A 119.6 . .
O3 C7 N6 124.0(5) . .
O3 C7 H7A 118.0 . .
N6 C7 H7A 118.0 . .
C3 C8 C21 120.5(5) . .
C3 C8 H8A 119.7 . .
C21 C8 H8A 119.7 . .
C29 C9 C2 119.3(5) . .
C29 C9 H9A 120.3 . .
C2 C9 H9A 120.3 . .
C6 C10 C22 121.5(5) . .
C6 C10 H10A 119.2 . .
C22 C10 H10A 119.2 . .
N3 C11 C6 121.4(5) . .
N3 C11 C4 120.6(5) . .
C6 C11 C4 117.9(5) . .
C2 C12 C37 120.4(5) . .
C2 C12 H12B 119.8 . .
C37 C12 H12B 119.8 . .
C3 C14 C25 119.5(5) . .
C3 C14 H14A 120.3 . .
C25 C14 H14A 120.3 . .
C4 C15 C22 123.2(5) . .
C4 C15 H15A 118.4 . .
C22 C15 H15A 118.4 . .
C5 C16 C32 118.8(5) . .
C5 C16 N2 119.1(4) . .
C32 C16 N2 122.0(5) . .
C24 C17 C34 120.6(5) . .
C24 C17 H17A 119.7 . .
C34 C17 H17A 119.7 . .
N2 C21 C8 120.6(5) . .
N2 C21 C60 121.3(4) . .
C8 C21 C60 118.1(4) . .
C15 C22 C10 117.6(5) . .
C15 C22 H22A 121.2 . .
C10 C22 H22A 121.2 . .
C61 C23 C24 120.2(5) . .
C61 C23 H23A 119.9 . .
C24 C23 H23A 119.9 . .
C17 C24 C23 118.5(4) . .
C17 C24 N1 119.2(4) . .
C23 C24 N1 122.2(5) . .
C14 C25 C60 120.8(5) . .
C14 C25 H25A 119.6 . .
C60 C25 H25A 119.6 . .
O1 C27 O2 119.9(4) . .
O1 C27 C4 120.5(4) . .
O2 C27 C4 119.6(4) . .
C37 C28 C29 119.3(5) . .
C37 C28 H28A 120.3 . .
C29 C28 H28A 120.3 . .
C9 C29 C28 121.1(6) . .
C9 C29 H29A 119.4 . .
C28 C29 H29A 119.4 . .
C64 C32 C16 119.6(5) . .
C64 C32 H32A 120.2 . .
C16 C32 H32A 120.2 . .
C45 C34 C17 119.8(5) . .
C45 C34 H34A 120.1 . .
C17 C34 H34A 120.1 . .
C28 C37 C12 119.7(5) . .
C28 C37 N3 119.1(5) . .
C12 C37 N3 121.2(5) . .
O9 C40 O12 123.2(4) . 2_556
O9 C40 C60 118.9(4) . .
O12 C40 C60 117.9(4) 2_556 .
C43 C41 C46 118.7(5) . .
C43 C41 H41A 120.7 . .
C46 C41 H41A 120.7 . .
C41 C43 C47 121.7(4) . .
C41 C43 H43A 119.1 . .
C47 C43 H43A 119.1 . .
O5 C44 O7 123.3(4) . 2_656
O5 C44 C47 118.9(4) . .
O7 C44 C47 117.7(4) 2_656 .
C61 C45 C34 119.8(5) . .
C61 C45 H45A 120.1 . .
C34 C45 H45A 120.1 . .
C66 C46 C41 120.7(4) . .
C66 C46 H46A 119.7 . .
C41 C46 H46A 119.7 . .
C43 C47 C52 120.0(4) . .
C43 C47 C44 116.7(4) . .
C52 C47 C44 123.3(4) . .
N1 C52 C66 121.2(4) . .
N1 C52 C47 121.9(4) . .
C66 C52 C47 116.9(4) . .
C25 C60 C21 119.7(4) . .
C25 C60 C40 116.9(4) . .
C21 C60 C40 123.4(4) . .
C45 C61 C23 121.1(5) . .
C45 C61 H61A 119.5 . .
C23 C61 H61A 119.5 . .
N6 C62 H62A 109.5 . .
N6 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
N6 C62 H62C 109.5 . .
H62A C62 H62C 109.5 . .
H62B C62 H62C 109.5 . .
N6 C63 H63A 109.5 . .
N6 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
N6 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C32 C64 C65 120.9(5) . .
C32 C64 H64A 119.6 . .
C65 C64 H64A 119.6 . .
C64 C65 C1 119.5(5) . .
C64 C65 H65A 120.2 . .
C1 C65 H65A 120.2 . .
C46 C66 C52 122.0(4) . .
C46 C66 H66A 119.0 . .
C52 C66 H66A 119.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O12 2.257(3) .
Tb1 O7 2.301(3) .
Tb1 O5 2.331(3) .
Tb1 O2 2.352(3) 2_656
Tb1 O1 2.361(3) .
Tb1 O9 2.362(3) .
Tb1 O3 2.395(3) .
Tb1 O1 2.868(4) 2_656
O1 C27 1.267(6) .
O1 Tb1 2.868(4) 2_656
O2 C27 1.273(6) .
O2 Tb1 2.352(3) 2_656
O3 C7 1.237(6) .
O5 C44 1.264(6) .
O7 C44 1.268(6) 2_656
O9 C40 1.248(6) .
O12 C40 1.262(6) 2_556
N1 C52 1.379(6) .
N1 C24 1.407(6) .
N1 H1A 0.8600 .
N2 C21 1.385(7) .
N2 C16 1.412(6) .
N2 H2A 0.8600 .
N3 C11 1.392(7) .
N3 C37 1.421(7) .
N3 H3A 0.8600 .
N6 C7 1.319(7) .
N6 C63 1.448(8) .
N6 C62 1.457(7) .
C1 C5 1.378(8) .
C1 C65 1.386(9) .
C1 H1B 0.9300 .
C2 C12 1.383(8) .
C2 C9 1.393(9) .
C2 H2B 0.9300 .
C3 C14 1.375(8) .
C3 C8 1.379(8) .
C3 H3B 0.9300 .
C4 C15 1.375(7) .
C4 C11 1.432(7) .
C4 C27 1.489(7) .
C5 C16 1.379(7) .
C5 H5A 0.9300 .
C6 C10 1.380(8) .
C6 C11 1.395(8) .
C6 H6A 0.9300 .
C7 H7A 0.9300 .
C8 C21 1.415(7) .
C8 H8A 0.9300 .
C9 C29 1.369(9) .
C9 H9A 0.9300 .
C10 C22 1.389(8) .
C10 H10A 0.9300 .
C12 C37 1.392(8) .
C12 H12B 0.9300 .
C14 C25 1.388(7) .
C14 H14A 0.9300 .
C15 C22 1.379(8) .
C15 H15A 0.9300 .
C16 C32 1.411(7) .
C17 C24 1.392(7) .
C17 C34 1.397(8) .
C17 H17A 0.9300 .
C21 C60 1.416(7) .
C22 H22A 0.9300 .
C23 C61 1.381(8) .
C23 C24 1.404(7) .
C23 H23A 0.9300 .
C25 C60 1.399(7) .
C25 H25A 0.9300 .
C28 C37 1.383(8) .
C28 C29 1.402(8) .
C28 H28A 0.9300 .
C29 H29A 0.9300 .
C32 C64 1.375(8) .
C32 H32A 0.9300 .
C34 C45 1.387(9) .
C34 H34A 0.9300 .
C40 O12 1.262(6) 2_556
C40 C60 1.506(6) .
C41 C43 1.380(7) .
C41 C46 1.386(8) .
C41 H41A 0.9300 .
C43 C47 1.390(7) .
C43 H43A 0.9300 .
C44 O7 1.268(6) 2_656
C44 C47 1.497(6) .
C45 C61 1.371(9) .
C45 H45A 0.9300 .
C46 C66 1.369(8) .
C46 H46A 0.9300 .
C47 C52 1.414(7) .
C52 C66 1.410(7) .
C61 H61A 0.9300 .
C62 H62A 0.9600 .
C62 H62B 0.9600 .
C62 H62C 0.9600 .
C63 H63A 0.9600 .
C63 H63B 0.9600 .
C63 H63C 0.9600 .
C64 C65 1.381(9) .
C64 H64A 0.9300 .
C65 H65A 0.9300 .
C66 H66A 0.9300 .
