#------------------------------------------------------------------------------
#$Date: 2019-09-23 12:48:42 +0300 (Mon, 23 Sep 2019) $
#$Revision: 218742 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/09/4340973.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_4340973
loop_
_publ_author_name
'Zhao, Fang-Hua'
'Li, Hui'
'Che, Yun-Xia'
'Zheng, Ji-Min'
'Vieru, Veacheslav'
'Chibotaru, Liviu F.'
'Grandjean, Fernande'
'Long, Gary J.'
_publ_section_title
;
 Synthesis, structure, and magnetic properties of Dy₂Co₂L₁₀(bipy)₂
 and Ln₂Ni₂L₁₀(bipy)₂, Ln = La, Gd, Tb, Dy, and Ho: slow magnetic
 relaxation in Dy₂Co₂L₁₀(bipy)₂ and Dy₂Ni₂L₁₀(bipy)₂
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   18
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9785
_journal_page_last               9799
_journal_paper_doi               10.1021/ic501374q
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C90 H46 Cl20 N4 Ni2 O20 Tb2'
_chemical_formula_weight         2647.57
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 130.831(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.432(4)
_cell_length_b                   13.017(3)
_cell_length_c                   27.049(8)
_cell_measurement_reflns_used    21502
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      3.03
_cell_volume                     4910(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0923
_diffrn_reflns_av_sigmaI/netI    0.0888
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            43469
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    2.415
_exptl_absorpt_correction_T_max  0.6438
_exptl_absorpt_correction_T_min  0.6438
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2600
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.804
_refine_diff_density_min         -0.605
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     622
_refine_ls_number_reflns         11130
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.0944
_refine_ls_R_factor_gt           0.0465
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0250P)²+1.4448P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0712
_refine_ls_wR_factor_ref         0.0819
_reflns_number_gt                7237
_reflns_number_total             11130
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic501374q_si_001.cif
_cod_data_source_block           4Tb2Ni2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/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 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4340970--4340975.cif.

  Updated bibliographic information.

 Antanas Vaitkus,
 2019-09-23
;
_cod_original_cell_volume        4910(2)
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               4340973
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.3883(3) 0.5270(4) 0.4274(2) 0.0412(11) Uani 1 1 d .
H1 H 0.3574 0.4621 0.4157 0.049 Uiso 1 1 calc R
C2 C 0.4511(3) 0.5443(4) 0.4171(2) 0.0523(14) Uani 1 1 d .
H2 H 0.4632 0.4927 0.3984 0.063 Uiso 1 1 calc R
C3 C 0.4955(4) 0.6373(5) 0.4344(3) 0.0696(17) Uani 1 1 d .
H3 H 0.5406 0.6506 0.4289 0.084 Uiso 1 1 calc R
C4 C 0.4748(4) 0.7127(4) 0.4599(3) 0.0682(17) Uani 1 1 d .
H4 H 0.5047 0.7782 0.4714 0.082 Uiso 1 1 calc R
C5 C 0.4097(3) 0.6906(4) 0.4683(2) 0.0421(12) Uani 1 1 d .
C6 C 0.3791(3) 0.7651(4) 0.4925(2) 0.0473(13) Uani 1 1 d .
C7 C 0.4107(4) 0.8668(4) 0.5088(3) 0.0671(16) Uani 1 1 d .
H7 H 0.4567 0.8912 0.5062 0.080 Uiso 1 1 calc R
C8 C 0.3748(5) 0.9315(4) 0.5285(3) 0.0733(18) Uani 1 1 d .
H8 H 0.3955 1.0009 0.5393 0.088 Uiso 1 1 calc R
C9 C 0.3095(4) 0.8953(4) 0.5327(3) 0.0647(16) Uani 1 1 d .
H9 H 0.2839 0.9390 0.5462 0.078 Uiso 1 1 calc R
C10 C 0.2813(4) 0.7936(4) 0.5168(3) 0.0572(14) Uani 1 1 d .
H10 H 0.2362 0.7678 0.5199 0.069 Uiso 1 1 calc R
C11 C 0.0976(3) 0.6606(3) 0.3678(2) 0.0357(11) Uani 1 1 d .
C12 C 0.0354(3) 0.7396(3) 0.3154(2) 0.0362(11) Uani 1 1 d .
C13 C 0.0726(3) 0.7988(3) 0.2941(2) 0.0424(12) Uani 1 1 d .
H13 H 0.1358 0.7872 0.3103 0.051 Uiso 1 1 calc R
C14 C 0.0163(4) 0.8748(3) 0.2489(2) 0.0432(12) Uani 1 1 d .
C15 C -0.0753(3) 0.8939(3) 0.2234(2) 0.0428(12) Uani 1 1 d .
H15 H -0.1125 0.9475 0.1927 0.051 Uiso 1 1 calc R
C16 C -0.1120(3) 0.8311(3) 0.2445(2) 0.0404(11) Uani 1 1 d .
C17 C -0.0570(3) 0.7561(3) 0.2910(2) 0.0403(11) Uani 1 1 d .
H17 H -0.0823 0.7161 0.3061 0.048 Uiso 1 1 calc R
C18 C 0.3199(3) 0.5462(3) 0.5795(2) 0.0357(11) Uani 1 1 d .
C19 C 0.3674(3) 0.5318(3) 0.6501(2) 0.0359(10) Uani 1 1 d .
C20 C 0.4512(3) 0.4760(4) 0.6891(2) 0.0440(11) Uani 1 1 d .
H20 H 0.4788 0.4503 0.6718 0.053 Uiso 1 1 calc R
C21 C 0.4949(3) 0.4578(4) 0.7534(2) 0.0503(13) Uani 1 1 d .
C22 C 0.4591(4) 0.4973(4) 0.7805(2) 0.0543(14) Uani 1 1 d .
H22 H 0.4905 0.4854 0.8251 0.065 Uiso 1 1 calc R
C23 C 0.3769(4) 0.5546(4) 0.7415(3) 0.0536(14) Uani 1 1 d .
C24 C 0.3287(3) 0.5724(4) 0.6757(2) 0.0454(12) Uani 1 1 d .
H24 H 0.2711 0.6113 0.6492 0.054 Uiso 1 1 calc R
C25 C -0.1388(3) 0.6037(3) 0.3965(2) 0.0361(11) Uani 1 1 d .
C26 C -0.2278(3) 0.6679(3) 0.3610(2) 0.0338(10) Uani 1 1 d .
C27 C -0.2801(3) 0.6924(3) 0.2961(2) 0.0405(12) Uani 1 1 d .
H27 H -0.2597 0.6698 0.2735 0.049 Uiso 1 1 calc R
C28 C -0.3625(3) 0.7501(4) 0.2643(2) 0.0483(13) Uani 1 1 d .
C29 C -0.3920(3) 0.7866(3) 0.2962(3) 0.0482(13) Uani 1 1 d .
H29 H -0.4480 0.8277 0.2740 0.058 Uiso 1 1 calc R
C30 C -0.3381(3) 0.7623(3) 0.3615(3) 0.0448(12) Uani 1 1 d .
C31 C -0.2567(3) 0.7028(3) 0.3942(2) 0.0387(11) Uani 1 1 d .
H31 H -0.2209 0.6859 0.4389 0.046 Uiso 1 1 calc R
C32 C -0.0696(3) 0.3214(3) 0.4389(2) 0.0353(11) Uani 1 1 d .
C33 C -0.1097(3) 0.2220(3) 0.4006(2) 0.0379(11) Uani 1 1 d .
C34 C -0.1177(3) 0.1363(3) 0.4273(2) 0.0445(12) Uani 1 1 d .
H34 H -0.0984 0.1387 0.4695 0.053 Uiso 1 1 calc R
C35 C -0.1543(4) 0.0473(3) 0.3907(3) 0.0534(14) Uani 1 1 d .
C36 C -0.1853(4) 0.0420(4) 0.3285(3) 0.0612(15) Uani 1 1 d .
H36 H -0.2121 -0.0194 0.3036 0.073 Uiso 1 1 calc R
C37 C -0.1759(4) 0.1289(4) 0.3039(3) 0.0590(15) Uani 1 1 d .
C38 C -0.1368(3) 0.2181(4) 0.3393(2) 0.0479(13) Uani 1 1 d .
H38 H -0.1284 0.2760 0.3221 0.058 Uiso 1 1 calc R
C39 C 0.1920(3) 0.3728(3) 0.4384(2) 0.0353(11) Uani 1 1 d .
C40 C 0.1900(3) 0.2610(3) 0.4226(2) 0.0342(10) Uani 1 1 d .
C41 C 0.1273(3) 0.1930(3) 0.4171(2) 0.0436(12) Uani 1 1 d .
H41 H 0.0851 0.2160 0.4236 0.052 Uiso 1 1 calc R
C42 C 0.1267(3) 0.0918(4) 0.4023(2) 0.0486(13) Uani 1 1 d .
C43 C 0.1856(4) 0.0572(4) 0.3911(2) 0.0503(13) Uani 1 1 d .
H43 H 0.1834 -0.0124 0.3797 0.060 Uiso 1 1 calc R
C44 C 0.2471(4) 0.1251(4) 0.3968(2) 0.0477(13) Uani 1 1 d .
C45 C 0.2514(3) 0.2271(4) 0.4132(2) 0.0431(12) Uani 1 1 d .
H45 H 0.2956 0.2730 0.4178 0.052 Uiso 1 1 calc R
Cl1 Cl 0.06487(11) 0.95220(11) 0.22368(7) 0.0677(4) Uani 1 1 d .
Cl2 Cl -0.22996(9) 0.84739(10) 0.21126(6) 0.0559(3) Uani 1 1 d .
Cl3 Cl 0.59816(11) 0.38246(14) 0.80095(8) 0.0891(5) Uani 1 1 d .
Cl4 Cl 0.33048(15) 0.60451(16) 0.77515(9) 0.1123(7) Uani 1 1 d .
Cl5 Cl -0.37336(11) 0.80824(11) 0.40332(8) 0.0738(4) Uani 1 1 d .
Cl6 Cl -0.43465(10) 0.77500(13) 0.18082(7) 0.0767(5) Uani 1 1 d .
Cl7 Cl -0.16161(15) -0.06213(11) 0.42396(10) 0.0976(6) Uani 1 1 d .
Cl8 Cl -0.20962(17) 0.12469(13) 0.22712(9) 0.1148(7) Uani 1 1 d .
Cl9 Cl 0.04999(12) 0.00454(11) 0.39612(9) 0.0831(5) Uani 1 1 d .
Cl10 Cl 0.32280(12) 0.08219(11) 0.38368(9) 0.0827(5) Uani 1 1 d .
N1 N 0.3689(2) 0.5975(3) 0.45316(17) 0.0336(9) Uani 1 1 d .
N2 N 0.3156(3) 0.7299(3) 0.49718(18) 0.0440(10) Uani 1 1 d .
Ni1 Ni 0.27653(4) 0.57817(4) 0.46896(3) 0.03419(14) Uani 1 1 d .
O1 O 0.1708(2) 0.6312(2) 0.37791(15) 0.0452(8) Uani 1 1 d .
O2 O 0.0750(2) 0.6307(2) 0.40004(15) 0.0424(8) Uani 1 1 d .
O3 O 0.3707(2) 0.5350(2) 0.56462(15) 0.0474(8) Uani 1 1 d .
O4 O 0.2328(2) 0.5721(2) 0.53791(15) 0.0460(8) Uani 1 1 d .
O5 O -0.0969(2) 0.5959(2) 0.37436(15) 0.0430(8) Uani 1 1 d .
O6 O -0.1087(2) 0.5593(2) 0.44870(15) 0.0418(8) Uani 1 1 d .
O7 O -0.0708(2) 0.3316(2) 0.48434(15) 0.0403(8) Uani 1 1 d .
O8 O -0.0400(2) 0.3854(2) 0.42055(15) 0.0434(8) Uani 1 1 d .
O9 O 0.1351(2) 0.4008(2) 0.44663(16) 0.0455(8) Uani 1 1 d .
O10 O 0.2496(2) 0.4299(2) 0.44172(15) 0.0427(8) Uani 1 1 d .
Tb1 Tb 0.060600(14) 0.525804(15) 0.460425(10) 0.02844(7) 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'
Ni Ni 0.3393 1.1124 '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'
Cl Cl 0.1484 0.1585 '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
N1 C1 C2 122.8(5) . .
N1 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C3 C2 C1 118.1(5) . .
C3 C2 H2 120.9 . .
C1 C2 H2 120.9 . .
C2 C3 C4 120.1(5) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C3 C4 C5 118.8(5) . .
C3 C4 H4 120.6 . .
C5 C4 H4 120.6 . .
N1 C5 C4 120.6(4) . .
N1 C5 C6 115.4(4) . .
C4 C5 C6 124.0(5) . .
N2 C6 C7 120.3(5) . .
N2 C6 C5 115.5(4) . .
C7 C6 C5 124.3(5) . .
C8 C7 C6 119.7(5) . .
C8 C7 H7 120.1 . .
C6 C7 H7 120.1 . .
C9 C8 C7 119.7(5) . .
C9 C8 H8 120.2 . .
C7 C8 H8 120.2 . .
C8 C9 C10 118.4(5) . .
C8 C9 H9 120.8 . .
C10 C9 H9 120.8 . .
N2 C10 C9 122.4(5) . .
N2 C10 H10 118.8 . .
C9 C10 H10 118.8 . .
O1 C11 O2 123.8(4) . .
O1 C11 C12 117.8(4) . .
O2 C11 C12 118.3(4) . .
C17 C12 C13 120.4(4) . .
C17 C12 C11 119.9(4) . .
C13 C12 C11 119.6(4) . .
C14 C13 C12 118.6(4) . .
C14 C13 H13 120.7 . .
C12 C13 H13 120.7 . .
C15 C14 C13 123.1(4) . .
C15 C14 Cl1 118.4(4) . .
C13 C14 Cl1 118.5(4) . .
C14 C15 C16 117.0(4) . .
C14 C15 H15 121.5 . .
C16 C15 H15 121.5 . .
C17 C16 C15 121.7(4) . .
C17 C16 Cl2 118.9(4) . .
C15 C16 Cl2 119.5(3) . .
C16 C17 C12 119.1(4) . .
C16 C17 H17 120.4 . .
C12 C17 H17 120.4 . .
O3 C18 O4 122.0(4) . .
O3 C18 C19 117.3(4) . .
O4 C18 C19 120.7(4) . .
C20 C19 C24 120.4(4) . .
C20 C19 C18 117.9(4) . .
C24 C19 C18 121.7(4) . .
C21 C20 C19 119.6(4) . .
C21 C20 H20 120.2 . .
C19 C20 H20 120.2 . .
C22 C21 C20 121.6(5) . .
C22 C21 Cl3 119.5(4) . .
C20 C21 Cl3 118.9(4) . .
C21 C22 C23 118.1(5) . .
C21 C22 H22 120.9 . .
C23 C22 H22 120.9 . .
C22 C23 C24 122.2(5) . .
C22 C23 Cl4 118.6(4) . .
C24 C23 Cl4 119.2(4) . .
C19 C24 C23 118.0(5) . .
C19 C24 H24 121.0 . .
C23 C24 H24 121.0 . .
O5 C25 O6 122.5(4) . .
O5 C25 C26 119.8(4) . .
O6 C25 C26 117.8(4) . .
C27 C26 C31 120.2(4) . .
C27 C26 C25 120.5(4) . .
C31 C26 C25 119.3(4) . .
C26 C27 C28 119.4(4) . .
C26 C27 H27 120.3 . .
C28 C27 H27 120.3 . .
C29 C28 C27 121.5(5) . .
C29 C28 Cl6 118.0(4) . .
C27 C28 Cl6 120.4(4) . .
C28 C29 C30 118.4(4) . .
C28 C29 H29 120.8 . .
C30 C29 H29 120.8 . .
C31 C30 C29 121.3(4) . .
C31 C30 Cl5 119.2(4) . .
C29 C30 Cl5 119.4(4) . .
C30 C31 C26 119.1(4) . .
C30 C31 H31 120.5 . .
C26 C31 H31 120.5 . .
O7 C32 O8 127.3(4) . .
O7 C32 C33 116.6(4) . .
O8 C32 C33 116.1(4) . .
C34 C33 C38 121.0(4) . .
C34 C33 C32 120.2(4) . .
C38 C33 C32 118.8(4) . .
C35 C34 C33 118.1(5) . .
C35 C34 H34 120.9 . .
C33 C34 H34 120.9 . .
C36 C35 C34 122.3(5) . .
C36 C35 Cl7 118.7(4) . .
C34 C35 Cl7 119.0(4) . .
C35 C36 C37 117.7(5) . .
C35 C36 H36 121.1 . .
C37 C36 H36 121.1 . .
C38 C37 C36 122.1(5) . .
C38 C37 Cl8 118.4(4) . .
C36 C37 Cl8 119.5(4) . .
C37 C38 C33 118.7(5) . .
C37 C38 H38 120.7 . .
C33 C38 H38 120.7 . .
O10 C39 O9 125.5(4) . .
O10 C39 C40 117.0(4) . .
O9 C39 C40 117.4(4) . .
C41 C40 C45 120.1(4) . .
C41 C40 C39 120.7(4) . .
C45 C40 C39 119.2(4) . .
C42 C41 C40 119.4(4) . .
C42 C41 H41 120.3 . .
C40 C41 H41 120.3 . .
C41 C42 C43 121.3(4) . .
C41 C42 Cl9 120.4(4) . .
C43 C42 Cl9 118.3(4) . .
C44 C43 C42 118.6(4) . .
C44 C43 H43 120.7 . .
C42 C43 H43 120.7 . .
C43 C44 C45 121.7(4) . .
C43 C44 Cl10 119.1(4) . .
C45 C44 Cl10 119.1(4) . .
C44 C45 C40 118.8(4) . .
C44 C45 H45 120.6 . .
C40 C45 H45 120.6 . .
C1 N1 C5 119.5(4) . .
C1 N1 Ni1 125.0(3) . .
C5 N1 Ni1 115.4(3) . .
C6 N2 C10 119.5(4) . .
C6 N2 Ni1 114.0(3) . .
C10 N2 Ni1 126.5(3) . .
O10 Ni1 O1 94.10(13) . .
O10 Ni1 N1 94.70(13) . .
O1 Ni1 N1 88.53(13) . .
O10 Ni1 O3 90.12(13) . .
O1 Ni1 O3 170.50(12) . .
N1 Ni1 O3 99.62(13) . .
O10 Ni1 N2 174.27(13) . .
O1 Ni1 N2 87.07(14) . .
N1 Ni1 N2 79.71(15) . .
O3 Ni1 N2 89.58(14) . .
C11 O1 Ni1 114.6(3) . .
C11 O2 Tb1 159.7(3) . .
C18 O3 Ni1 100.5(3) . .
C18 O4 Tb1 150.3(3) . .
C25 O5 Tb1 107.3(3) . .
C25 O6 Tb1 177.2(3) . 3_566
C32 O7 Tb1 132.4(3) . 3_566
C32 O8 Tb1 139.6(3) . .
C39 O9 Tb1 152.1(3) . .
C39 O10 Ni1 126.2(3) . .
O2 Tb1 O6 156.91(11) . 3_566
O2 Tb1 O8 125.12(11) . .
O6 Tb1 O8 75.31(11) 3_566 .
O2 Tb1 O9 86.89(10) . .
O6 Tb1 O9 88.78(11) 3_566 .
O8 Tb1 O9 75.42(10) . .
O2 Tb1 O7 89.08(11) . 3_566
O6 Tb1 O7 83.31(11) 3_566 3_566
O8 Tb1 O7 129.67(10) . 3_566
O9 Tb1 O7 149.72(11) . 3_566
O2 Tb1 O5 73.30(10) . .
O6 Tb1 O5 126.63(10) 3_566 .
O8 Tb1 O5 75.90(11) . .
O9 Tb1 O5 125.21(11) . .
O7 Tb1 O5 81.85(11) 3_566 .
O2 Tb1 O4 76.98(11) . .
O6 Tb1 O4 80.00(11) 3_566 .
O8 Tb1 O4 141.45(10) . .
O9 Tb1 O4 74.90(11) . .
O7 Tb1 O4 74.95(10) 3_566 .
O5 Tb1 O4 142.30(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.335(5) .
C1 C2 1.375(6) .
C1 H1 0.9500 .
C2 C3 1.361(7) .
C2 H2 0.9500 .
C3 C4 1.389(7) .
C3 H3 0.9500 .
C4 C5 1.390(6) .
C4 H4 0.9500 .
C5 N1 1.341(5) .
C5 C6 1.472(6) .
C6 N2 1.339(5) .
C6 C7 1.396(6) .
C7 C8 1.377(7) .
C7 H7 0.9500 .
C8 C9 1.364(7) .
C8 H8 0.9500 .
C9 C10 1.385(7) .
C9 H9 0.9500 .
C10 N2 1.343(5) .
C10 H10 0.9500 .
C11 O1 1.248(5) .
C11 O2 1.250(5) .
C11 C12 1.502(6) .
C12 C17 1.383(6) .
C12 C13 1.384(5) .
C13 C14 1.375(6) .
C13 H13 0.9500 .
C14 C15 1.366(6) .
C14 Cl1 1.755(4) .
C15 C16 1.398(6) .
C15 H15 0.9500 .
C16 C17 1.377(6) .
C16 Cl2 1.740(4) .
C17 H17 0.9500 .
C18 O3 1.245(5) .
C18 O4 1.262(5) .
C18 C19 1.505(6) .
C19 C20 1.377(6) .
C19 C24 1.382(6) .
C20 C21 1.377(6) .
C20 H20 0.9500 .
C21 C22 1.367(7) .
C21 Cl3 1.743(5) .
C22 C23 1.370(7) .
C22 H22 0.9500 .
C23 C24 1.395(7) .
C23 Cl4 1.732(5) .
C24 H24 0.9500 .
C25 O5 1.252(5) .
C25 O6 1.269(5) .
C25 C26 1.500(6) .
C26 C27 1.377(6) .
C26 C31 1.388(6) .
C27 C28 1.379(6) .
C27 H27 0.9500 .
C28 C29 1.371(6) .
C28 Cl6 1.744(5) .
C29 C30 1.382(6) .
C29 H29 0.9500 .
C30 C31 1.378(6) .
C30 Cl5 1.739(5) .
C31 H31 0.9500 .
C32 O7 1.251(5) .
C32 O8 1.261(5) .
C32 C33 1.514(6) .
C33 C34 1.386(6) .
C33 C38 1.388(6) .
C34 C35 1.379(6) .
C34 H34 0.9500 .
C35 C36 1.379(7) .
C35 Cl7 1.737(5) .
C36 C37 1.380(7) .
C36 H36 0.9500 .
C37 C38 1.372(6) .
C37 Cl8 1.735(5) .
C38 H38 0.9500 .
C39 O10 1.252(5) .
C39 O9 1.258(4) .
C39 C40 1.510(6) .
C40 C41 1.385(6) .
C40 C45 1.386(5) .
C41 C42 1.375(6) .
C41 H41 0.9500 .
C42 C43 1.380(6) .
C42 Cl9 1.734(5) .
C43 C44 1.364(6) .
C43 H43 0.9500 .
C44 C45 1.386(6) .
C44 Cl10 1.741(4) .
C45 H45 0.9500 .
N1 Ni1 2.024(3) .
N2 Ni1 2.070(4) .
Ni1 O10 2.009(3) .
Ni1 O1 2.016(3) .
Ni1 O3 2.037(3) .
O2 Tb1 2.274(3) .
O4 Tb1 2.477(3) .
O5 Tb1 2.417(3) .
O6 Tb1 2.282(3) 3_566
O7 Tb1 2.312(3) 3_566
O8 Tb1 2.308(3) .
O9 Tb1 2.312(3) .
Tb1 O6 2.282(3) 3_566
Tb1 O7 2.312(3) 3_566
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 0.4(7) .
C1 C2 C3 C4 -1.8(8) .
C2 C3 C4 C5 1.0(9) .
C3 C4 C5 N1 1.2(8) .
C3 C4 C5 C6 -177.6(5) .
N1 C5 C6 N2 0.9(6) .
C4 C5 C6 N2 179.8(5) .
N1 C5 C6 C7 -177.8(5) .
C4 C5 C6 C7 1.1(8) .
N2 C6 C7 C8 -1.2(8) .
C5 C6 C7 C8 177.5(5) .
C6 C7 C8 C9 0.6(9) .
C7 C8 C9 C10 0.1(9) .
C8 C9 C10 N2 -0.4(8) .
O1 C11 C12 C17 163.9(4) .
O2 C11 C12 C17 -18.3(6) .
O1 C11 C12 C13 -19.1(6) .
O2 C11 C12 C13 158.6(4) .
C17 C12 C13 C14 0.8(7) .
C11 C12 C13 C14 -176.2(4) .
C12 C13 C14 C15 -0.8(7) .
C12 C13 C14 Cl1 178.2(3) .
C13 C14 C15 C16 -0.9(7) .
Cl1 C14 C15 C16 -179.9(3) .
C14 C15 C16 C17 2.7(7) .
C14 C15 C16 Cl2 -177.2(4) .
C15 C16 C17 C12 -2.8(7) .
Cl2 C16 C17 C12 177.1(3) .
C13 C12 C17 C16 0.9(7) .
C11 C12 C17 C16 177.9(4) .
O3 C18 C19 C20 -20.9(6) .
O4 C18 C19 C20 161.5(4) .
O3 C18 C19 C24 159.3(4) .
O4 C18 C19 C24 -18.3(6) .
C24 C19 C20 C21 2.2(7) .
C18 C19 C20 C21 -177.5(4) .
C19 C20 C21 C22 -2.7(7) .
C19 C20 C21 Cl3 177.3(3) .
C20 C21 C22 C23 1.2(7) .
Cl3 C21 C22 C23 -178.8(4) .
C21 C22 C23 C24 0.7(7) .
C21 C22 C23 Cl4 179.7(4) .
C20 C19 C24 C23 -0.4(7) .
C18 C19 C24 C23 179.4(4) .
C22 C23 C24 C19 -1.1(7) .
Cl4 C23 C24 C19 179.9(3) .
O5 C25 C26 C27 19.8(6) .
O6 C25 C26 C27 -160.6(4) .
O5 C25 C26 C31 -159.9(4) .
O6 C25 C26 C31 19.7(6) .
C31 C26 C27 C28 -1.4(6) .
C25 C26 C27 C28 178.9(4) .
C26 C27 C28 C29 2.2(7) .
C26 C27 C28 Cl6 -175.6(3) .
C27 C28 C29 C30 -1.5(7) .
Cl6 C28 C29 C30 176.4(4) .
C28 C29 C30 C31 -0.1(7) .
C28 C29 C30 Cl5 179.6(3) .
C29 C30 C31 C26 0.9(7) .
Cl5 C30 C31 C26 -178.8(3) .
C27 C26 C31 C30 -0.1(6) .
C25 C26 C31 C30 179.6(4) .
O7 C32 C33 C34 -20.1(6) .
O8 C32 C33 C34 161.1(4) .
O7 C32 C33 C38 160.9(4) .
O8 C32 C33 C38 -17.9(6) .
C38 C33 C34 C35 -0.8(7) .
C32 C33 C34 C35 -179.8(4) .
C33 C34 C35 C36 -1.7(8) .
C33 C34 C35 Cl7 178.1(3) .
C34 C35 C36 C37 1.9(8) .
Cl7 C35 C36 C37 -177.9(4) .
C35 C36 C37 C38 0.5(9) .
C35 C36 C37 Cl8 177.6(4) .
C36 C37 C38 C33 -2.8(8) .
Cl8 C37 C38 C33 180.0(4) .
C34 C33 C38 C37 3.0(7) .
C32 C33 C38 C37 -178.0(4) .
O10 C39 C40 C41 -179.0(4) .
O9 C39 C40 C41 0.4(6) .
O10 C39 C40 C45 0.5(6) .
O9 C39 C40 C45 179.9(4) .
C45 C40 C41 C42 0.0(7) .
C39 C40 C41 C42 179.6(4) .
C40 C41 C42 C43 -1.6(8) .
C40 C41 C42 Cl9 179.2(4) .
C41 C42 C43 C44 1.8(8) .
Cl9 C42 C43 C44 -179.0(4) .
C42 C43 C44 C45 -0.3(8) .
C42 C43 C44 Cl10 179.3(4) .
C43 C44 C45 C40 -1.3(8) .
Cl10 C44 C45 C40 179.1(4) .
C41 C40 C45 C44 1.4(7) .
C39 C40 C45 C44 -178.2(4) .
C2 C1 N1 C5 1.9(7) .
C2 C1 N1 Ni1 179.4(3) .
C4 C5 N1 C1 -2.6(7) .
C6 C5 N1 C1 176.3(4) .
C4 C5 N1 Ni1 179.6(4) .
C6 C5 N1 Ni1 -1.5(5) .
C7 C6 N2 C10 0.9(7) .
C5 C6 N2 C10 -177.9(4) .
C7 C6 N2 Ni1 178.8(4) .
C5 C6 N2 Ni1 0.1(5) .
C9 C10 N2 C6 -0.1(8) .
C9 C10 N2 Ni1 -177.7(4) .
C1 N1 Ni1 O10 4.8(4) .
C5 N1 Ni1 O10 -177.5(3) .
C1 N1 Ni1 O1 -89.1(4) .
C5 N1 Ni1 O1 88.5(3) .
C1 N1 Ni1 O3 95.8(4) .
C5 N1 Ni1 O3 -86.6(3) .
C1 N1 Ni1 N2 -176.4(4) .
C5 N1 Ni1 N2 1.2(3) .
C6 N2 Ni1 O1 -89.7(3) .
C10 N2 Ni1 O1 88.1(4) .
C6 N2 Ni1 N1 -0.7(3) .
C10 N2 Ni1 N1 177.1(4) .
C6 N2 Ni1 O3 99.2(3) .
C10 N2 Ni1 O3 -83.0(4) .
O2 C11 O1 Ni1 -23.3(6) .
C12 C11 O1 Ni1 154.4(3) .
O10 Ni1 O1 C11 103.6(3) .
N1 Ni1 O1 C11 -161.8(3) .
N2 Ni1 O1 C11 -82.1(3) .
O1 C11 O2 Tb1 -31.2(12) .
C12 C11 O2 Tb1 151.1(7) .
O4 C18 O3 Ni1 3.6(5) .
C19 C18 O3 Ni1 -174.0(3) .
O10 Ni1 O3 C18 -100.1(3) .
N1 Ni1 O3 C18 165.1(3) .
N2 Ni1 O3 C18 85.6(3) .
O3 C18 O4 Tb1 97.8(6) .
C19 C18 O4 Tb1 -84.7(7) .
O6 C25 O5 Tb1 -14.5(5) .
C26 C25 O5 Tb1 165.1(3) .
O8 C32 O7 Tb1 18.1(7) 3_566
C33 C32 O7 Tb1 -160.6(3) 3_566
O7 C32 O8 Tb1 21.7(7) .
C33 C32 O8 Tb1 -159.5(3) .
O10 C39 O9 Tb1 8.8(10) .
C40 C39 O9 Tb1 -170.5(4) .
O9 C39 O10 Ni1 6.1(6) .
C40 C39 O10 Ni1 -174.6(3) .
O1 Ni1 O10 C39 -88.3(4) .
N1 Ni1 O10 C39 -177.2(4) .
O3 Ni1 O10 C39 83.1(4) .
C11 O2 Tb1 O6 76.8(9) 3_566
C11 O2 Tb1 O8 -72.5(9) .
C11 O2 Tb1 O9 -2.7(9) .
C11 O2 Tb1 O7 147.2(9) 3_566
C11 O2 Tb1 O5 -131.0(9) .
C11 O2 Tb1 O4 72.5(9) .
C32 O8 Tb1 O2 -171.6(4) .
C32 O8 Tb1 O6 20.3(4) 3_566
C32 O8 Tb1 O9 113.0(4) .
C32 O8 Tb1 O7 -47.7(5) 3_566
C32 O8 Tb1 O5 -114.2(4) .
C32 O8 Tb1 O4 72.2(5) .
C39 O9 Tb1 O2 29.7(6) .
C39 O9 Tb1 O6 -127.6(6) 3_566
C39 O9 Tb1 O8 157.2(7) .
C39 O9 Tb1 O7 -53.2(7) 3_566
C39 O9 Tb1 O5 96.7(6) .
C39 O9 Tb1 O4 -47.7(6) .
C25 O5 Tb1 O2 -148.4(3) .
C25 O5 Tb1 O6 18.5(3) 3_566
C25 O5 Tb1 O8 77.6(3) .
C25 O5 Tb1 O9 138.0(3) .
C25 O5 Tb1 O7 -56.9(3) 3_566
C25 O5 Tb1 O4 -109.0(3) .
C18 O4 Tb1 O2 -131.3(6) .
C18 O4 Tb1 O6 50.4(6) 3_566
C18 O4 Tb1 O8 -0.2(7) .
C18 O4 Tb1 O9 -41.0(6) .
C18 O4 Tb1 O7 136.1(6) 3_566
C18 O4 Tb1 O5 -169.9(5) .
