#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:43:56 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180051 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/45/7034523.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_7034523
loop_
_publ_author_name
'Wu, Wen-Ya'
'Zhang, Rui-Feng'
'Zhang, Xue-Jing'
'Cheng, Peng'
_publ_section_title
;
 Two novel 3d-4f heterometallic coordination polymers with infinite
 [Ln4(OH)4]n(8n+) chains involving in situ decarboxylation.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7144
_journal_page_last               7147
_journal_paper_doi               10.1039/c5dt00586h
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C82 H58 Co N8 O28 Tb4'
_chemical_formula_sum            'C82 H58 Co N8 O28 Tb4'
_chemical_formula_weight         2297.97
_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
;
2014-10-03 deposited with the CCDC.
2015-03-23 downloaded from the CCDC.
;
_cell_angle_alpha                109.24(3)
_cell_angle_beta                 93.49(3)
_cell_angle_gamma                92.70(3)
_cell_formula_units_Z            1
_cell_length_a                   7.6995(15)
_cell_length_b                   13.641(3)
_cell_length_c                   19.040(4)
_cell_measurement_reflns_used    15964
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.54
_cell_measurement_theta_min      2.99
_cell_volume                     1879.8(8)
_computing_cell_refinement       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_data_collection       'RAPID-AUTO (Rigaku 1998 RAPID-AUTO)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       'ω scan'
_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  0.0344
_diffrn_reflns_av_sigmaI/netI    0.0464
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            18022
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.025
_exptl_absorpt_correction_T_max  0.4824
_exptl_absorpt_correction_T_min  0.4351
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.030
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1117
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.126
_refine_diff_density_min         -1.374
_refine_diff_density_rms         0.188
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     556
_refine_ls_number_reflns         8308
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.097
_refine_ls_R_factor_all          0.0413
_refine_ls_R_factor_gt           0.0330
_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)+(0.0381P)²+7.6774P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.0924
_reflns_number_gt                7096
_reflns_number_total             8308
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00586h2.cif
_cod_data_source_block           h-7
_cod_depositor_comments
'Adding full bibliography for 7034523--7034524.cif.'
_cod_original_cell_volume        1879.6(6)
_cod_database_code               7034523
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
C1 C 0.6551(7) 0.1175(4) 0.2315(3) 0.0189(10) Uani 1 1 d .
C2 C 0.7787(7) 0.1774(4) 0.2954(3) 0.0200(11) Uani 1 1 d .
C3 C 0.9483(8) 0.1564(5) 0.3041(3) 0.0253(12) Uani 1 1 d .
H3 H 0.9923 0.0998 0.2693 0.030 Uiso 1 1 calc R
C4 C 1.0575(8) 0.2208(5) 0.3662(3) 0.0269(12) Uani 1 1 d .
C5 C 1.2354(9) 0.2044(6) 0.3792(4) 0.0400(17) Uani 1 1 d .
H5 H 1.2859 0.1497 0.3454 0.048 Uiso 1 1 calc R
C6 C 1.3333(10) 0.2684(7) 0.4411(4) 0.049(2) Uani 1 1 d .
H6 H 1.4496 0.2565 0.4491 0.059 Uiso 1 1 calc R
C7 C 1.2600(11) 0.3518(7) 0.4927(4) 0.050(2) Uani 1 1 d .
H7 H 1.3278 0.3947 0.5346 0.060 Uiso 1 1 calc R
C8 C 1.0897(10) 0.3703(6) 0.4816(4) 0.0444(18) Uani 1 1 d .
H8 H 1.0419 0.4256 0.5162 0.053 Uiso 1 1 calc R
C9 C 0.9852(9) 0.3059(5) 0.4178(3) 0.0316(14) Uani 1 1 d .
C10 C 0.7172(8) 0.2652(5) 0.3503(3) 0.0289(13) Uani 1 1 d .
H10 H 0.6014 0.2794 0.3439 0.035 Uiso 1 1 calc R
C11 C 0.2422(7) -0.0745(4) 0.1865(3) 0.0202(11) Uani 1 1 d .
C12 C 0.2703(8) -0.0888(5) 0.2600(3) 0.0246(12) Uani 1 1 d .
C13 C 0.1342(9) -0.0975(5) 0.3003(3) 0.0301(13) Uani 1 1 d .
H13 H 0.0206 -0.0974 0.2808 0.036 Uiso 1 1 calc R
C14 C 0.1642(11) -0.1066(5) 0.3720(4) 0.0391(17) Uani 1 1 d .
C15 C 0.0268(13) -0.1177(7) 0.4155(4) 0.053(2) Uani 1 1 d U
H15 H -0.0886 -0.1195 0.3973 0.064 Uiso 1 1 calc R
C16 C 0.0650(14) -0.1260(7) 0.4853(5) 0.062(2) Uani 1 1 d U
H16 H -0.0236 -0.1341 0.5145 0.074 Uiso 1 1 calc R
C17 C 0.2379(15) -0.1219(7) 0.5103(5) 0.064(2) Uani 1 1 d U
H17 H 0.2624 -0.1259 0.5577 0.077 Uiso 1 1 calc R
C18 C 0.3752(14) -0.1122(7) 0.4709(5) 0.063(2) Uani 1 1 d U
H18 H 0.4891 -0.1105 0.4908 0.076 Uiso 1 1 calc R
C19 C 0.3414(11) -0.1049(6) 0.3982(4) 0.0433(17) Uani 1 1 d U
C20 C 0.4410(9) -0.0885(6) 0.2922(4) 0.0376(16) Uani 1 1 d .
H20 H 0.5334 -0.0827 0.2642 0.045 Uiso 1 1 calc R
C21 C 0.5978(7) 0.2703(5) 0.0778(3) 0.0249(12) Uani 1 1 d .
C22 C 0.5310(7) 0.3662(5) 0.1319(3) 0.0237(12) Uani 1 1 d .
C23 C 0.5008(8) 0.3716(5) 0.2035(3) 0.0282(13) Uani 1 1 d .
H23 H 0.5279 0.3172 0.2205 0.034 Uiso 1 1 calc R
C24 C 0.4289(8) 0.4596(5) 0.2507(3) 0.0276(13) Uani 1 1 d .
C25 C 0.3928(9) 0.4680(6) 0.3247(4) 0.0375(16) Uani 1 1 d .
H25 H 0.4180 0.4147 0.3432 0.045 Uiso 1 1 calc R
C26 C 0.3213(10) 0.5541(6) 0.3683(4) 0.0421(17) Uani 1 1 d .
H26 H 0.2987 0.5598 0.4168 0.051 Uiso 1 1 calc R
C27 C 0.2813(10) 0.6346(5) 0.3406(4) 0.0417(17) Uani 1 1 d .
H27 H 0.2332 0.6933 0.3713 0.050 Uiso 1 1 calc R
C28 C 0.3120(9) 0.6279(5) 0.2693(4) 0.0385(16) Uani 1 1 d .
H28 H 0.2841 0.6818 0.2518 0.046 Uiso 1 1 calc R
C29 C 0.3859(7) 0.5398(4) 0.2222(4) 0.0264(12) Uani 1 1 d .
C30 C 0.4811(8) 0.4500(5) 0.1082(4) 0.0310(13) Uani 1 1 d .
H30 H 0.4979 0.4452 0.0592 0.037 Uiso 1 1 calc R
C31 C 0.0875(7) 0.2070(4) 0.1343(3) 0.0162(10) Uani 1 1 d .
C32 C 0.0308(6) 0.3147(4) 0.1477(3) 0.0153(10) Uani 1 1 d .
C33 C -0.0225(7) 0.3711(4) 0.2168(3) 0.0211(11) Uani 1 1 d .
H33 H -0.0250 0.3416 0.2544 0.025 Uiso 1 1 calc R
C34 C -0.0725(7) 0.4723(4) 0.2301(3) 0.0185(10) Uani 1 1 d .
C35 C -0.1340(8) 0.5333(5) 0.2993(3) 0.0275(13) Uani 1 1 d .
H35 H -0.1382 0.5064 0.3382 0.033 Uiso 1 1 calc R
C36 C -0.1862(9) 0.6300(5) 0.3086(3) 0.0326(14) Uani 1 1 d .
H36 H -0.2285 0.6683 0.3535 0.039 Uiso 1 1 calc R
C37 C -0.1769(9) 0.6730(5) 0.2506(3) 0.0306(14) Uani 1 1 d .
H37 H -0.2101 0.7401 0.2579 0.037 Uiso 1 1 calc R
C38 C -0.1198(8) 0.6164(4) 0.1843(3) 0.0268(12) Uani 1 1 d .
H38 H -0.1169 0.6450 0.1463 0.032 Uiso 1 1 calc R
C39 C -0.0649(7) 0.5160(4) 0.1718(3) 0.0179(10) Uani 1 1 d .
C40 C 0.0300(7) 0.3631(4) 0.0927(3) 0.0174(10) Uani 1 1 d .
C41 C 0.0791(7) 0.3046(4) 0.0150(3) 0.0170(10) Uani 1 1 d .
Co1 Co 0.0000 0.5000 0.0000 0.0189(2) Uani 1 2 d S
Tb1 Tb 0.88715(3) -0.037435(18) 0.079043(12) 0.01227(7) Uani 1 1 d .
Tb2 Tb 0.42068(3) 0.056382(18) 0.096446(12) 0.01428(7) Uani 1 1 d .
N1 N 0.8129(8) 0.3279(5) 0.4095(3) 0.0404(14) Uani 1 1 d .
N2 N 0.4797(9) -0.0957(6) 0.3586(4) 0.0527(18) Uani 1 1 d .
N3 N 0.4140(7) 0.5326(4) 0.1498(3) 0.0335(12) Uani 1 1 d .
N4 N -0.0147(6) 0.4590(3) 0.1029(2) 0.0182(9) Uani 1 1 d .
O1 O 0.4979(5) 0.1395(3) 0.2312(2) 0.0245(9) Uani 1 1 d .
O2 O 0.7078(5) 0.0445(3) 0.1767(2) 0.0214(8) Uani 1 1 d .
O3 O 0.3686(5) -0.0786(3) 0.1473(2) 0.0253(9) Uani 1 1 d .
O4 O 0.0907(6) -0.0545(4) 0.1691(2) 0.0335(10) Uani 1 1 d .
O5 O 0.6134(5) 0.1935(3) 0.1008(2) 0.0219(8) Uani 1 1 d .
O6 O 0.6221(7) 0.2675(4) 0.0135(3) 0.0426(12) Uani 1 1 d .
O7 O 0.2477(5) 0.1945(3) 0.1295(3) 0.0310(10) Uani 1 1 d .
O8 O -0.0253(5) 0.1369(3) 0.1319(2) 0.0248(8) Uani 1 1 d .
O9 O 0.0749(5) 0.2075(3) -0.0035(2) 0.0235(8) Uani 1 1 d .
O10 O 0.1211(6) 0.3569(3) -0.0253(2) 0.0268(9) Uani 1 1 d .
O11 O 0.5948(4) -0.0701(3) 0.02570(18) 0.0146(7) Uani 1 1 d .
H111 H 0.5426 -0.1282 0.0220 0.022 Uiso 1 1 d R
O12 O 0.7293(6) -0.1678(3) 0.1311(2) 0.0315(10) Uani 1 1 d .
H121 H 0.7388 -0.2307 0.1046 0.047 Uiso 1 1 d R
H122 H 0.7780 -0.1557 0.1747 0.047 Uiso 1 1 d R
O13 O 0.1596(4) -0.0291(3) 0.02399(18) 0.0154(7) Uani 1 1 d .
H131 H 0.1857 -0.0919 0.0068 0.023 Uiso 1 1 d R
O14 O 0.2315(6) 0.5883(4) 0.0422(3) 0.0356(11) Uani 1 1 d .
H141 H 0.2910 0.5855 0.0805 0.053 Uiso 1 1 d R
H142 H 0.2795 0.6333 0.0261 0.053 Uiso 1 1 d 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'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
O1 C1 O2 120.5(5) . .
O1 C1 C2 119.2(5) . .
O2 C1 C2 120.3(5) . .
O1 C1 Tb2 57.1(3) . .
O2 C1 Tb2 65.8(3) . .
C2 C1 Tb2 163.3(4) . .
C3 C2 C10 118.0(5) . .
C3 C2 C1 124.4(5) . .
C10 C2 C1 117.5(5) . .
C2 C3 C4 119.9(5) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C3 C4 C9 118.1(6) . .
C3 C4 C5 123.4(6) . .
C9 C4 C5 118.4(6) . .
C6 C5 C4 120.6(7) . .
C6 C5 H5 119.7 . .
C4 C5 H5 119.7 . .
C5 C6 C7 120.6(7) . .
C5 C6 H6 119.7 . .
C7 C6 H6 119.7 . .
C8 C7 C6 120.3(7) . .
C8 C7 H7 119.8 . .
C6 C7 H7 119.8 . .
C7 C8 C9 120.4(7) . .
C7 C8 H8 119.8 . .
C9 C8 H8 119.8 . .
N1 C9 C4 122.4(6) . .
N1 C9 C8 118.0(6) . .
C4 C9 C8 119.6(6) . .
N1 C10 C2 124.7(6) . .
N1 C10 H10 117.6 . .
C2 C10 H10 117.6 . .
O3 C11 O4 124.3(5) . .
O3 C11 C12 119.4(5) . .
O4 C11 C12 116.3(5) . .
C13 C12 C20 117.9(5) . .
C13 C12 C11 121.3(5) . .
C20 C12 C11 120.7(5) . .
C12 C13 C14 120.5(6) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
C15 C14 C13 122.5(7) . .
C15 C14 C19 121.3(7) . .
C13 C14 C19 116.2(7) . .
C16 C15 C14 119.7(9) . .
C16 C15 H15 120.2 . .
C14 C15 H15 120.2 . .
C17 C16 C15 118.1(9) . .
C17 C16 H16 120.9 . .
C15 C16 H16 120.9 . .
C18 C17 C16 124.8(9) . .
C18 C17 H17 117.6 . .
C16 C17 H17 117.6 . .
C17 C18 C19 118.8(9) . .
C17 C18 H18 120.6 . .
C19 C18 H18 120.6 . .
N2 C19 C14 124.1(6) . .
N2 C19 C18 118.6(8) . .
C14 C19 C18 117.3(8) . .
N2 C20 C12 125.3(7) . .
N2 C20 H20 117.4 . .
C12 C20 H20 117.4 . .
O6 C21 O5 123.9(6) . .
O6 C21 C22 119.9(6) . .
O5 C21 C22 116.0(5) . .
C23 C22 C30 117.6(5) . .
C23 C22 C21 121.5(5) . .
C30 C22 C21 120.7(5) . .
C22 C23 C24 119.7(6) . .
C22 C23 H23 120.1 . .
C24 C23 H23 120.1 . .
C23 C24 C29 118.5(6) . .
C23 C24 C25 121.7(6) . .
C29 C24 C25 119.8(6) . .
C26 C25 C24 119.8(7) . .
C26 C25 H25 120.1 . .
C24 C25 H25 120.1 . .
C25 C26 C27 120.5(7) . .
C25 C26 H26 119.7 . .
C27 C26 H26 119.7 . .
C28 C27 C26 121.0(6) . .
C28 C27 H27 119.5 . .
C26 C27 H27 119.5 . .
C27 C28 C29 120.3(6) . .
C27 C28 H28 119.9 . .
C29 C28 H28 119.9 . .
N3 C29 C28 120.1(6) . .
N3 C29 C24 121.3(5) . .
C28 C29 C24 118.6(6) . .
N3 C30 C22 124.7(6) . .
N3 C30 H30 117.7 . .
C22 C30 H30 117.7 . .
O8 C31 O7 124.5(5) . .
O8 C31 C32 118.1(5) . .
O7 C31 C32 117.3(5) . .
C33 C32 C40 117.4(5) . .
C33 C32 C31 119.7(5) . .
C40 C32 C31 122.8(4) . .
C32 C33 C34 120.0(5) . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C33 C34 C39 118.7(5) . .
C33 C34 C35 122.7(5) . .
C39 C34 C35 118.6(5) . .
C36 C35 C34 120.5(6) . .
C36 C35 H35 119.8 . .
C34 C35 H35 119.8 . .
C35 C36 C37 120.5(5) . .
C35 C36 H36 119.7 . .
C37 C36 H36 119.7 . .
C38 C37 C36 120.0(5) . .
C38 C37 H37 120.0 . .
C36 C37 H37 120.0 . .
C37 C38 C39 121.7(6) . .
C37 C38 H38 119.2 . .
C39 C38 H38 119.2 . .
N4 C39 C38 120.1(5) . .
N4 C39 C34 121.1(5) . .
C38 C39 C34 118.7(5) . .
N4 C40 C32 124.7(5) . .
N4 C40 C41 114.9(4) . .
C32 C40 C41 120.4(4) . .
O9 C41 O10 125.6(5) . .
O9 C41 C40 116.8(5) . .
O10 C41 C40 117.6(5) . .
O14 Co1 O14 180.0(3) . 2_565
O14 Co1 O10 86.75(19) . 2_565
O14 Co1 O10 93.25(19) 2_565 2_565
O14 Co1 O10 93.25(19) . .
O14 Co1 O10 86.75(19) 2_565 .
O10 Co1 O10 180.0 2_565 .
O14 Co1 N4 88.96(17) . 2_565
O14 Co1 N4 91.04(17) 2_565 2_565
O10 Co1 N4 76.32(15) 2_565 2_565
O10 Co1 N4 103.68(16) . 2_565
O14 Co1 N4 91.04(17) . .
O14 Co1 N4 88.96(17) 2_565 .
O10 Co1 N4 103.68(16) 2_565 .
O10 Co1 N4 76.32(15) . .
N4 Co1 N4 180.0(2) 2_565 .
O8 Tb1 O4 83.28(16) 1_655 1_655
O8 Tb1 O9 152.87(15) 1_655 2_655
O4 Tb1 O9 89.86(16) 1_655 2_655
O8 Tb1 O11 113.83(14) 1_655 .
O4 Tb1 O11 147.40(15) 1_655 .
O9 Tb1 O11 85.55(14) 2_655 .
O8 Tb1 O2 69.81(14) 1_655 .
O4 Tb1 O2 88.54(14) 1_655 .
O9 Tb1 O2 136.44(14) 2_655 .
O11 Tb1 O2 73.28(13) . .
O8 Tb1 O13 78.71(14) 1_655 1_655
O4 Tb1 O13 77.53(14) 1_655 1_655
O9 Tb1 O13 74.17(13) 2_655 1_655
O11 Tb1 O13 131.29(12) . 1_655
O2 Tb1 O13 146.87(13) . 1_655
O8 Tb1 O13 76.70(13) 1_655 2_655
O4 Tb1 O13 145.14(15) 1_655 2_655
O9 Tb1 O13 95.10(13) 2_655 2_655
O11 Tb1 O13 67.46(12) . 2_655
O2 Tb1 O13 110.29(13) . 2_655
O13 Tb1 O13 70.80(13) 1_655 2_655
O8 Tb1 O12 132.13(14) 1_655 .
O4 Tb1 O12 76.19(16) 1_655 .
O9 Tb1 O12 70.46(14) 2_655 .
O11 Tb1 O12 71.85(13) . .
O2 Tb1 O12 66.93(14) . .
O13 Tb1 O12 135.45(13) 1_655 .
O13 Tb1 O12 137.73(13) 2_655 .
O8 Tb1 Tb2 84.60(11) 1_655 .
O4 Tb1 Tb2 130.52(11) 1_655 .
O9 Tb1 Tb2 118.91(11) 2_655 .
O11 Tb1 Tb2 34.69(8) . .
O2 Tb1 Tb2 42.48(9) . .
O13 Tb1 Tb2 145.36(8) 1_655 .
O13 Tb1 Tb2 75.94(8) 2_655 .
O12 Tb1 Tb2 77.28(10) . .
O8 Tb1 Tb2 104.91(11) 1_655 2_655
O4 Tb1 Tb2 169.23(11) 1_655 2_655
O9 Tb1 Tb2 79.67(10) 2_655 2_655
O11 Tb1 Tb2 35.04(8) . 2_655
O2 Tb1 Tb2 100.76(9) . 2_655
O13 Tb1 Tb2 96.99(8) 1_655 2_655
O13 Tb1 Tb2 35.41(8) 2_655 2_655
O12 Tb1 Tb2 102.34(10) . 2_655
Tb2 Tb1 Tb2 58.33(2) . 2_655
O8 Tb1 Tb1 74.85(10) 1_655 2_755
O4 Tb1 Tb1 111.91(12) 1_655 2_755
O9 Tb1 Tb1 83.57(10) 2_655 2_755
O11 Tb1 Tb1 99.64(9) . 2_755
O2 Tb1 Tb1 136.50(10) . 2_755
O13 Tb1 Tb1 35.55(8) 1_655 2_755
O13 Tb1 Tb1 35.25(8) 2_655 2_755
O12 Tb1 Tb1 153.01(10) . 2_755
Tb2 Tb1 Tb1 110.69(2) . 2_755
Tb2 Tb1 Tb1 64.700(18) 2_655 2_755
O7 Tb2 O5 78.07(14) . .
O7 Tb2 O11 160.56(15) . .
O5 Tb2 O11 93.74(13) . .
O7 Tb2 O3 117.64(16) . .
O5 Tb2 O3 143.86(13) . .
O11 Tb2 O3 79.24(13) . .
O7 Tb2 O13 81.80(13) . .
O5 Tb2 O13 136.64(13) . .
O11 Tb2 O13 92.77(12) . .
O3 Tb2 O13 79.41(13) . .
O7 Tb2 O11 86.98(15) . 2_655
O5 Tb2 O11 72.95(13) . 2_655
O11 Tb2 O11 73.71(13) . 2_655
O3 Tb2 O11 135.86(13) . 2_655
O13 Tb2 O11 67.96(12) . 2_655
O7 Tb2 O1 76.33(15) . .
O5 Tb2 O1 77.44(14) . .
O11 Tb2 O1 119.47(12) . .
O3 Tb2 O1 75.61(14) . .
O13 Tb2 O1 133.66(13) . .
O11 Tb2 O1 148.44(13) 2_655 .
O7 Tb2 O2 123.57(13) . .
O5 Tb2 O2 72.57(13) . .
O11 Tb2 O2 69.00(11) . .
O3 Tb2 O2 71.84(13) . .
O13 Tb2 O2 148.16(12) . .
O11 Tb2 O2 126.39(12) 2_655 .
O1 Tb2 O2 51.05(12) . .
O7 Tb2 C1 98.20(15) . .
O5 Tb2 C1 69.18(15) . .
O11 Tb2 C1 95.20(13) . .
O3 Tb2 C1 76.16(15) . .
O13 Tb2 C1 152.34(14) . .
O11 Tb2 C1 139.67(14) 2_655 .
O1 Tb2 C1 25.50(13) . .
O2 Tb2 C1 26.21(13) . .
O7 Tb2 Tb2 123.38(13) . 2_655
O5 Tb2 Tb2 81.69(10) . 2_655
O11 Tb2 Tb2 37.28(8) . 2_655
O3 Tb2 Tb2 109.72(10) . 2_655
O13 Tb2 Tb2 78.06(9) . 2_655
O11 Tb2 Tb2 36.43(8) 2_655 2_655
O1 Tb2 Tb2 147.36(9) . 2_655
O2 Tb2 Tb2 98.78(8) . 2_655
C1 Tb2 Tb2 122.49(10) . 2_655
O7 Tb2 Tb1 147.56(10) . .
O5 Tb2 Tb1 70.81(9) . .
O11 Tb2 Tb1 35.18(8) . .
O3 Tb2 Tb1 84.57(10) . .
O13 Tb2 Tb1 127.76(9) . .
O11 Tb2 Tb1 92.41(9) 2_655 .
O1 Tb2 Tb1 87.98(9) . .
O2 Tb2 Tb1 37.45(8) . .
C1 Tb2 Tb1 62.53(10) . .
Tb2 Tb2 Tb1 61.37(3) 2_655 .
O7 Tb2 Tb1 72.43(11) . 2_655
O5 Tb2 Tb1 100.66(10) . 2_655
O11 Tb2 Tb1 92.15(8) . 2_655
O3 Tb2 Tb1 114.89(10) . 2_655
O13 Tb2 Tb1 36.24(9) . 2_655
O11 Tb2 Tb1 34.74(8) 2_655 2_655
O1 Tb2 Tb1 148.35(9) . 2_655
O2 Tb2 Tb1 159.02(8) . 2_655
C1 Tb2 Tb1 167.80(11) . 2_655
Tb2 Tb2 Tb1 60.30(2) 2_655 2_655
Tb1 Tb2 Tb1 121.67(2) . 2_655
C10 N1 C9 116.8(5) . .
C20 N2 C19 116.1(6) . .
C30 N3 C29 118.2(5) . .
C40 N4 C39 118.1(4) . .
C40 N4 Co1 111.6(3) . .
C39 N4 Co1 130.3(4) . .
C1 O1 Tb2 97.4(3) . .
C1 O2 Tb1 157.7(4) . .
C1 O2 Tb2 88.0(3) . .
Tb1 O2 Tb2 100.07(13) . .
C11 O3 Tb2 118.9(4) . .
C11 O4 Tb1 149.2(4) . 1_455
C21 O5 Tb2 132.1(3) . .
C31 O7 Tb2 136.7(4) . .
C31 O8 Tb1 145.4(4) . 1_455
C41 O9 Tb1 157.0(4) . 2_655
C41 O10 Co1 113.3(3) . .
Tb2 O11 Tb1 110.14(14) . .
Tb2 O11 Tb2 106.29(13) . 2_655
Tb1 O11 Tb2 110.22(14) . 2_655
Tb2 O11 H111 105.2 . .
Tb1 O11 H111 117.3 . .
Tb2 O11 H111 107.1 2_655 .
Tb1 O12 H121 112.2 . .
Tb1 O12 H122 105.4 . .
H121 O12 H122 110.2 . .
Tb2 O13 Tb1 122.33(14) . 1_455
Tb2 O13 Tb1 108.36(14) . 2_655
Tb1 O13 Tb1 109.20(13) 1_455 2_655
Tb2 O13 H131 102.4 . .
Tb1 O13 H131 104.7 1_455 .
Tb1 O13 H131 109.0 2_655 .
Co1 O14 H141 122.9 . .
Co1 O14 H142 126.8 . .
H141 O14 H142 110.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 O1 1.261(7) .
C1 O2 1.284(6) .
C1 C2 1.479(8) .
C1 Tb2 2.906(5) .
C2 C3 1.362(8) .
C2 C10 1.428(8) .
C3 C4 1.414(8) .
C3 H3 0.9300 .
C4 C9 1.414(9) .
C4 C5 1.418(9) .
C5 C6 1.368(10) .
C5 H5 0.9300 .
C6 C7 1.403(12) .
C6 H6 0.9300 .
C7 C8 1.364(11) .
C7 H7 0.9300 .
C8 C9 1.416(9) .
C8 H8 0.9300 .
C9 N1 1.384(9) .
C10 N1 1.323(8) .
C10 H10 0.9300 .
C11 O3 1.255(7) .
C11 O4 1.260(7) .
C11 C12 1.480(7) .
C12 C13 1.359(9) .
C12 C20 1.415(8) .
C13 C14 1.417(8) .
C13 H13 0.9300 .
C14 C15 1.415(11) .
C14 C19 1.420(11) .
C15 C16 1.386(12) .
C15 H15 0.9300 .
C16 C17 1.379(14) .
C16 H16 0.9300 .
C17 C18 1.359(14) .
C17 H17 0.9300 .
C18 C19 1.430(10) .
C18 H18 0.9300 .
C19 N2 1.365(11) .
C20 N2 1.318(8) .
C20 H20 0.9300 .
C21 O6 1.237(7) .
C21 O5 1.270(7) .
C21 C22 1.509(8) .
C22 C23 1.374(9) .
C22 C30 1.421(8) .
C23 C24 1.402(8) .
C23 H23 0.9300 .
C24 C29 1.416(8) .
C24 C25 1.421(9) .
C25 C26 1.359(9) .
C25 H25 0.9300 .
C26 C27 1.403(11) .
C26 H26 0.9300 .
C27 C28 1.367(11) .
C27 H27 0.9300 .
C28 C29 1.410(8) .
C28 H28 0.9300 .
C29 N3 1.380(8) .
C30 N3 1.297(8) .
C30 H30 0.9300 .
C31 O8 1.248(7) .
C31 O7 1.258(6) .
C31 C32 1.497(7) .
C32 C33 1.386(7) .
C32 C40 1.410(7) .
C33 C34 1.396(7) .
C33 H33 0.9300 .
C34 C39 1.425(7) .
C34 C35 1.430(7) .
C35 C36 1.355(9) .
C35 H35 0.9300 .
C36 C37 1.416(9) .
C36 H36 0.9300 .
C37 C38 1.355(8) .
C37 H37 0.9300 .
C38 C39 1.401(7) .
C38 H38 0.9300 .
C39 N4 1.375(6) .
C40 N4 1.324(7) .
C40 C41 1.512(7) .
C41 O9 1.252(6) .
C41 O10 1.253(6) .
Co1 O14 2.064(4) .
Co1 O14 2.064(4) 2_565
Co1 O10 2.125(4) 2_565
Co1 O10 2.125(4) .
Co1 N4 2.214(4) 2_565
Co1 N4 2.214(4) .
Tb1 O8 2.305(4) 1_655
Tb1 O4 2.328(4) 1_655
Tb1 O9 2.334(4) 2_655
Tb1 O11 2.372(3) .
Tb1 O2 2.388(4) .
Tb1 O13 2.415(3) 1_655
Tb1 O13 2.433(3) 2_655
Tb1 O12 2.594(4) .
Tb1 Tb2 3.8659(10) .
Tb1 Tb2 3.9062(13) 2_655
Tb1 Tb1 3.9519(11) 2_755
Tb2 O7 2.297(4) .
Tb2 O5 2.308(4) .
Tb2 O11 2.343(3) .
Tb2 O3 2.375(4) .
Tb2 O13 2.385(4) .
Tb2 O11 2.390(3) 2_655
Tb2 O1 2.461(4) .
Tb2 O2 2.652(4) .
Tb2 Tb2 3.7874(13) 2_655
Tb2 Tb1 3.9062(13) 2_655
O4 Tb1 2.328(4) 1_455
O8 Tb1 2.305(4) 1_455
O9 Tb1 2.334(4) 2_655
O11 Tb2 2.390(3) 2_655
O11 H111 0.8508 .
O12 H121 0.8496 .
O12 H122 0.8499 .
O13 Tb1 2.415(3) 1_455
O13 Tb1 2.433(3) 2_655
O13 H131 0.8498 .
O14 H141 0.8504 .
O14 H142 0.8512 .
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
O11 H111 O6 0.85 2.12 2.949(6) 164.3 2_655
O12 H121 O10 0.85 2.25 3.030(6) 152.5 2_655
O13 H131 O9 0.85 2.48 2.865(5) 108.7 2
O13 H131 O8 0.85 2.71 2.941(5) 97.3 2
O14 H141 N3 0.85 1.92 2.743(7) 161.7 .
O14 H142 O6 0.85 1.90 2.754(7) 177.3 2_665
