#------------------------------------------------------------------------------
#$Date: 2017-03-04 04:15:43 +0200 (Sat, 04 Mar 2017) $
#$Revision: 192995 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/54/4345472.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_4345472
loop_
_publ_author_name
'Feng, Xun'
'Feng, Yuquan'
'Guo, Nan'
'Sun, Yiling'
'Zhang, Tian'
'Ma, Lufang'
'Wang, Liya'
_publ_section_title
;
 Series d-f Heteronuclear Metal-Organic Frameworks: Color Tunability and
 Luminescent Probe with Switchable Properties.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1713
_journal_page_last               1721
_journal_paper_doi               10.1021/acs.inorgchem.6b02851
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'C62 H37 N18 O43 Tb3 Zn6'
_chemical_formula_weight         2591.08
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.0539(17)
_cell_length_b                   33.204(4)
_cell_length_c                   17.1178(18)
_cell_measurement_reflns_used    5860
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0.473
_cell_measurement_theta_min      0.385
_cell_volume                     9124.7(18)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.1292
_diffrn_reflns_av_sigmaI/netI    0.0960
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            44703
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.34
_exptl_absorpt_coefficient_mu    3.939
_exptl_absorpt_correction_T_max  0.5216
_exptl_absorpt_correction_T_min  0.4274
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.886
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5016
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.650
_refine_diff_density_min         -0.967
_refine_diff_density_rms         0.199
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.180
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     589
_refine_ls_number_reflns         8181
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.180
_refine_ls_R_factor_all          0.1163
_refine_ls_R_factor_gt           0.0627
_refine_ls_shift/su_max          0.022
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0679P)²+1.8965P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1502
_refine_ls_wR_factor_ref         0.1741
_reflns_number_gt                4816
_reflns_number_total             8181
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b02851_si_003.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to 'constr'
according to
/home/data/users/saulius/crontab/automatic-downloads/current/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 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_cell_volume        9124.7(17)
_cod_original_sg_symbol_H-M      Pnma
_cod_database_code               4345472
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -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
Tb1 Tb 0.88974(6) 0.2500 0.14667(5) 0.0466(3) Uani 1 2 d S
Tb2 Tb 0.51695(4) 0.055480(17) 0.94707(3) 0.03523(18) Uani 1 1 d .
Zn1 Zn 0.72371(9) 0.16036(4) 0.43238(8) 0.0451(4) Uani 1 1 d .
Zn2 Zn 0.43365(11) 0.16925(5) 0.67667(8) 0.0581(5) Uani 1 1 d .
Zn3 Zn 0.23713(9) 0.00931(4) 0.71333(7) 0.0467(4) Uani 1 1 d .
O1 O 0.8449(8) 0.2052(3) 0.2341(6) 0.103(4) Uani 1 1 d .
O2 O 0.8026(7) 0.1627(3) 0.3224(6) 0.088(3) Uani 1 1 d .
O3 O 0.6252(6) 0.1776(3) 0.3526(4) 0.054(2) Uani 1 1 d .
O4 O 0.5006(6) 0.2067(3) 0.3494(4) 0.065(3) Uani 1 1 d .
O5 O 0.3616(6) 0.1898(3) 0.5816(6) 0.074(3) Uani 1 1 d .
O6 O 0.3693(6) 0.2065(3) 0.4586(5) 0.077(3) Uani 1 1 d .
O7 O 0.5360(5) 0.0899(2) 0.8350(4) 0.046(2) Uani 1 1 d .
O8 O 0.5134(5) 0.1447(3) 0.7651(5) 0.062(3) Uani 1 1 d .
O9 O 0.4402(5) 0.0172(2) 0.8580(4) 0.043(2) Uani 1 1 d .
O10 O 0.3274(5) -0.0048(2) 0.8002(4) 0.054(2) Uani 1 1 d .
O11 O 0.1418(5) 0.0204(2) 0.6154(4) 0.046(2) Uani 1 1 d .
O12 O 0.0682(4) -0.0146(2) 0.5317(4) 0.0372(18) Uani 1 1 d .
O13 O 0.1055(6) -0.0884(3) 0.4525(5) 0.068(3) Uani 1 1 d .
O14 O 0.1850(5) -0.1404(3) 0.4837(5) 0.056(2) Uani 1 1 d .
O1W O 0.7378(9) 0.2500 0.1272(9) 0.107(6) Uani 1 2 d S
O2W O 0.5668(8) 0.1206(3) 0.9828(5) 0.098(4) Uani 1 1 d .
O3W O 0.5997(8) 0.0529(3) 1.0606(5) 0.090(4) Uani 1 1 d .
O4W O 0.4041(10) 0.2168(4) 0.7436(8) 0.156(6) Uani 1 1 d .
N1 N 0.7711(8) 0.2172(4) 0.4284(6) 0.064(3) Uani 1 1 d .
N2 N 0.6241(6) 0.1692(3) 0.5078(5) 0.050(3) Uani 1 1 d .
N3 N 0.5223(7) 0.1754(3) 0.5945(6) 0.051(3) Uani 1 1 d .
N4 N 0.3749(6) 0.1167(3) 0.6986(5) 0.044(3) Uani 1 1 d .
N5 N 0.3053(6) 0.0598(3) 0.7109(5) 0.041(2) Uani 1 1 d .
N6 N 0.2488(6) -0.0392(3) 0.6469(5) 0.043(2) Uani 1 1 d .
N7 N 0.2683(6) -0.0990(3) 0.5911(5) 0.046(3) Uani 1 1 d .
C1 C 0.8184(10) 0.1975(4) 0.3012(10) 0.070(4) Uani 1 1 d .
C2 C 0.7981(9) 0.2286(4) 0.3622(8) 0.062(4) Uani 1 1 d .
C3 C 0.7550(16) 0.2500 0.4693(14) 0.081(7) Uani 1 2 d S
C4 C 0.725(2) 0.2500 0.5526(12) 0.122(11) Uani 1 2 d S
H4A H 0.7139 0.2772 0.5688 0.184 Uiso 0.50 1 calc PR
H4B H 0.7670 0.2385 0.5857 0.184 Uiso 0.50 1 calc PR
H4C H 0.6749 0.2343 0.5564 0.184 Uiso 0.50 1 calc PR
C5 C 0.5589(9) 0.1911(4) 0.3849(7) 0.047(3) Uani 1 1 d .
C6 C 0.5540(8) 0.1835(4) 0.4701(6) 0.045(3) Uani 1 1 d .
C7 C 0.4919(8) 0.1872(4) 0.5229(7) 0.044(3) Uani 1 1 d .
C8 C 0.4012(9) 0.1957(4) 0.5186(8) 0.063(4) Uani 1 1 d .
C9 C 0.6033(8) 0.1658(4) 0.5823(7) 0.051(3) Uani 1 1 d .
C10 C 0.6635(8) 0.1546(5) 0.6466(7) 0.077(5) Uani 1 1 d .
H10A H 0.6364 0.1371 0.6831 0.116 Uiso 1 1 calc R
H10B H 0.6816 0.1786 0.6731 0.116 Uiso 1 1 calc R
H10C H 0.7109 0.1412 0.6245 0.116 Uiso 1 1 calc R
C11 C 0.4932(8) 0.1102(4) 0.7878(6) 0.044(3) Uani 1 1 d .
C12 C 0.4160(7) 0.0937(4) 0.7543(6) 0.040(3) Uani 1 1 d .
C13 C 0.3734(7) 0.0585(4) 0.7613(6) 0.041(3) Uani 1 1 d .
C14 C 0.3818(8) 0.0216(4) 0.8107(6) 0.038(3) Uani 1 1 d .
C15 C 0.3096(8) 0.0951(4) 0.6770(6) 0.044(3) Uani 1 1 d .
C16 C 0.2484(9) 0.1102(4) 0.6217(7) 0.068(4) Uani 1 1 d .
H16A H 0.2025 0.1218 0.6496 0.101 Uiso 1 1 calc R
H16B H 0.2288 0.0885 0.5897 0.101 Uiso 1 1 calc R
H16C H 0.2737 0.1304 0.5891 0.101 Uiso 1 1 calc R
C17 C 0.1290(7) -0.0119(4) 0.5766(6) 0.038(3) Uani 1 1 d .
C18 C 0.1903(7) -0.0434(4) 0.5867(6) 0.040(3) Uani 1 1 d .
C19 C 0.2033(7) -0.0814(4) 0.5542(6) 0.040(3) Uani 1 1 d .
C20 C 0.1612(8) -0.1051(4) 0.4940(6) 0.045(3) Uani 1 1 d .
C21 C 0.2918(8) -0.0732(4) 0.6473(7) 0.050(3) Uani 1 1 d .
C22 C 0.3641(9) -0.0816(5) 0.7008(8) 0.073(4) Uani 1 1 d .
H22A H 0.3651 -0.0619 0.7419 0.110 Uiso 1 1 calc R
H22B H 0.4151 -0.0802 0.6717 0.110 Uiso 1 1 calc R
H22C H 0.3582 -0.1080 0.7229 0.110 Uiso 1 1 calc R
N8 N 0.1461(5) 0.0187(2) 0.7948(4) 0.049(3) Uani 1 1 d G
C23 C 0.1651(5) 0.0478(3) 0.8504(5) 0.076(5) Uani 1 1 d G
H23 H 0.2171 0.0601 0.8503 0.091 Uiso 1 1 calc R
C24 C 0.1062(6) 0.0586(3) 0.9061(5) 0.089(5) Uani 1 1 d G
H24 H 0.1189 0.0780 0.9433 0.107 Uiso 1 1 calc R
C25 C 0.0284(5) 0.0402(3) 0.9063(4) 0.059(4) Uani 1 1 d G
C26 C 0.0094(4) 0.0111(3) 0.8507(5) 0.061(4) Uani 1 1 d G
H26 H -0.0427 -0.0012 0.8508 0.074 Uiso 1 1 calc R
C27 C 0.0683(5) 0.0003(2) 0.7950(4) 0.064(4) Uani 1 1 d G
H27 H 0.0556 -0.0191 0.7578 0.077 Uiso 1 1 calc R
N9 N -0.1547(7) 0.0762(4) 1.0756(5) 0.094(4) Uani 1 1 d G
C28 C -0.0801(8) 0.0971(3) 1.0684(6) 0.097(6) Uani 1 1 d G
H28 H -0.0696 0.1193 1.1002 0.116 Uiso 1 1 calc R
C29 C -0.0212(6) 0.0850(3) 1.0137(6) 0.090(5) Uani 1 1 d G
H29 H 0.0287 0.0990 1.0089 0.108 Uiso 1 1 calc R
C30 C -0.0370(6) 0.0519(3) 0.9663(5) 0.063(4) Uani 1 1 d G
C31 C -0.1115(7) 0.0309(3) 0.9735(5) 0.075(5) Uani 1 1 d G
H31 H -0.1221 0.0088 0.9417 0.090 Uiso 1 1 calc R
C32 C -0.1704(6) 0.0431(3) 1.0281(6) 0.089(5) Uani 1 1 d G
H32 H -0.2203 0.0291 1.0329 0.107 Uiso 1 1 calc R
O9W O 0.6947(10) 0.1195(5) 1.1114(10) 0.177(7) Uani 1 1 d .
O8W O 0.6359(15) 0.1881(6) 0.1944(9) 0.217(9) Uani 1 1 d .
O7W O 0.5628(12) 0.1932(6) 0.9444(15) 0.079(7) Uani 0.50 1 d P
O6W O 0.5853(18) 0.1871(7) 0.8767(14) 0.106(10) Uani 0.50 1 d P
O5W O 0.0754(15) -0.1962(7) 0.4177(13) 0.254(11) 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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 Tb1 O1 83.8(5) 7_565 .
O1 Tb1 O4 79.1(4) 7_565 4
O1 Tb1 O4 130.6(4) . 4
O1 Tb1 O4 130.6(4) 7_565 6_656
O1 Tb1 O4 79.1(4) . 6_656
O4 Tb1 O4 77.9(5) 4 6_656
O1 Tb1 O6 93.4(4) 7_565 4
O1 Tb1 O6 152.4(4) . 4
O4 Tb1 O6 75.1(3) 4 4
O4 Tb1 O6 121.4(3) 6_656 4
O1 Tb1 O6 152.4(4) 7_565 6_656
O1 Tb1 O6 93.4(4) . 6_656
O4 Tb1 O6 121.4(3) 4 6_656
O4 Tb1 O6 75.1(3) 6_656 6_656
O6 Tb1 O6 76.6(5) 4 6_656
O1 Tb1 O1W 76.8(4) 7_565 .
O1 Tb1 O1W 76.8(4) . .
O4 Tb1 O1W 140.7(3) 4 .
O4 Tb1 O1W 140.7(3) 6_656 .
O6 Tb1 O1W 75.9(4) 4 .
O6 Tb1 O1W 75.9(4) 6_656 .
O13 Tb2 O7 84.7(3) 2 .
O13 Tb2 O9 80.2(3) 2 .
O7 Tb2 O9 78.0(3) . .
O13 Tb2 O3W 118.4(4) 2 .
O7 Tb2 O3W 130.1(3) . .
O9 Tb2 O3W 144.7(3) . .
O13 Tb2 O2W 80.9(4) 2 .
O7 Tb2 O2W 73.3(3) . .
O9 Tb2 O2W 146.9(3) . .
O3W Tb2 O2W 68.4(3) . .
O13 Tb2 O12 75.7(3) 2 2
O7 Tb2 O12 150.9(3) . 2
O9 Tb2 O12 77.7(3) . 2
O3W Tb2 O12 78.7(3) . 2
O2W Tb2 O12 123.1(3) . 2
O13 Tb2 O12 137.3(3) 2 6_657
O7 Tb2 O12 123.5(3) . 6_657
O9 Tb2 O12 76.2(2) . 6_657
O3W Tb2 O12 70.1(3) . 6_657
O2W Tb2 O12 134.2(3) . 6_657
O12 Tb2 O12 64.8(3) 2 6_657
O13 Tb2 O11 157.6(3) 2 6_657
O7 Tb2 O11 76.6(3) . 6_657
O9 Tb2 O11 83.9(3) . 6_657
O3W Tb2 O11 83.5(4) . 6_657
O2W Tb2 O11 104.9(4) . 6_657
O12 Tb2 O11 116.1(2) 2 6_657
O12 Tb2 O11 51.4(2) 6_657 6_657
O13 Tb2 C17 157.2(4) 2 6_657
O7 Tb2 C17 100.8(3) . 6_657
O9 Tb2 C17 79.4(3) . 6_657
O3W Tb2 C17 74.8(3) . 6_657
O2W Tb2 C17 121.8(4) . 6_657
O12 Tb2 C17 90.1(3) 2 6_657
O12 Tb2 C17 25.3(3) 6_657 6_657
O11 Tb2 C17 26.2(3) 6_657 6_657
N1 Zn1 N2 100.2(4) . .
N1 Zn1 N7 151.4(4) . 5_656
N2 Zn1 N7 107.9(4) . 5_656
N1 Zn1 O14 93.1(4) . 5_656
N2 Zn1 O14 98.8(3) . 5_656
N7 Zn1 O14 77.6(3) 5_656 5_656
N1 Zn1 O3 90.4(4) . .
N2 Zn1 O3 78.0(3) . .
N7 Zn1 O3 100.5(3) 5_656 .
O14 Zn1 O3 175.7(3) 5_656 .
N1 Zn1 O2 74.5(4) . .
N2 Zn1 O2 160.1(4) . .
N7 Zn1 O2 80.7(4) 5_656 .
O14 Zn1 O2 100.6(4) 5_656 .
O3 Zn1 O2 82.8(4) . .
O4W Zn2 N3 119.1(6) . .
O4W Zn2 N4 117.6(6) . .
N3 Zn2 N4 123.2(4) . .
O4W Zn2 O5 93.2(5) . .
N3 Zn2 O5 79.4(4) . .
N4 Zn2 O5 99.6(4) . .
O4W Zn2 O8 92.1(5) . .
N3 Zn2 O8 96.3(4) . .
N4 Zn2 O8 79.6(4) . .
O5 Zn2 O8 174.3(4) . .
N6 Zn3 N5 128.1(4) . .
N6 Zn3 N8 125.7(4) . .
N5 Zn3 N8 106.1(4) . .
N6 Zn3 O10 99.1(4) . .
N5 Zn3 O10 80.0(3) . .
N8 Zn3 O10 92.5(3) . .
N6 Zn3 O11 77.0(3) . .
N5 Zn3 O11 102.4(3) . .
N8 Zn3 O11 89.9(3) . .
O10 Zn3 O11 176.1(3) . .
C1 O1 Tb1 149.5(11) . .
C1 O2 Zn1 113.0(10) . .
C5 O3 Zn1 115.2(7) . .
C5 O4 Tb1 147.2(8) . 6_556
C8 O5 Zn2 115.6(9) . .
C8 O6 Tb1 141.7(10) . 6_556
C11 O7 Tb2 138.2(7) . .
C11 O8 Zn2 114.3(8) . .
C14 O9 Tb2 139.3(7) . .
C14 O10 Zn3 115.0(7) . .
C17 O11 Zn3 110.6(7) . .
C17 O11 Tb2 92.3(6) . 6_557
Zn3 O11 Tb2 154.3(3) . 6_557
C17 O12 Tb2 148.9(7) . 2_554
C17 O12 Tb2 95.8(7) . 6_557
Tb2 O12 Tb2 115.2(3) 2_554 6_557
C20 O13 Tb2 148.2(8) . 2_554
C20 O14 Zn1 113.8(8) . 5_656
C2 N1 C3 107.1(14) . .
C2 N1 Zn1 115.6(10) . .
C3 N1 Zn1 132.4(11) . .
C9 N2 C6 106.0(10) . .
C9 N2 Zn1 141.4(9) . .
C6 N2 Zn1 112.6(7) . .
C9 N3 C7 105.6(10) . .
C9 N3 Zn2 139.8(8) . .
C7 N3 Zn2 113.6(8) . .
C15 N4 C12 105.8(10) . .
C15 N4 Zn2 141.8(8) . .
C12 N4 Zn2 112.4(8) . .
C15 N5 C13 105.1(10) . .
C15 N5 Zn3 142.0(8) . .
C13 N5 Zn3 112.9(8) . .
C21 N6 C18 105.7(9) . .
C21 N6 Zn3 137.7(8) . .
C18 N6 Zn3 116.0(7) . .
C21 N7 C19 105.9(10) . .
C21 N7 Zn1 138.3(8) . 5_656
C19 N7 Zn1 112.4(8) . 5_656
O2 C1 O1 122.0(14) . .
O2 C1 C2 113.1(14) . .
O1 C1 C2 124.8(14) . .
N1 C2 C2 107.3(8) . 7_565
N1 C2 C1 119.3(13) . .
C2 C2 C1 133.3(8) 7_565 .
N1 C3 N1 111.2(19) 7_565 .
N1 C3 C4 124.4(9) 7_565 .
N1 C3 C4 124.4(9) . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
O4 C5 O3 124.4(11) . .
O4 C5 C6 121.2(12) . .
O3 C5 C6 114.2(11) . .
C7 C6 N2 108.6(10) . .
C7 C6 C5 133.0(12) . .
N2 C6 C5 118.4(11) . .
C6 C7 N3 108.0(11) . .
C6 C7 C8 135.0(11) . .
N3 C7 C8 116.5(11) . .
O6 C8 O5 124.1(14) . .
O6 C8 C7 121.0(13) . .
O5 C8 C7 114.9(11) . .
N2 C9 N3 111.8(10) . .
N2 C9 C10 124.2(12) . .
N3 C9 C10 124.0(11) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O8 C11 O7 123.3(11) . .
O8 C11 C12 116.0(11) . .
O7 C11 C12 120.7(11) . .
C13 C12 N4 107.1(10) . .
C13 C12 C11 135.2(11) . .
N4 C12 C11 117.6(11) . .
C12 C13 N5 108.3(10) . .
C12 C13 C14 135.1(11) . .
N5 C13 C14 116.6(11) . .
O9 C14 O10 122.6(11) . .
O9 C14 C13 122.0(11) . .
O10 C14 C13 115.4(10) . .
N5 C15 N4 113.8(10) . .
N5 C15 C16 124.2(12) . .
N4 C15 C16 122.1(12) . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
O12 C17 O11 120.4(10) . .
O12 C17 C18 123.8(10) . .
O11 C17 C18 115.7(10) . .
O12 C17 Tb2 58.9(6) . 6_557
O11 C17 Tb2 61.6(6) . 6_557
C18 C17 Tb2 175.4(9) . 6_557
C19 C18 N6 106.3(10) . .
C19 C18 C17 135.1(11) . .
N6 C18 C17 118.3(10) . .
N7 C19 C18 108.8(10) . .
N7 C19 C20 116.9(11) . .
C18 C19 C20 134.3(11) . .
O14 C20 O13 123.2(11) . .
O14 C20 C19 117.7(11) . .
O13 C20 C19 119.0(12) . .
N6 C21 N7 113.3(10) . .
N6 C21 C22 124.3(12) . .
N7 C21 C22 122.3(12) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C23 N8 C27 120.0 . .
C23 N8 Zn3 114.6(5) . .
C27 N8 Zn3 125.2(5) . .
C24 C23 N8 120.0 . .
C24 C23 H23 120.0 . .
N8 C23 H23 120.0 . .
C25 C24 C23 120.0 . .
C25 C24 H24 120.0 . .
C23 C24 H24 120.0 . .
C26 C25 C24 120.0 . .
C26 C25 C30 119.3(8) . .
C24 C25 C30 120.7(8) . .
C25 C26 C27 120.0 . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C26 C27 N8 120.0 . .
C26 C27 H27 120.0 . .
N8 C27 H27 120.0 . .
C28 N9 C32 120.0 . .
N9 C28 C29 120.0 . .
N9 C28 H28 120.0 . .
C29 C28 H28 120.0 . .
C30 C29 C28 120.0 . .
C30 C29 H29 120.0 . .
C28 C29 H29 120.0 . .
C29 C30 C31 120.0 . .
C29 C30 C25 118.1(9) . .
C31 C30 C25 121.9(9) . .
C30 C31 C32 120.0 . .
C30 C31 H31 120.0 . .
C32 C31 H31 120.0 . .
C31 C32 N9 120.0 . .
C31 C32 H32 120.0 . .
N9 C32 H32 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O1 2.230(10) 7_565
Tb1 O1 2.230(10) .
Tb1 O4 2.290(9) 4
Tb1 O4 2.290(9) 6_656
Tb1 O6 2.332(9) 4
Tb1 O6 2.332(9) 6_656
Tb1 O1W 2.462(15) .
Tb2 O13 2.250(8) 2
Tb2 O7 2.253(7) .
Tb2 O9 2.335(7) .
Tb2 O3W 2.356(8) .
Tb2 O2W 2.384(9) .
Tb2 O12 2.410(7) 2
Tb2 O12 2.496(7) 6_657
Tb2 O11 2.552(7) 6_657
Tb2 C17 2.900(11) 6_657
Zn1 N1 2.037(12) .
Zn1 N2 2.077(10) .
Zn1 N7 2.080(10) 5_656
Zn1 O14 2.157(8) 5_656
Zn1 O3 2.167(8) .
Zn1 O2 2.270(10) .
Zn2 O4W 2.007(12) .
Zn2 N3 2.011(10) .
Zn2 N4 2.018(10) .
Zn2 O5 2.110(9) .
Zn2 O8 2.143(8) .
Zn3 N6 1.981(10) .
Zn3 N5 2.002(10) .
Zn3 N8 2.043(6) .
Zn3 O10 2.129(7) .
Zn3 O11 2.300(7) .
O1 C1 1.251(16) .
O2 C1 1.237(16) .
O3 C5 1.282(14) .
O4 C5 1.229(14) .
O4 Tb1 2.290(9) 6_556
O5 C8 1.265(15) .
O6 C8 1.203(14) .
O6 Tb1 2.332(9) 6_556
O7 C11 1.259(13) .
O8 C11 1.252(14) .
O9 C14 1.247(12) .
O10 C14 1.250(13) .
O11 C17 1.279(13) .
O11 Tb2 2.552(7) 6_557
O12 C17 1.244(12) .
O12 Tb2 2.410(7) 2_554
O12 Tb2 2.496(7) 6_557
O13 C20 1.271(14) .
O13 Tb2 2.250(8) 2_554
O14 C20 1.244(14) .
O14 Zn1 2.157(8) 5_656
N1 C2 1.271(15) .
N1 C3 1.319(15) .
N2 C9 1.323(14) .
N2 C6 1.381(14) .
N3 C9 1.355(15) .
N3 C7 1.376(14) .
N4 C15 1.323(14) .
N4 C12 1.388(13) .
N5 C15 1.311(14) .
N5 C13 1.393(13) .
N6 C21 1.323(15) .
N6 C18 1.401(13) .
N7 C21 1.342(14) .
N7 C19 1.354(13) .
N7 Zn1 2.080(10) 5_656
C1 C2 1.505(19) .
C2 C2 1.42(3) 7_565
C3 N1 1.319(15) 7_565
C3 C4 1.51(3) .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 C6 1.481(16) .
C6 C7 1.352(16) .
C7 C8 1.486(18) .
C9 C10 1.511(16) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.471(16) .
C12 C13 1.362(16) .
C13 C14 1.496(15) .
C15 C16 1.453(16) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C18 1.445(15) .
C17 Tb2 2.900(11) 6_557
C18 C19 1.395(16) .
C19 C20 1.462(15) .
C21 C22 1.504(16) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
N8 C23 1.3900 .
N8 C27 1.3900 .
C23 C24 1.3900 .
C23 H23 0.9300 .
C24 C25 1.3900 .
C24 H24 0.9300 .
C25 C26 1.3900 .
C25 C30 1.517(9) .
C26 C27 1.3900 .
C26 H26 0.9300 .
C27 H27 0.9300 .
N9 C28 1.3900 .
N9 C32 1.3900 .
C28 C29 1.3900 .
C28 H28 0.9300 .
C29 C30 1.3900 .
C29 H29 0.9300 .
C30 C31 1.3900 .
C31 C32 1.3900 .
C31 H31 0.9300 .
C32 H32 0.9300 .
O7W O6W 1.23(3) .
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
O1 Tb1 O1 C1 -10(3) 7_565 .
O4 Tb1 O1 C1 60(2) 4 .
O4 Tb1 O1 C1 123(2) 6_656 .
O6 Tb1 O1 C1 -96(3) 4 .
O6 Tb1 O1 C1 -163(2) 6_656 .
O1W Tb1 O1 C1 -88(2) . .
N1 Zn1 O2 C1 -17.3(12) . .
N2 Zn1 O2 C1 59.4(18) . .
N7 Zn1 O2 C1 177.0(12) 5_656 .
O14 Zn1 O2 C1 -107.5(12) 5_656 .
O3 Zn1 O2 C1 75.1(12) . .
N1 Zn1 O3 C5 -89.9(9) . .
N2 Zn1 O3 C5 10.4(9) . .
N7 Zn1 O3 C5 116.7(9) 5_656 .
O14 Zn1 O3 C5 54(5) 5_656 .
O2 Zn1 O3 C5 -164.2(9) . .
O4W Zn2 O5 C8 120.7(11) . .
N3 Zn2 O5 C8 1.7(10) . .
N4 Zn2 O5 C8 -120.6(10) . .
O8 Zn2 O5 C8 -39(4) . .
O13 Tb2 O7 C11 -14.6(12) 2 .
O9 Tb2 O7 C11 66.5(12) . .
O3W Tb2 O7 C11 -137.8(12) . .
O2W Tb2 O7 C11 -96.7(12) . .
O12 Tb2 O7 C11 32.7(15) 2 .
O12 Tb2 O7 C11 130.8(12) 6_657 .
O11 Tb2 O7 C11 152.9(12) 6_657 .
C17 Tb2 O7 C11 143.1(12) 6_657 .
O4W Zn2 O8 C11 120.7(10) . .
N3 Zn2 O8 C11 -119.7(9) . .
N4 Zn2 O8 C11 3.1(9) . .
O5 Zn2 O8 C11 -80(4) . .
O13 Tb2 O9 C14 30.0(11) 2 .
O7 Tb2 O9 C14 -56.6(11) . .
O3W Tb2 O9 C14 156.4(11) . .
O2W Tb2 O9 C14 -26.1(14) . .
O12 Tb2 O9 C14 107.4(11) 2 .
O12 Tb2 O9 C14 174.1(11) 6_657 .
O11 Tb2 O9 C14 -134.2(11) 6_657 .
C17 Tb2 O9 C14 -160.2(11) 6_657 .
N6 Zn3 O10 C14 125.4(8) . .
N5 Zn3 O10 C14 -1.8(8) . .
N8 Zn3 O10 C14 -107.8(8) . .
O11 Zn3 O10 C14 126(4) . .
N6 Zn3 O11 C17 13.7(7) . .
N5 Zn3 O11 C17 140.3(8) . .
N8 Zn3 O11 C17 -113.2(8) . .
O10 Zn3 O11 C17 13(5) . .
N6 Zn3 O11 Tb2 164.7(9) . 6_557
N5 Zn3 O11 Tb2 -68.6(9) . 6_557
N8 Zn3 O11 Tb2 37.9(9) . 6_557
O10 Zn3 O11 Tb2 164(4) . 6_557
N2 Zn1 N1 C2 -142.0(11) . .
N7 Zn1 N1 C2 49.1(15) 5_656 .
O14 Zn1 N1 C2 118.5(11) 5_656 .
O3 Zn1 N1 C2 -64.0(11) . .
O2 Zn1 N1 C2 18.4(11) . .
N2 Zn1 N1 C3 9.7(19) . .
N7 Zn1 N1 C3 -159.3(17) 5_656 .
O14 Zn1 N1 C3 -89.9(18) 5_656 .
O3 Zn1 N1 C3 87.6(18) . .
O2 Zn1 N1 C3 170.0(19) . .
N1 Zn1 N2 C9 -96.3(15) . .
N7 Zn1 N2 C9 78.2(15) 5_656 .
O14 Zn1 N2 C9 -1.6(15) 5_656 .
O3 Zn1 N2 C9 175.4(15) . .
O2 Zn1 N2 C9 -168.6(13) . .
N1 Zn1 N2 C6 83.8(9) . .
N7 Zn1 N2 C6 -101.7(8) 5_656 .
O14 Zn1 N2 C6 178.6(8) 5_656 .
O3 Zn1 N2 C6 -4.4(8) . .
O2 Zn1 N2 C6 11.5(17) . .
O4W Zn2 N3 C9 103.1(15) . .
N4 Zn2 N3 C9 -74.5(15) . .
O5 Zn2 N3 C9 -169.1(15) . .
O8 Zn2 N3 C9 7.1(15) . .
O4W Zn2 N3 C7 -90.4(10) . .
N4 Zn2 N3 C7 92.0(9) . .
O5 Zn2 N3 C7 -2.6(8) . .
O8 Zn2 N3 C7 173.6(8) . .
O4W Zn2 N4 C15 93.5(14) . .
N3 Zn2 N4 C15 -88.9(14) . .
O5 Zn2 N4 C15 -5.3(13) . .
O8 Zn2 N4 C15 -179.5(13) . .
O4W Zn2 N4 C12 -88.3(9) . .
N3 Zn2 N4 C12 89.3(8) . .
O5 Zn2 N4 C12 172.9(7) . .
O8 Zn2 N4 C12 -1.4(7) . .
N6 Zn3 N5 C15 88.1(14) . .
N8 Zn3 N5 C15 -88.4(13) . .
O10 Zn3 N5 C15 -178.1(13) . .
O11 Zn3 N5 C15 5.0(13) . .
N6 Zn3 N5 C13 -91.3(8) . .
N8 Zn3 N5 C13 92.2(7) . .
O10 Zn3 N5 C13 2.5(7) . .
O11 Zn3 N5 C13 -174.3(7) . .
N5 Zn3 N6 C21 87.1(14) . .
N8 Zn3 N6 C21 -97.0(13) . .
O10 Zn3 N6 C21 2.7(13) . .
O11 Zn3 N6 C21 -177.3(14) . .
N5 Zn3 N6 C18 -103.4(8) . .
N8 Zn3 N6 C18 72.5(9) . .
O10 Zn3 N6 C18 172.2(8) . .
O11 Zn3 N6 C18 -7.7(8) . .
Zn1 O2 C1 O1 -164.2(13) . .
Zn1 O2 C1 C2 12.8(17) . .
Tb1 O1 C1 O2 -178.3(15) . .
Tb1 O1 C1 C2 5(3) . .
C3 N1 C2 C2 -0.4(16) . 7_565
Zn1 N1 C2 C2 158.0(5) . 7_565
C3 N1 C2 C1 -177.3(17) . .
Zn1 N1 C2 C1 -18.9(18) . .
O2 C1 C2 N1 3(2) . .
O1 C1 C2 N1 179.7(16) . .
O2 C1 C2 C2 -173.3(9) . 7_565
O1 C1 C2 C2 4(2) . 7_565
C2 N1 C3 N1 1(3) . 7_565
Zn1 N1 C3 N1 -152.7(9) . 7_565
C2 N1 C3 C4 -177(2) . .
Zn1 N1 C3 C4 29(4) . .
Tb1 O4 C5 O3 -154.5(11) 6_556 .
Tb1 O4 C5 C6 30(2) 6_556 .
Zn1 O3 C5 O4 171.0(10) . .
Zn1 O3 C5 C6 -13.6(13) . .
C9 N2 C6 C7 -1.8(14) . .
Zn1 N2 C6 C7 178.1(8) . .
C9 N2 C6 C5 179.1(11) . .
Zn1 N2 C6 C5 -1.0(14) . .
O4 C5 C6 C7 7(2) . .
O3 C5 C6 C7 -168.8(13) . .
O4 C5 C6 N2 -174.4(12) . .
O3 C5 C6 N2 10.1(17) . .
N2 C6 C7 N3 0.2(14) . .
C5 C6 C7 N3 179.2(13) . .
N2 C6 C7 C8 -170.8(14) . .
C5 C6 C7 C8 8(3) . .
C9 N3 C7 C6 1.5(14) . .
Zn2 N3 C7 C6 -169.6(8) . .
C9 N3 C7 C8 174.3(12) . .
Zn2 N3 C7 C8 3.3(14) . .
Tb1 O6 C8 O5 138.3(13) 6_556 .
Tb1 O6 C8 C7 -43(2) 6_556 .
Zn2 O5 C8 O6 178.3(12) . .
Zn2 O5 C8 C7 -0.4(16) . .
C6 C7 C8 O6 -10(3) . .
N3 C7 C8 O6 179.4(13) . .
C6 C7 C8 O5 168.4(14) . .
N3 C7 C8 O5 -1.9(19) . .
C6 N2 C9 N3 2.8(15) . .
Zn1 N2 C9 N3 -177.1(10) . .
C6 N2 C9 C10 -174.4(13) . .
Zn1 N2 C9 C10 6(2) . .
C7 N3 C9 N2 -2.7(15) . .
Zn2 N3 C9 N2 164.5(10) . .
C7 N3 C9 C10 174.5(13) . .
Zn2 N3 C9 C10 -18(2) . .
Zn2 O8 C11 O7 174.6(9) . .
Zn2 O8 C11 C12 -3.9(13) . .
Tb2 O7 C11 O8 129.4(11) . .
Tb2 O7 C11 C12 -52.1(17) . .
C15 N4 C12 C13 1.8(12) . .
Zn2 N4 C12 C13 -177.0(7) . .
C15 N4 C12 C11 178.7(10) . .
Zn2 N4 C12 C11 -0.1(12) . .
O8 C11 C12 C13 178.6(12) . .
O7 C11 C12 C13 0(2) . .
O8 C11 C12 N4 2.9(15) . .
O7 C11 C12 N4 -175.7(10) . .
N4 C12 C13 N5 -0.8(12) . .
C11 C12 C13 N5 -176.9(11) . .
N4 C12 C13 C14 -178.2(11) . .
C11 C12 C13 C14 6(2) . .
C15 N5 C13 C12 -0.5(12) . .
Zn3 N5 C13 C12 179.1(7) . .
C15 N5 C13 C14 177.5(9) . .
Zn3 N5 C13 C14 -2.9(11) . .
Tb2 O9 C14 O10 -142.4(9) . .
Tb2 O9 C14 C13 39.0(16) . .
Zn3 O10 C14 O9 -178.0(8) . .
Zn3 O10 C14 C13 0.8(12) . .
C12 C13 C14 O9 -2.6(19) . .
N5 C13 C14 O9 -179.8(10) . .
C12 C13 C14 O10 178.7(12) . .
N5 C13 C14 O10 1.4(14) . .
C13 N5 C15 N4 1.8(13) . .
Zn3 N5 C15 N4 -177.6(9) . .
C13 N5 C15 C16 -177.3(11) . .
Zn3 N5 C15 C16 3(2) . .
C12 N4 C15 N5 -2.3(13) . .
Zn2 N4 C15 N5 176.0(9) . .
C12 N4 C15 C16 176.8(11) . .
Zn2 N4 C15 C16 -5(2) . .
Tb2 O12 C17 O11 -172.6(8) 2_554 .
Tb2 O12 C17 O11 2.3(11) 6_557 .
Tb2 O12 C17 C18 9(2) 2_554 .
Tb2 O12 C17 C18 -175.5(10) 6_557 .
Tb2 O12 C17 Tb2 -175.0(14) 2_554 6_557
Zn3 O11 C17 O12 165.6(8) . .
Tb2 O11 C17 O12 -2.3(11) 6_557 .
Zn3 O11 C17 C18 -16.4(12) . .
Tb2 O11 C17 C18 175.8(9) 6_557 .
Zn3 O11 C17 Tb2 167.8(6) . 6_557
C21 N6 C18 C19 0.0(13) . .
Zn3 N6 C18 C19 -172.7(7) . .
C21 N6 C18 C17 174.7(11) . .
Zn3 N6 C18 C17 2.0(14) . .
O12 C17 C18 C19 2(2) . .
O11 C17 C18 C19 -176.1(12) . .
Tb2 C17 C18 C19 -122(9) 6_557 .
O12 C17 C18 N6 -170.9(10) . .
O11 C17 C18 N6 11.1(16) . .
Tb2 C17 C18 N6 65(10) 6_557 .
C21 N7 C19 C18 2.8(13) . .
Zn1 N7 C19 C18 166.1(8) 5_656 .
C21 N7 C19 C20 -175.0(10) . .
Zn1 N7 C19 C20 -11.7(13) 5_656 .
N6 C18 C19 N7 -1.8(13) . .
C17 C18 C19 N7 -175.2(13) . .
N6 C18 C19 C20 175.5(12) . .
C17 C18 C19 C20 2(2) . .
Zn1 O14 C20 O13 -177.3(10) 5_656 .
Zn1 O14 C20 C19 6.2(14) 5_656 .
Tb2 O13 C20 O14 125.1(14) 2_554 .
Tb2 O13 C20 C19 -58(2) 2_554 .
N7 C19 C20 O14 3.7(17) . .
C18 C19 C20 O14 -173.4(12) . .
N7 C19 C20 O13 -173.0(11) . .
C18 C19 C20 O13 10(2) . .
C18 N6 C21 N7 1.9(14) . .
Zn3 N6 C21 N7 172.1(9) . .
C18 N6 C21 C22 177.5(12) . .
Zn3 N6 C21 C22 -12(2) . .
C19 N7 C21 N6 -3.0(15) . .
Zn1 N7 C21 N6 -159.3(9) 5_656 .
C19 N7 C21 C22 -178.7(12) . .
Zn1 N7 C21 C22 25(2) 5_656 .
N6 Zn3 N8 C23 160.2(5) . .
N5 Zn3 N8 C23 -23.2(5) . .
O10 Zn3 N8 C23 57.2(4) . .
O11 Zn3 N8 C23 -126.0(4) . .
N6 Zn3 N8 C27 -23.8(7) . .
N5 Zn3 N8 C27 152.8(5) . .
O10 Zn3 N8 C27 -126.8(5) . .
O11 Zn3 N8 C27 50.0(5) . .
C27 N8 C23 C24 0.0 . .
Zn3 N8 C23 C24 176.2(5) . .
N8 C23 C24 C25 0.0 . .
C23 C24 C25 C26 0.0 . .
C23 C24 C25 C30 -179.4(8) . .
C24 C25 C26 C27 0.0 . .
C30 C25 C26 C27 179.4(8) . .
C25 C26 C27 N8 0.0 . .
C23 N8 C27 C26 0.0 . .
Zn3 N8 C27 C26 -175.8(5) . .
C32 N9 C28 C29 0.0 . .
N9 C28 C29 C30 0.0 . .
C28 C29 C30 C31 0.0 . .
C28 C29 C30 C25 178.8(8) . .
C26 C25 C30 C29 -170.7(5) . .
C24 C25 C30 C29 8.7(9) . .
C26 C25 C30 C31 8.0(10) . .
C24 C25 C30 C31 -172.5(5) . .
C29 C30 C31 C32 0.0 . .
C25 C30 C31 C32 -178.7(8) . .
C30 C31 C32 N9 0.0 . .
C28 N9 C32 C31 0.0 . .
