#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:58:16 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179606 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/70/4507032.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_4507032
loop_
_publ_author_name
'Cai, Song-Liang'
'Zheng, Sheng-Run'
'Wen, Zhen-Zhen'
'Fan, Jun'
'Zhang, Wei-Guang'
_publ_section_title
;
 A Series of New Three-Dimensional d--f Heterometallic Coordination
 Polymers with Rare 10-ConnectedbctNet Topology Based on Planar
 Hexanuclear Heterometallic Second Building Units
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              5737
_journal_paper_doi               10.1021/cg301256g
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C22 H12 N5 O8 Tb Zn, 3(H2 O) '
_chemical_formula_sum            'C22 H18 N5 O11 Tb Zn'
_chemical_formula_weight         752.70
_chemical_name_systematic
; 
 ? 
;
_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                 120.143(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6901(12)
_cell_length_b                   12.9647(15)
_cell_length_c                   20.7464(18)
_cell_measurement_reflns_used    5395
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.84
_cell_measurement_theta_min      2.27
_cell_volume                     2486.5(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0428
_diffrn_reflns_av_sigmaI/netI    0.0564
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            13111
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.94
_exptl_absorpt_coefficient_mu    3.858
_exptl_absorpt_correction_T_max  0.4707
_exptl_absorpt_correction_T_min  0.4009
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.011
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.906
_refine_diff_density_min         -0.728
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         4860
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0375
_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)+(0.0256P)²+3.8687P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0744
_refine_ls_wR_factor_ref         0.0806
_reflns_number_gt                3897
_reflns_number_total             4860
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg301256g_si_002.cif
_cod_data_source_block           Tb-Zn
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               4507032
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
Tb1 Tb 0.92851(3) 0.141631(19) 0.492237(13) 0.01431(9) Uani 1 1 d .
Zn1 Zn 0.96709(7) 0.15213(5) 0.72870(3) 0.01885(16) Uani 1 1 d .
O1 O 0.9774(4) 0.1108(3) 0.62583(18) 0.0157(8) Uani 1 1 d .
O2 O 1.0463(4) -0.0131(3) 0.57866(19) 0.0175(8) Uani 1 1 d .
O3 O 1.0254(5) -0.2327(3) 0.5862(2) 0.0376(12) Uani 1 1 d .
O4 O 1.0433(5) -0.3349(3) 0.6750(2) 0.0295(10) Uani 1 1 d .
O5 O 0.7612(4) 0.0099(3) 0.4774(2) 0.0308(10) Uani 1 1 d .
O6 O 1.1894(4) 0.1459(3) 0.5520(2) 0.0277(9) Uani 1 1 d .
O7 O 0.7148(4) 0.2317(3) 0.4782(2) 0.0384(12) Uani 1 1 d .
O8 O 0.6950(5) 0.1737(4) 0.3736(2) 0.0501(14) Uani 1 1 d .
N1 N 0.9941(5) -0.0105(3) 0.7367(2) 0.0188(10) Uani 1 1 d .
N2 N 1.0277(5) -0.1817(3) 0.7559(2) 0.0207(11) Uani 1 1 d .
N3 N 0.9926(5) -0.1834(4) 0.9460(3) 0.0263(12) Uani 1 1 d .
N4 N 0.2691(5) -0.1419(4) 0.3416(2) 0.0241(11) Uani 1 1 d .
N5 N 0.2073(5) 0.3286(4) 0.2864(3) 0.0309(13) Uani 1 1 d .
C1 C 1.0159(5) 0.0176(4) 0.6269(3) 0.0150(12) Uani 1 1 d .
C2 C 1.0193(6) -0.0517(4) 0.6836(3) 0.0162(12) Uani 1 1 d .
C3 C 1.0371(6) -0.1579(4) 0.6942(3) 0.0187(12) Uani 1 1 d .
C4 C 1.0386(6) -0.2465(4) 0.6490(3) 0.0232(13) Uani 1 1 d .
C5 C 0.9991(6) -0.0913(4) 0.7785(3) 0.0186(12) Uani 1 1 d .
C6 C 0.9621(6) -0.0909(4) 0.8381(3) 0.0213(13) Uani 1 1 d .
C7 C 0.8515(7) -0.0332(5) 0.8365(4) 0.0333(15) Uani 1 1 d .
H7 H 0.8016 0.0150 0.7990 0.040 Uiso 1 1 calc R
C8 C 0.8160(8) -0.0484(5) 0.8917(4) 0.0450(19) Uani 1 1 d .
H8 H 0.7455 -0.0083 0.8934 0.054 Uiso 1 1 calc R
C9 C 0.8880(8) -0.1245(5) 0.9441(4) 0.0426(18) Uani 1 1 d .
H9 H 0.8623 -0.1355 0.9802 0.051 Uiso 1 1 calc R
C10 C 1.0309(6) -0.1628(4) 0.8951(3) 0.0250(14) Uani 1 1 d .
H10 H 1.1087 -0.1990 0.8979 0.030 Uiso 1 1 calc R
C11 C 0.7268(6) -0.0786(5) 0.4489(3) 0.0221(13) Uani 1 1 d .
C12 C 0.5670(6) -0.1042(4) 0.4125(3) 0.0222(13) Uani 1 1 d .
C13 C 0.5082(7) -0.1965(5) 0.3766(3) 0.0340(16) Uani 1 1 d .
H13 H 0.5679 -0.2482 0.3759 0.041 Uiso 1 1 calc R
C14 C 0.3613(7) -0.2117(5) 0.3419(4) 0.0358(17) Uani 1 1 d .
H14 H 0.3241 -0.2740 0.3174 0.043 Uiso 1 1 calc R
C15 C 0.3276(6) -0.0548(5) 0.3787(3) 0.0324(15) Uani 1 1 d .
H15 H 0.2667 -0.0059 0.3814 0.039 Uiso 1 1 calc R
C16 C 0.4730(6) -0.0331(5) 0.4132(4) 0.0355(16) Uani 1 1 d .
H16 H 0.5075 0.0300 0.4370 0.043 Uiso 1 1 calc R
C17 C 0.6430(7) 0.2192(5) 0.4090(4) 0.0336(16) Uani 1 1 d .
C18 C 0.4898(7) 0.2591(5) 0.3653(4) 0.0318(15) Uani 1 1 d .
C19 C 0.4164(7) 0.2603(5) 0.2891(4) 0.0416(18) Uani 1 1 d .
H19 H 0.4605 0.2373 0.2629 0.050 Uiso 1 1 calc R
C20 C 0.2772(7) 0.2959(5) 0.2519(4) 0.0366(17) Uani 1 1 d .
H20 H 0.2288 0.2974 0.2001 0.044 Uiso 1 1 calc R
C21 C 0.2801(7) 0.3289(6) 0.3603(4) 0.049(2) Uani 1 1 d .
H21 H 0.2343 0.3534 0.3853 0.059 Uiso 1 1 calc R
C22 C 0.4222(8) 0.2940(6) 0.4021(4) 0.049(2) Uani 1 1 d .
H22 H 0.4699 0.2946 0.4539 0.059 Uiso 1 1 calc R
O2W O 0.4100(10) 0.9567(8) 0.7531(5) 0.185(5) Uani 1 1 d .
H2WA H 0.3926 0.9160 0.7192 0.223 Uiso 1 1 d R
H2WB H 0.4945 0.9754 0.7705 0.223 Uiso 1 1 d R
O3W O 0.464(2) 0.9504(12) 0.8987(10) 0.342(10) Uani 1 1 d .
H3WA H 0.4476 0.8887 0.9061 0.411 Uiso 1 1 d R
H3WB H 0.4699 0.9510 0.8592 0.411 Uiso 1 1 d R
O1W O 0.6845(18) 0.4517(15) 0.5199(9) 0.361(10) Uani 1 1 d .
H1WA H 0.6318 0.4951 0.4855 0.433 Uiso 1 1 d R
H1WB H 0.7284 0.4706 0.5659 0.433 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'
Tb Tb -0.1723 4.1537 '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'
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
O3 Tb1 O2 77.40(13) 3_756 3_756
O3 Tb1 O5 134.78(15) 3_756 .
O2 Tb1 O5 73.86(13) 3_756 .
O3 Tb1 O6 75.18(15) 3_756 .
O2 Tb1 O6 82.58(13) 3_756 .
O5 Tb1 O6 132.99(13) . .
O3 Tb1 O7 101.16(16) 3_756 .
O2 Tb1 O7 131.56(13) 3_756 .
O5 Tb1 O7 74.39(15) . .
O6 Tb1 O7 144.78(13) . .
O3 Tb1 O8 71.09(17) 3_756 .
O2 Tb1 O8 82.68(14) 3_756 .
O5 Tb1 O8 71.24(16) . .
O6 Tb1 O8 145.36(16) . .
O7 Tb1 O8 52.75(15) . .
O3 Tb1 N3 76.06(15) 3_756 2_756
O2 Tb1 N3 147.88(15) 3_756 2_756
O5 Tb1 N3 138.27(15) . 2_756
O6 Tb1 N3 73.42(15) . 2_756
O7 Tb1 N3 71.76(15) . 2_756
O8 Tb1 N3 105.22(16) . 2_756
O3 Tb1 O2 134.92(14) 3_756 .
O2 Tb1 O2 73.09(13) 3_756 .
O5 Tb1 O2 66.53(12) . .
O6 Tb1 O2 67.92(12) . .
O7 Tb1 O2 123.93(14) . .
O8 Tb1 O2 135.56(14) . .
N3 Tb1 O2 115.18(14) 2_756 .
O3 Tb1 O1 148.89(13) 3_756 .
O2 Tb1 O1 122.87(11) 3_756 .
O5 Tb1 O1 76.20(13) . .
O6 Tb1 O1 83.90(13) . .
O7 Tb1 O1 82.84(13) . .
O8 Tb1 O1 130.11(14) . .
N3 Tb1 O1 76.04(13) 2_756 .
O2 Tb1 O1 50.47(11) . .
O3 Tb1 Tb1 109.34(11) 3_756 3_756
O2 Tb1 Tb1 38.58(8) 3_756 3_756
O5 Tb1 Tb1 64.90(9) . 3_756
O6 Tb1 Tb1 71.24(9) . 3_756
O7 Tb1 Tb1 139.17(11) . 3_756
O8 Tb1 Tb1 112.95(11) . 3_756
N3 Tb1 Tb1 141.15(11) 2_756 3_756
O2 Tb1 Tb1 34.51(8) . 3_756
O1 Tb1 Tb1 84.63(8) . 3_756
O4 Zn1 N1 94.40(16) 2_756 .
O4 Zn1 N2 77.71(16) 2_756 2_756
N1 Zn1 N2 168.51(17) . 2_756
O4 Zn1 N4 92.60(17) 2_756 3_656
N1 Zn1 N4 93.31(17) . 3_656
N2 Zn1 N4 95.36(17) 2_756 3_656
O4 Zn1 N5 94.48(18) 2_756 4_666
N1 Zn1 N5 89.68(18) . 4_666
N2 Zn1 N5 82.71(18) 2_756 4_666
N4 Zn1 N5 172.07(19) 3_656 4_666
O4 Zn1 O1 170.91(13) 2_756 .
N1 Zn1 O1 76.60(14) . .
N2 Zn1 O1 111.38(15) 2_756 .
N4 Zn1 O1 86.72(15) 3_656 .
N5 Zn1 O1 86.84(16) 4_666 .
C1 O1 Zn1 112.2(3) . .
C1 O1 Tb1 93.1(3) . .
Zn1 O1 Tb1 154.07(16) . .
C1 O2 Tb1 152.3(3) . 3_756
C1 O2 Tb1 94.4(3) . .
Tb1 O2 Tb1 106.91(13) 3_756 .
C4 O3 Tb1 151.1(4) . 3_756
C4 O4 Zn1 118.7(4) . 2_746
C11 O5 Tb1 137.7(4) . .
C11 O6 Tb1 128.6(3) 3_756 .
C17 O7 Tb1 94.2(4) . .
C17 O8 Tb1 91.1(4) . .
C5 N1 C2 104.7(4) . .
C5 N1 Zn1 141.6(4) . .
C2 N1 Zn1 113.6(3) . .
C5 N2 C3 105.3(4) . .
C5 N2 Zn1 143.2(4) . 2_746
C3 N2 Zn1 110.6(3) . 2_746
C10 N3 C9 116.5(5) . .
C10 N3 Tb1 114.9(4) . 2_746
C9 N3 Tb1 125.9(4) . 2_746
C15 N4 C14 116.1(5) . .
C15 N4 Zn1 119.0(4) . 3_656
C14 N4 Zn1 124.2(4) . 3_656
C21 N5 C20 117.3(6) . .
C21 N5 Zn1 117.9(5) . 4_465
C20 N5 Zn1 123.3(4) . 4_465
O2 C1 O1 119.7(5) . .
O2 C1 C2 122.1(5) . .
O1 C1 C2 118.2(5) . .
N1 C2 C3 109.1(4) . .
N1 C2 C1 118.1(5) . .
C3 C2 C1 132.7(5) . .
N2 C3 C2 107.5(4) . .
N2 C3 C4 116.4(5) . .
C2 C3 C4 135.1(5) . .
O3 C4 O4 122.5(5) . .
O3 C4 C3 120.9(5) . .
O4 C4 C3 116.4(5) . .
N1 C5 N2 113.2(5) . .
N1 C5 C6 126.7(5) . .
N2 C5 C6 119.8(5) . .
C7 C6 C10 117.6(5) . .
C7 C6 C5 124.6(5) . .
C10 C6 C5 117.4(5) . .
C8 C7 C6 119.2(6) . .
C8 C7 H7 120.4 . .
C6 C7 H7 120.4 . .
C7 C8 C9 118.3(6) . .
C7 C8 H8 120.8 . .
C9 C8 H8 120.8 . .
N3 C9 C8 123.9(6) . .
N3 C9 H9 118.0 . .
C8 C9 H9 118.0 . .
N3 C10 C6 124.3(6) . .
N3 C10 H10 117.9 . .
C6 C10 H10 117.9 . .
O6 C11 O5 126.7(5) 3_756 .
O6 C11 C12 118.2(5) 3_756 .
O5 C11 C12 115.1(5) . .
C16 C12 C13 116.8(5) . .
C16 C12 C11 119.7(5) . .
C13 C12 C11 123.4(5) . .
C14 C13 C12 119.8(6) . .
C14 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
N4 C14 C13 123.5(6) . .
N4 C14 H14 118.3 . .
C13 C14 H14 118.3 . .
N4 C15 C16 123.6(6) . .
N4 C15 H15 118.2 . .
C16 C15 H15 118.2 . .
C12 C16 C15 120.0(6) . .
C12 C16 H16 120.0 . .
C15 C16 H16 120.0 . .
O7 C17 O8 122.0(6) . .
O7 C17 C18 120.0(6) . .
O8 C17 C18 118.0(6) . .
C22 C18 C19 119.0(6) . .
C22 C18 C17 119.8(6) . .
C19 C18 C17 121.2(6) . .
C18 C19 C20 119.2(7) . .
C18 C19 H19 120.4 . .
C20 C19 H19 120.4 . .
N5 C20 C19 123.1(6) . .
N5 C20 H20 118.4 . .
C19 C20 H20 118.4 . .
N5 C21 C22 122.9(7) . .
N5 C21 H21 118.6 . .
C22 C21 H21 118.6 . .
C18 C22 C21 118.5(6) . .
C18 C22 H22 120.7 . .
C21 C22 H22 120.7 . .
H2WA O2W H2WB 106.7 . .
H3WA O3W H3WB 107.7 . .
H1WA O1W H1WB 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O3 2.257(4) 3_756
Tb1 O2 2.326(3) 3_756
Tb1 O5 2.378(4) .
Tb1 O6 2.418(4) .
Tb1 O7 2.449(4) .
Tb1 O8 2.508(4) .
Tb1 N3 2.533(5) 2_756
Tb1 O2 2.561(3) .
Tb1 O1 2.581(3) .
Zn1 O4 2.063(4) 2_756
Zn1 N1 2.123(4) .
Zn1 N2 2.174(4) 2_756
Zn1 N4 2.196(5) 3_656
Zn1 N5 2.237(5) 4_666
Zn1 O1 2.256(3) .
O1 C1 1.273(6) .
O2 C1 1.262(6) .
O2 Tb1 2.326(3) 3_756
O3 C4 1.250(6) .
O3 Tb1 2.257(4) 3_756
O4 C4 1.257(6) .
O4 Zn1 2.063(4) 2_746
O5 C11 1.259(6) .
O6 C11 1.257(7) 3_756
O7 C17 1.252(7) .
O8 C17 1.267(8) .
N1 C5 1.345(6) .
N1 C2 1.366(6) .
N2 C5 1.353(7) .
N2 C3 1.370(7) .
N2 Zn1 2.174(4) 2_746
N3 C10 1.337(7) .
N3 C9 1.338(8) .
N3 Tb1 2.533(5) 2_746
N4 C15 1.333(7) .
N4 C14 1.336(7) .
N4 Zn1 2.196(5) 3_656
N5 C21 1.325(8) .
N5 C20 1.337(8) .
N5 Zn1 2.237(5) 4_465
C1 C2 1.467(7) .
C2 C3 1.392(7) .
C3 C4 1.488(7) .
C5 C6 1.475(7) .
C6 C7 1.386(8) .
C6 C10 1.391(8) .
C7 C8 1.390(9) .
C7 H7 0.9300 .
C8 C9 1.380(9) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 O6 1.257(7) 3_756
C11 C12 1.517(7) .
C12 C16 1.369(8) .
C12 C13 1.383(8) .
C13 C14 1.374(8) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.375(8) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C18 1.510(9) .
C18 C22 1.365(9) .
C18 C19 1.367(8) .
C19 C20 1.367(8) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.393(9) .
C21 H21 0.9300 .
C22 H22 0.9300 .
O2W H2WA 0.8230 .
O2W H2WB 0.8238 .
O3W H3WA 0.8500 .
O3W H3WB 0.8500 .
O1W H1WA 0.8600 .
O1W H1WB 0.8600 .
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
N1 Zn1 O1 C1 -10.2(3) . .
N2 Zn1 O1 C1 161.1(3) 2_756 .
N4 Zn1 O1 C1 -104.4(3) 3_656 .
N5 Zn1 O1 C1 80.2(4) 4_666 .
N1 Zn1 O1 Tb1 157.2(4) . .
N2 Zn1 O1 Tb1 -31.5(4) 2_756 .
N4 Zn1 O1 Tb1 63.0(4) 3_656 .
N5 Zn1 O1 Tb1 -112.4(4) 4_666 .
O3 Tb1 O1 C1 -122.3(4) 3_756 .
O2 Tb1 O1 C1 2.3(3) 3_756 .
O5 Tb1 O1 C1 62.3(3) . .
O6 Tb1 O1 C1 -74.8(3) . .
O7 Tb1 O1 C1 137.9(3) . .
O8 Tb1 O1 C1 112.5(3) . .
N3 Tb1 O1 C1 -149.2(3) 2_756 .
O2 Tb1 O1 C1 -8.5(3) . .
Tb1 Tb1 O1 C1 -3.1(3) 3_756 .
O3 Tb1 O1 Zn1 69.3(5) 3_756 .
O2 Tb1 O1 Zn1 -166.0(3) 3_756 .
O5 Tb1 O1 Zn1 -106.0(4) . .
O6 Tb1 O1 Zn1 116.9(4) . .
O7 Tb1 O1 Zn1 -30.4(4) . .
O8 Tb1 O1 Zn1 -55.8(4) . .
N3 Tb1 O1 Zn1 42.5(4) 2_756 .
O2 Tb1 O1 Zn1 -176.8(4) . .
Tb1 Tb1 O1 Zn1 -171.5(4) 3_756 .
O3 Tb1 O2 C1 146.7(3) 3_756 .
O2 Tb1 O2 C1 -162.0(4) 3_756 .
O5 Tb1 O2 C1 -82.6(3) . .
O6 Tb1 O2 C1 109.3(3) . .
O7 Tb1 O2 C1 -32.9(3) . .
O8 Tb1 O2 C1 -102.0(3) . .
N3 Tb1 O2 C1 51.4(3) 2_756 .
O1 Tb1 O2 C1 8.6(3) . .
Tb1 Tb1 O2 C1 -162.0(4) 3_756 .
O3 Tb1 O2 Tb1 -51.3(2) 3_756 3_756
O2 Tb1 O2 Tb1 0.0 3_756 3_756
O5 Tb1 O2 Tb1 79.35(16) . 3_756
O6 Tb1 O2 Tb1 -88.71(16) . 3_756
O7 Tb1 O2 Tb1 129.13(15) . 3_756
O8 Tb1 O2 Tb1 60.0(2) . 3_756
N3 Tb1 O2 Tb1 -146.64(15) 2_756 3_756
O1 Tb1 O2 Tb1 170.6(2) . 3_756
O3 Tb1 O5 C11 56.5(6) 3_756 .
O2 Tb1 O5 C11 3.9(5) 3_756 .
O6 Tb1 O5 C11 -59.2(6) . .
O7 Tb1 O5 C11 146.8(6) . .
O8 Tb1 O5 C11 91.5(5) . .
N3 Tb1 O5 C11 -176.5(5) 2_756 .
O2 Tb1 O5 C11 -74.3(5) . .
O1 Tb1 O5 C11 -126.9(5) . .
Tb1 Tb1 O5 C11 -36.4(5) 3_756 .
O3 Tb1 O6 C11 -97.3(5) 3_756 3_756
O2 Tb1 O6 C11 -18.5(5) 3_756 3_756
O5 Tb1 O6 C11 41.2(5) . 3_756
O7 Tb1 O6 C11 174.3(4) . 3_756
O8 Tb1 O6 C11 -84.0(5) . 3_756
N3 Tb1 O6 C11 -176.9(5) 2_756 3_756
O2 Tb1 O6 C11 56.3(5) . 3_756
O1 Tb1 O6 C11 105.9(5) . 3_756
Tb1 Tb1 O6 C11 19.5(4) 3_756 3_756
O3 Tb1 O7 C17 56.3(4) 3_756 .
O2 Tb1 O7 C17 -26.7(5) 3_756 .
O5 Tb1 O7 C17 -77.4(4) . .
O6 Tb1 O7 C17 136.3(4) . .
O8 Tb1 O7 C17 0.7(4) . .
N3 Tb1 O7 C17 127.4(4) 2_756 .
O2 Tb1 O7 C17 -124.0(4) . .
O1 Tb1 O7 C17 -155.0(4) . .
Tb1 Tb1 O7 C17 -81.8(4) 3_756 .
O3 Tb1 O8 C17 -121.8(4) 3_756 .
O2 Tb1 O8 C17 159.0(4) 3_756 .
O5 Tb1 O8 C17 83.7(4) . .
O6 Tb1 O8 C17 -135.5(4) . .
O7 Tb1 O8 C17 -0.7(4) . .
N3 Tb1 O8 C17 -52.8(4) 2_756 .
O2 Tb1 O8 C17 102.4(4) . .
O1 Tb1 O8 C17 31.6(5) . .
Tb1 Tb1 O8 C17 134.6(4) 3_756 .
O4 Zn1 N1 C5 3.2(6) 2_756 .
N2 Zn1 N1 C5 49.3(12) 2_756 .
N4 Zn1 N1 C5 -89.7(6) 3_656 .
N5 Zn1 N1 C5 97.7(6) 4_666 .
O1 Zn1 N1 C5 -175.5(6) . .
O4 Zn1 N1 C2 -174.4(4) 2_756 .
N2 Zn1 N1 C2 -128.3(8) 2_756 .
N4 Zn1 N1 C2 92.8(4) 3_656 .
N5 Zn1 N1 C2 -79.9(4) 4_666 .
O1 Zn1 N1 C2 6.9(4) . .
Tb1 O2 C1 O1 -156.1(5) 3_756 .
Tb1 O2 C1 O1 -15.6(5) . .
Tb1 O2 C1 C2 22.2(10) 3_756 .
Tb1 O2 C1 C2 162.7(4) . .
Zn1 O1 C1 O2 -170.1(4) . .
Tb1 O1 C1 O2 15.4(5) . .
Zn1 O1 C1 C2 11.6(6) . .
Tb1 O1 C1 C2 -162.9(4) . .
C5 N1 C2 C3 0.9(6) . .
Zn1 N1 C2 C3 179.3(3) . .
C5 N1 C2 C1 177.9(5) . .
Zn1 N1 C2 C1 -3.6(6) . .
O2 C1 C2 N1 175.8(5) . .
O1 C1 C2 N1 -6.0(7) . .
O2 C1 C2 C3 -8.0(9) . .
O1 C1 C2 C3 170.3(5) . .
C5 N2 C3 C2 2.4(6) . .
Zn1 N2 C3 C2 174.4(3) 2_746 .
C5 N2 C3 C4 -168.1(5) . .
Zn1 N2 C3 C4 4.0(6) 2_746 .
N1 C2 C3 N2 -2.1(6) . .
C1 C2 C3 N2 -178.6(6) . .
N1 C2 C3 C4 165.8(6) . .
C1 C2 C3 C4 -10.7(11) . .
Tb1 O3 C4 O4 -146.4(6) 3_756 .
Tb1 O3 C4 C3 38.7(12) 3_756 .
Zn1 O4 C4 O3 -170.5(5) 2_746 .
Zn1 O4 C4 C3 4.6(7) 2_746 .
N2 C3 C4 O3 169.3(5) . .
C2 C3 C4 O3 2.3(11) . .
N2 C3 C4 O4 -5.8(8) . .
C2 C3 C4 O4 -172.9(6) . .
C2 N1 C5 N2 0.7(6) . .
Zn1 N1 C5 N2 -177.0(4) . .
C2 N1 C5 C6 -172.4(5) . .
Zn1 N1 C5 C6 10.0(10) . .
C3 N2 C5 N1 -2.0(6) . .
Zn1 N2 C5 N1 -169.5(4) 2_746 .
C3 N2 C5 C6 171.6(5) . .
Zn1 N2 C5 C6 4.1(9) 2_746 .
N1 C5 C6 C7 36.4(9) . .
N2 C5 C6 C7 -136.2(6) . .
N1 C5 C6 C10 -152.1(5) . .
N2 C5 C6 C10 35.2(8) . .
C10 C6 C7 C8 1.0(9) . .
C5 C6 C7 C8 172.4(6) . .
C6 C7 C8 C9 -3.3(10) . .
C10 N3 C9 C8 2.6(10) . .
Tb1 N3 C9 C8 -158.0(6) 2_746 .
C7 C8 C9 N3 1.5(11) . .
C9 N3 C10 C6 -5.1(9) . .
Tb1 N3 C10 C6 157.6(4) 2_746 .
C7 C6 C10 N3 3.4(9) . .
C5 C6 C10 N3 -168.7(5) . .
Tb1 O5 C11 O6 36.0(9) . 3_756
Tb1 O5 C11 C12 -144.0(4) . .
O6 C11 C12 C16 179.3(6) 3_756 .
O5 C11 C12 C16 -0.7(8) . .
O6 C11 C12 C13 -1.8(9) 3_756 .
O5 C11 C12 C13 178.2(6) . .
C16 C12 C13 C14 2.0(9) . .
C11 C12 C13 C14 -176.9(6) . .
C15 N4 C14 C13 -1.2(10) . .
Zn1 N4 C14 C13 168.9(5) 3_656 .
C12 C13 C14 N4 -1.2(11) . .
C14 N4 C15 C16 2.8(9) . .
Zn1 N4 C15 C16 -167.8(5) 3_656 .
C13 C12 C16 C15 -0.5(10) . .
C11 C12 C16 C15 178.5(6) . .
N4 C15 C16 C12 -2.0(10) . .
Tb1 O7 C17 O8 -1.2(7) . .
Tb1 O7 C17 C18 178.9(5) . .
Tb1 O8 C17 O7 1.2(7) . .
Tb1 O8 C17 C18 -178.9(5) . .
O7 C17 C18 C22 -10.2(10) . .
O8 C17 C18 C22 169.9(7) . .
O7 C17 C18 C19 170.3(6) . .
O8 C17 C18 C19 -9.6(10) . .
C22 C18 C19 C20 -0.3(10) . .
C17 C18 C19 C20 179.1(6) . .
C21 N5 C20 C19 2.2(10) . .
Zn1 N5 C20 C19 -163.6(5) 4_465 .
C18 C19 C20 N5 -1.0(11) . .
C20 N5 C21 C22 -2.0(11) . .
Zn1 N5 C21 C22 164.5(6) 4_465 .
C19 C18 C22 C21 0.5(11) . .
C17 C18 C22 C21 -179.0(7) . .
N5 C21 C22 C18 0.7(12) . .
