#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/66/4506681.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_4506681
loop_
_publ_author_name
'Cai, Song-Liang'
'Zheng, Sheng-Run'
'Wen, Zhen-Zhen'
'Fan, Jun'
'Wang, Ning'
'Zhang, Wei-Guang'
_publ_section_title
;
 Two Types of New Three-Dimensional d--f Heterometallic Coordination
 Polymers Based on 2-(Pyridin-3-yl)-1H-Imidazole-4,5-Dicarboxylate and
 Oxalate Ligands: Syntheses, Structures, Luminescence, and Magnetic
 Properties
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4441
_journal_paper_doi               10.1021/cg300613t
_journal_volume                  12
_journal_year                    2012
_chemical_formula_moiety         'C22 H13 Ag3 N6 O15 Tb2 '
_chemical_formula_sum            'C22 H13 Ag3 N6 O15 Tb2'
_chemical_formula_weight         1242.83
_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                 117.11(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.367(2)
_cell_length_b                   23.540(12)
_cell_length_c                   15.388(10)
_cell_measurement_reflns_used    4504
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.59
_cell_volume                     2698(3)
_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 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0863
_diffrn_reflns_av_sigmaI/netI    0.0784
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14677
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    7.405
_exptl_absorpt_correction_T_max  0.2397
_exptl_absorpt_correction_T_min  0.1937
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.060
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2312
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.27
_refine_diff_density_max         2.200
_refine_diff_density_min         -1.320
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         5294
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.0505
_refine_ls_R_factor_gt           0.0364
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0237P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0842
_reflns_number_gt                4178
_reflns_number_total             5294
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300613t_si_001.cif
_cod_data_source_block           Tb-Ag
_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_cell_volume        2698(2)
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               4506681
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 0.65526(5) 0.723672(16) 0.14886(3) 0.01682(10) Uani 1 1 d .
Tb2 Tb 0.49570(5) 0.740647(16) -0.15728(3) 0.01817(11) Uani 1 1 d .
Ag1 Ag -0.26713(10) 0.42821(3) -0.32273(5) 0.0471(2) Uani 1 1 d .
Ag2 Ag 0.48837(9) 0.48267(3) 0.22471(5) 0.03503(19) Uani 1 1 d .
Ag3 Ag 0.17615(10) 0.56771(3) -0.22494(5) 0.0419(2) Uani 1 1 d .
O1 O 0.4291(7) 0.6396(2) -0.1487(4) 0.0273(13) Uani 1 1 d .
O1W O 0.3319(7) 0.7213(2) 0.0610(4) 0.0321(14) Uani 1 1 d .
H1WA H 0.2851 0.7235 -0.0009 0.048 Uiso 1 1 d R
H1WB H 0.2701 0.7420 0.0796 0.048 Uiso 1 1 d R
O2 O 0.5740(6) 0.6825(2) -0.0083(4) 0.0196(12) Uani 1 1 d .
O3 O 0.7581(7) 0.6331(2) 0.1746(4) 0.0261(13) Uani 1 1 d .
O4 O 0.7585(7) 0.5480(3) 0.2371(4) 0.0365(15) Uani 1 1 d .
O5 O 0.4364(8) 0.8344(2) -0.1096(4) 0.0364(15) Uani 1 1 d .
O6 O 0.5976(7) 0.7941(2) 0.0312(4) 0.0339(15) Uani 1 1 d .
O7 O 0.5744(7) 0.8037(2) 0.2207(4) 0.0258(13) Uani 1 1 d .
O8 O 0.7434(9) 0.8812(3) 0.2836(5) 0.059(2) Uani 1 1 d .
O9 O 1.2251(7) 0.7633(3) 0.3683(4) 0.0309(14) Uani 1 1 d .
O10 O 0.9289(6) 0.7450(2) 0.2991(4) 0.0267(14) Uani 1 1 d .
O11 O 1.2170(6) 0.7565(3) 0.1934(4) 0.0292(14) Uani 1 1 d .
O12 O 0.9254(6) 0.7364(2) 0.1261(4) 0.0258(13) Uani 1 1 d .
O13 O 0.5633(6) 0.6942(2) 0.2574(4) 0.0227(12) Uani 1 1 d .
H13 H 0.5513 0.6613 0.2758 0.034 Uiso 1 1 d R
N1 N 0.2922(8) 0.5596(3) -0.0672(4) 0.0199(15) Uani 1 1 d .
N2 N 0.4157(8) 0.5241(2) 0.0852(4) 0.0189(14) Uani 1 1 d .
N3 N -0.1255(8) 0.4366(3) -0.1692(5) 0.0277(17) Uani 1 1 d .
N4 N 0.4407(8) 0.9438(3) 0.1356(5) 0.0246(16) Uani 1 1 d .
N5 N 0.3571(9) 0.9265(3) -0.0228(5) 0.0264(16) Uani 1 1 d .
N6 N -0.0023(9) 1.0658(3) -0.1205(5) 0.0349(19) Uani 1 1 d .
C1 C 0.4834(9) 0.6399(3) -0.0574(6) 0.0209(18) Uani 1 1 d .
C2 C 0.4377(9) 0.5927(3) -0.0105(5) 0.0180(17) Uani 1 1 d .
C3 C 0.5120(9) 0.5709(3) 0.0833(5) 0.0178(17) Uani 1 1 d .
C4 C 0.6895(10) 0.5851(3) 0.1739(6) 0.0221(18) Uani 1 1 d .
C5 C 0.2806(10) 0.5198(3) -0.0082(6) 0.0222(18) Uani 1 1 d .
C6 C 0.1428(10) 0.4755(3) -0.0400(6) 0.0217(18) Uani 1 1 d .
C7 C 0.1472(11) 0.4305(3) 0.0190(6) 0.029(2) Uani 1 1 d .
H7 H 0.2397 0.4276 0.0823 0.035 Uiso 1 1 calc R
C8 C 0.0111(11) 0.3891(4) -0.0174(7) 0.037(2) Uani 1 1 d .
H8 H 0.0110 0.3591 0.0218 0.045 Uiso 1 1 calc R
C9 C -0.1192(11) 0.3938(3) -0.1099(7) 0.030(2) Uani 1 1 d .
H9 H -0.2086 0.3662 -0.1338 0.036 Uiso 1 1 calc R
C10 C -0.0002(10) 0.4776(3) -0.1327(6) 0.0250(19) Uani 1 1 d .
H10 H -0.0103 0.5089 -0.1717 0.030 Uiso 1 1 calc R
C11 C 0.4989(11) 0.8344(3) -0.0185(7) 0.029(2) Uani 1 1 d .
C12 C 0.4557(10) 0.8808(3) 0.0301(6) 0.028(2) Uani 1 1 d .
C13 C 0.5049(10) 0.8916(3) 0.1275(5) 0.0222(18) Uani 1 1 d .
C14 C 0.6141(12) 0.8569(4) 0.2167(6) 0.032(2) Uani 1 1 d .
C15 C 0.3469(10) 0.9631(3) 0.0409(6) 0.026(2) Uani 1 1 d .
C16 C 0.2376(10) 1.0151(4) 0.0111(6) 0.026(2) Uani 1 1 d .
C17 C 0.2546(11) 1.0598(4) 0.0724(6) 0.036(2) Uani 1 1 d .
H17 H 0.3406 1.0584 0.1375 0.044 Uiso 1 1 calc R
C18 C 0.1463(13) 1.1060(4) 0.0382(7) 0.043(3) Uani 1 1 d .
H18 H 0.1580 1.1360 0.0800 0.051 Uiso 1 1 calc R
C19 C 0.0176(11) 1.1086(4) -0.0595(7) 0.037(2) Uani 1 1 d .
H19 H -0.0552 1.1406 -0.0824 0.044 Uiso 1 1 calc R
C20 C 0.0993(11) 1.0197(4) -0.0853(6) 0.036(2) Uani 1 1 d .
H20 H 0.0777 0.9888 -0.1267 0.043 Uiso 1 1 calc R
C21 C 1.0752(9) 0.7520(3) 0.2976(5) 0.0196(17) Uani 1 1 d .
C22 C 1.0739(9) 0.7476(3) 0.1976(5) 0.0196(17) Uani 1 1 d .
O2W O 0.8095(7) 0.7439(2) -0.0682(4) 0.0298(14) Uani 1 1 d .
H2WB H 0.8678 0.7538 -0.0989 0.036 Uiso 1 1 d R
H2WA H 0.8900 0.7353 -0.0112 0.036 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'
Ag Ag -0.8971 1.1015 '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'
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
O13 Tb1 O3 79.12(19) . .
O13 Tb1 O6 140.91(18) . .
O3 Tb1 O6 136.9(2) . .
O13 Tb1 O2 126.18(18) . .
O3 Tb1 O2 72.93(18) . .
O6 Tb1 O2 69.0(2) . .
O13 Tb1 O1W 74.51(18) . .
O3 Tb1 O1W 108.43(19) . .
O6 Tb1 O1W 78.4(2) . .
O2 Tb1 O1W 72.24(18) . .
O13 Tb1 O7 68.90(19) . .
O3 Tb1 O7 144.32(19) . .
O6 Tb1 O7 78.5(2) . .
O2 Tb1 O7 139.62(17) . .
O1W Tb1 O7 78.43(18) . .
O13 Tb1 O10 81.42(18) . .
O3 Tb1 O10 84.91(19) . .
O6 Tb1 O10 111.0(2) . .
O2 Tb1 O10 138.37(17) . .
O1W Tb1 O10 149.32(19) . .
O7 Tb1 O10 75.29(18) . .
O13 Tb1 O12 142.50(17) . .
O3 Tb1 O12 80.74(19) . .
O6 Tb1 O12 71.42(18) . .
O2 Tb1 O12 76.24(17) . .
O1W Tb1 O12 142.37(18) . .
O7 Tb1 O12 115.74(18) . .
O10 Tb1 O12 65.51(17) . .
O13 Tb1 Tb2 30.50(13) . 4_576
O3 Tb1 Tb2 107.84(15) . 4_576
O6 Tb1 Tb2 114.89(14) . 4_576
O2 Tb1 Tb2 145.59(12) . 4_576
O1W Tb1 Tb2 75.21(14) . 4_576
O7 Tb1 Tb2 38.49(13) . 4_576
O10 Tb1 Tb2 74.39(13) . 4_576
O12 Tb1 Tb2 138.16(12) . 4_576
O13 Tb2 O2W 78.86(18) 4_575 .
O13 Tb2 O11 79.43(19) 4_575 4_475
O2W Tb2 O11 153.30(19) . 4_475
O13 Tb2 O5 72.5(2) 4_575 .
O2W Tb2 O5 97.0(2) . .
O11 Tb2 O5 91.1(2) 4_475 .
O13 Tb2 O1 144.35(18) 4_575 .
O2W Tb2 O1 102.75(18) . .
O11 Tb2 O1 86.23(18) 4_475 .
O5 Tb2 O1 140.7(2) . .
O13 Tb2 O9 127.61(18) 4_575 4_475
O2W Tb2 O9 140.50(19) . 4_475
O11 Tb2 O9 66.10(18) 4_475 4_475
O5 Tb2 O9 70.1(2) . 4_475
O1 Tb2 O9 73.08(19) . 4_475
O13 Tb2 O7 67.81(19) 4_575 4_575
O2W Tb2 O7 81.01(19) . 4_575
O11 Tb2 O7 76.51(18) 4_475 4_575
O5 Tb2 O7 139.93(19) . 4_575
O1 Tb2 O7 77.20(18) . 4_575
O9 Tb2 O7 133.02(18) 4_475 4_575
O13 Tb2 O2 151.78(16) 4_575 .
O2W Tb2 O2 74.02(17) . .
O11 Tb2 O2 128.78(18) 4_475 .
O5 Tb2 O2 102.95(18) . .
O1 Tb2 O2 52.39(16) . .
O9 Tb2 O2 73.04(17) 4_475 .
O7 Tb2 O2 114.57(17) 4_575 .
O13 Tb2 O6 104.42(18) 4_575 .
O2W Tb2 O6 70.22(18) . .
O11 Tb2 O6 130.77(18) 4_475 .
O5 Tb2 O6 47.04(17) . .
O1 Tb2 O6 109.61(17) . .
O9 Tb2 O6 74.41(18) 4_475 .
O7 Tb2 O6 151.21(16) 4_575 .
O2 Tb2 O6 59.00(16) . .
O13 Tb2 Tb1 30.39(13) 4_575 4_575
O2W Tb2 Tb1 75.89(14) . 4_575
O11 Tb2 Tb1 77.51(14) 4_475 4_575
O5 Tb2 Tb1 102.90(15) . 4_575
O1 Tb2 Tb1 114.62(13) . 4_575
O9 Tb2 Tb1 142.46(13) 4_475 4_575
O7 Tb2 Tb1 37.51(13) 4_575 4_575
O2 Tb2 Tb1 142.21(12) . 4_575
O6 Tb2 Tb1 128.76(12) . 4_575
N3 Ag1 N5 167.4(3) . 2_544
N3 Ag1 O5 117.2(2) . 2_544
N5 Ag1 O5 71.6(2) 2_544 2_544
N4 Ag2 N2 178.5(2) 2_645 .
N4 Ag2 Ag3 89.92(19) 2_645 3_665
N2 Ag2 Ag3 91.08(17) . 3_665
N6 Ag3 N1 165.1(3) 2_544 .
N6 Ag3 O1 121.7(2) 2_544 .
N1 Ag3 O1 71.9(2) . .
N6 Ag3 Ag2 98.7(2) 2_544 3_665
N1 Ag3 Ag2 91.26(17) . 3_665
O1 Ag3 Ag2 71.67(13) . 3_665
C1 O1 Tb2 94.6(5) . .
C1 O1 Ag3 108.5(5) . .
Tb2 O1 Ag3 141.3(2) . .
Tb1 O1W H1WA 116.9 . .
Tb1 O1W H1WB 119.8 . .
H1WA O1W H1WB 107.7 . .
C1 O2 Tb1 137.2(5) . .
C1 O2 Tb2 92.9(4) . .
Tb1 O2 Tb2 122.8(2) . .
C4 O3 Tb1 134.8(5) . .
C11 O5 Tb2 107.3(5) . .
C11 O5 Ag1 108.9(5) . 2_554
Tb2 O5 Ag1 143.3(3) . 2_554
C11 O6 Tb1 148.2(6) . .
C11 O6 Tb2 84.8(5) . .
Tb1 O6 Tb2 109.2(2) . .
C14 O7 Tb1 126.4(5) . .
C14 O7 Tb2 126.9(5) . 4_576
Tb1 O7 Tb2 104.0(2) . 4_576
C21 O9 Tb2 118.7(5) . 4_676
C21 O10 Tb1 120.8(5) . .
C22 O11 Tb2 119.3(5) . 4_676
C22 O12 Tb1 120.5(5) . .
Tb1 O13 Tb2 119.1(2) . 4_576
Tb1 O13 H13 131.6 . .
Tb2 O13 H13 109.2 4_576 .
C5 N1 C2 106.5(6) . .
C5 N1 Ag3 133.2(5) . .
C2 N1 Ag3 118.4(5) . .
C5 N2 C3 104.4(6) . .
C5 N2 Ag2 136.7(5) . .
C3 N2 Ag2 118.5(5) . .
C10 N3 C9 118.2(7) . .
C10 N3 Ag1 117.9(6) . .
C9 N3 Ag1 121.1(5) . .
C13 N4 C15 104.9(6) . .
C13 N4 Ag2 122.1(5) . 2_655
C15 N4 Ag2 132.7(5) . 2_655
C15 N5 C12 106.9(7) . .
C15 N5 Ag1 133.9(5) . 2_554
C12 N5 Ag1 119.0(5) . 2_554
C20 N6 C19 118.5(7) . .
C20 N6 Ag3 116.8(6) . 2_554
C19 N6 Ag3 124.6(6) . 2_554
O1 C1 O2 118.5(7) . .
O1 C1 C2 120.0(7) . .
O2 C1 C2 121.5(7) . .
N1 C2 C3 107.4(6) . .
N1 C2 C1 118.2(6) . .
C3 C2 C1 134.4(7) . .
N2 C3 C2 109.3(6) . .
N2 C3 C4 119.2(7) . .
C2 C3 C4 130.8(7) . .
O4 C4 O3 125.2(7) . .
O4 C4 C3 118.1(7) . .
O3 C4 C3 116.5(7) . .
N1 C5 N2 112.3(6) . .
N1 C5 C6 124.2(7) . .
N2 C5 C6 123.4(7) . .
C10 C6 C7 117.1(7) . .
C10 C6 C5 119.9(7) . .
C7 C6 C5 123.0(7) . .
C6 C7 C8 119.6(8) . .
C6 C7 H7 120.2 . .
C8 C7 H7 120.2 . .
C9 C8 C7 118.9(8) . .
C9 C8 H8 120.5 . .
C7 C8 H8 120.5 . .
N3 C9 C8 122.8(8) . .
N3 C9 H9 118.6 . .
C8 C9 H9 118.6 . .
N3 C10 C6 123.3(8) . .
N3 C10 H10 118.3 . .
C6 C10 H10 118.3 . .
O5 C11 O6 120.1(8) . .
O5 C11 C12 119.9(8) . .
O6 C11 C12 120.0(8) . .
N5 C12 C13 107.5(7) . .
N5 C12 C11 120.3(8) . .
C13 C12 C11 132.1(7) . .
N4 C13 C12 109.1(7) . .
N4 C13 C14 120.4(7) . .
C12 C13 C14 130.4(7) . .
O8 C14 O7 123.2(8) . .
O8 C14 C13 116.5(8) . .
O7 C14 C13 120.3(7) . .
N5 C15 N4 111.5(6) . .
N5 C15 C16 123.1(7) . .
N4 C15 C16 125.2(7) . .
C17 C16 C20 116.2(7) . .
C17 C16 C15 124.6(7) . .
C20 C16 C15 119.1(7) . .
C18 C17 C16 120.3(8) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C17 C18 C19 120.2(9) . .
C17 C18 H18 119.9 . .
C19 C18 H18 119.9 . .
N6 C19 C18 120.8(8) . .
N6 C19 H19 119.6 . .
C18 C19 H19 119.6 . .
N6 C20 C16 123.8(8) . .
N6 C20 H20 118.1 . .
C16 C20 H20 118.1 . .
O10 C21 O9 127.7(8) . .
O10 C21 C22 116.8(6) . .
O9 C21 C22 115.4(7) . .
O11 C22 O12 125.4(8) . .
O11 C22 C21 118.1(6) . .
O12 C22 C21 116.4(7) . .
Tb2 O2W H2WB 117.1 . .
Tb2 O2W H2WA 138.1 . .
H2WB O2W H2WA 104.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tb1 O13 2.244(5) .
Tb1 O3 2.265(5) .
Tb1 O6 2.338(6) .
Tb1 O2 2.398(5) .
Tb1 O1W 2.412(5) .
Tb1 O7 2.432(5) .
Tb1 O10 2.453(5) .
Tb1 O12 2.459(5) .
Tb2 O13 2.251(5) 4_575
Tb2 O2W 2.345(5) .
Tb2 O11 2.416(5) 4_475
Tb2 O5 2.447(6) .
Tb2 O1 2.460(6) .
Tb2 O9 2.470(5) 4_475
Tb2 O7 2.486(6) 4_575
Tb2 O2 2.488(5) .
Tb2 O6 2.910(6) .
Ag1 N3 2.115(7) .
Ag1 N5 2.142(7) 2_544
Ag1 O5 2.573(6) 2_544
Ag2 N4 2.156(6) 2_645
Ag2 N2 2.177(6) .
Ag2 Ag3 3.0458(14) 3_665
Ag3 N6 2.150(7) 2_544
Ag3 N1 2.173(6) .
Ag3 O1 2.542(5) .
Ag3 Ag2 3.0457(14) 3_665
O1 C1 1.265(9) .
O1W H1WA 0.8500 .
O1W H1WB 0.8500 .
O2 C1 1.277(8) .
O3 C4 1.267(9) .
O4 C4 1.236(9) .
O5 C11 1.254(10) .
O5 Ag1 2.573(6) 2_554
O6 C11 1.262(9) .
O7 C14 1.304(10) .
O7 Tb2 2.486(6) 4_576
O8 C14 1.242(9) .
O9 C21 1.258(8) .
O9 Tb2 2.470(5) 4_676
O10 C21 1.246(9) .
O11 C22 1.245(9) .
O11 Tb2 2.416(5) 4_676
O12 C22 1.256(8) .
O13 Tb2 2.251(5) 4_576
O13 H13 0.8474 .
N1 C5 1.338(9) .
N1 C2 1.371(9) .
N2 C5 1.369(9) .
N2 C3 1.373(9) .
N3 C10 1.344(9) .
N3 C9 1.345(10) .
N4 C13 1.369(9) .
N4 C15 1.380(10) .
N4 Ag2 2.156(6) 2_655
N5 C15 1.337(10) .
N5 C12 1.373(9) .
N5 Ag1 2.141(7) 2_554
N6 C20 1.332(10) .
N6 C19 1.335(11) .
N6 Ag3 2.150(7) 2_554
C1 C2 1.467(10) .
C2 C3 1.384(10) .
C3 C4 1.541(10) .
C5 C6 1.464(10) .
C6 C10 1.383(11) .
C6 C7 1.386(11) .
C7 C8 1.406(11) .
C7 H7 0.9300 .
C8 C9 1.347(11) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.458(11) .
C12 C13 1.385(11) .
C13 C14 1.497(10) .
C15 C16 1.472(10) .
C16 C17 1.376(11) .
C16 C20 1.409(11) .
C17 C18 1.358(11) .
C17 H17 0.9300 .
C18 C19 1.396(12) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.537(11) .
O2W H2WB 0.8520 .
O2W H2WA 0.8511 .
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
O13 Tb2 O1 C1 153.9(4) 4_575 .
O2W Tb2 O1 C1 65.3(5) . .
O11 Tb2 O1 C1 -140.2(5) 4_475 .
O5 Tb2 O1 C1 -53.0(5) . .
O9 Tb2 O1 C1 -74.0(5) 4_475 .
O7 Tb2 O1 C1 142.8(5) 4_575 .
O2 Tb2 O1 C1 7.3(4) . .
O6 Tb2 O1 C1 -8.0(5) . .
Tb1 Tb2 O1 C1 145.4(4) 4_575 .
O13 Tb2 O1 Ag3 -78.6(5) 4_575 .
O2W Tb2 O1 Ag3 -167.2(4) . .
O11 Tb2 O1 Ag3 -12.6(4) 4_475 .
O5 Tb2 O1 Ag3 74.6(5) . .
O9 Tb2 O1 Ag3 53.5(4) 4_475 .
O7 Tb2 O1 Ag3 -89.6(4) 4_575 .
O2 Tb2 O1 Ag3 134.9(5) . .
O6 Tb2 O1 Ag3 119.5(4) . .
Tb1 Tb2 O1 Ag3 -87.0(4) 4_575 .
N6 Ag3 O1 C1 165.7(5) 2_544 .
N1 Ag3 O1 C1 -7.6(5) . .
Ag2 Ag3 O1 C1 -105.2(5) 3_665 .
N6 Ag3 O1 Tb2 42.2(5) 2_544 .
N1 Ag3 O1 Tb2 -131.1(4) . .
Ag2 Ag3 O1 Tb2 131.2(4) 3_665 .
O13 Tb1 O2 C1 -4.1(7) . .
O3 Tb1 O2 C1 57.9(7) . .
O6 Tb1 O2 C1 -142.7(7) . .
O1W Tb1 O2 C1 -58.6(7) . .
O7 Tb1 O2 C1 -104.0(7) . .
O10 Tb1 O2 C1 118.9(6) . .
O12 Tb1 O2 C1 142.3(7) . .
Tb2 Tb1 O2 C1 -38.9(8) 4_576 .
O13 Tb1 O2 Tb2 137.6(2) . .
O3 Tb1 O2 Tb2 -160.4(3) . .
O6 Tb1 O2 Tb2 -1.0(2) . .
O1W Tb1 O2 Tb2 83.1(2) . .
O7 Tb1 O2 Tb2 37.7(4) . .
O10 Tb1 O2 Tb2 -99.4(3) . .
O12 Tb1 O2 Tb2 -76.0(2) . .
Tb2 Tb1 O2 Tb2 102.8(2) 4_576 .
O13 Tb2 O2 C1 -144.4(5) 4_575 .
O2W Tb2 O2 C1 -127.9(5) . .
O11 Tb2 O2 C1 36.3(5) 4_475 .
O5 Tb2 O2 C1 138.4(4) . .
O1 Tb2 O2 C1 -7.2(4) . .
O9 Tb2 O2 C1 74.2(4) 4_475 .
O7 Tb2 O2 C1 -56.0(4) 4_575 .
O6 Tb2 O2 C1 155.9(5) . .
Tb1 Tb2 O2 C1 -89.5(4) 4_575 .
O13 Tb2 O2 Tb1 60.5(5) 4_575 .
O2W Tb2 O2 Tb1 77.0(2) . .
O11 Tb2 O2 Tb1 -118.8(2) 4_475 .
O5 Tb2 O2 Tb1 -16.6(3) . .
O1 Tb2 O2 Tb1 -162.3(3) . .
O9 Tb2 O2 Tb1 -80.8(3) 4_475 .
O7 Tb2 O2 Tb1 149.0(2) 4_575 .
O6 Tb2 O2 Tb1 0.85(19) . .
Tb1 Tb2 O2 Tb1 115.5(2) 4_575 .
O13 Tb1 O3 C4 50.3(7) . .
O6 Tb1 O3 C4 -111.8(7) . .
O2 Tb1 O3 C4 -83.1(7) . .
O1W Tb1 O3 C4 -19.1(8) . .
O7 Tb1 O3 C4 76.7(8) . .
O10 Tb1 O3 C4 132.6(7) . .
O12 Tb1 O3 C4 -161.5(8) . .
Tb2 Tb1 O3 C4 60.8(7) 4_576 .
O13 Tb2 O5 C11 -135.9(6) 4_575 .
O2W Tb2 O5 C11 -59.9(6) . .
O11 Tb2 O5 C11 145.6(6) 4_475 .
O1 Tb2 O5 C11 60.2(6) . .
O9 Tb2 O5 C11 81.6(6) 4_475 .
O7 Tb2 O5 C11 -144.2(5) 4_575 .
O2 Tb2 O5 C11 15.2(6) . .
O6 Tb2 O5 C11 -5.3(5) . .
Tb1 Tb2 O5 C11 -137.0(5) 4_575 .
O13 Tb2 O5 Ag1 53.2(4) 4_575 2_554
O2W Tb2 O5 Ag1 129.2(4) . 2_554
O11 Tb2 O5 Ag1 -25.3(5) 4_475 2_554
O1 Tb2 O5 Ag1 -110.8(4) . 2_554
O9 Tb2 O5 Ag1 -89.3(5) 4_475 2_554
O7 Tb2 O5 Ag1 44.9(6) 4_575 2_554
O2 Tb2 O5 Ag1 -155.7(4) . 2_554
O6 Tb2 O5 Ag1 -176.2(6) . 2_554
Tb1 Tb2 O5 Ag1 52.1(5) 4_575 2_554
O13 Tb1 O6 C11 -9.2(12) . .
O3 Tb1 O6 C11 142.3(10) . .
O2 Tb1 O6 C11 112.9(11) . .
O1W Tb1 O6 C11 37.6(11) . .
O7 Tb1 O6 C11 -42.7(11) . .
O10 Tb1 O6 C11 -111.9(11) . .
O12 Tb1 O6 C11 -165.2(11) . .
Tb2 Tb1 O6 C11 -29.9(11) 4_576 .
O13 Tb1 O6 Tb2 -121.3(3) . .
O3 Tb1 O6 Tb2 30.2(4) . .
O2 Tb1 O6 Tb2 0.74(17) . .
O1W Tb1 O6 Tb2 -74.5(2) . .
O7 Tb1 O6 Tb2 -154.9(2) . .
O10 Tb1 O6 Tb2 135.99(19) . .
O12 Tb1 O6 Tb2 82.7(2) . .
Tb2 Tb1 O6 Tb2 -142.02(12) 4_576 .
O13 Tb2 O6 C11 53.5(5) 4_575 .
O2W Tb2 O6 C11 125.8(5) . .
O11 Tb2 O6 C11 -34.8(5) 4_475 .
O5 Tb2 O6 C11 5.1(5) . .
O1 Tb2 O6 C11 -137.3(5) . .
O9 Tb2 O6 C11 -72.1(5) 4_475 .
O7 Tb2 O6 C11 123.5(5) 4_575 .
O2 Tb2 O6 C11 -151.4(5) . .
Tb1 Tb2 O6 C11 74.2(5) 4_575 .
O13 Tb2 O6 Tb1 -155.9(2) 4_575 .
O2W Tb2 O6 Tb1 -83.6(2) . .
O11 Tb2 O6 Tb1 115.8(2) 4_475 .
O5 Tb2 O6 Tb1 155.7(3) . .
O1 Tb2 O6 Tb1 13.4(3) . .
O9 Tb2 O6 Tb1 78.5(2) 4_475 .
O7 Tb2 O6 Tb1 -85.8(4) 4_575 .
O2 Tb2 O6 Tb1 -0.77(17) . .
Tb1 Tb2 O6 Tb1 -135.20(14) 4_575 .
O13 Tb1 O7 C14 165.2(7) . .
O3 Tb1 O7 C14 137.4(6) . .
O6 Tb1 O7 C14 -36.7(6) . .
O2 Tb1 O7 C14 -73.2(7) . .
O1W Tb1 O7 C14 -117.1(6) . .
O10 Tb1 O7 C14 78.9(6) . .
O12 Tb1 O7 C14 25.9(7) . .
Tb2 Tb1 O7 C14 162.2(7) 4_576 .
O13 Tb1 O7 Tb2 3.04(16) . 4_576
O3 Tb1 O7 Tb2 -24.8(4) . 4_576
O6 Tb1 O7 Tb2 161.1(2) . 4_576
O2 Tb1 O7 Tb2 124.6(2) . 4_576
O1W Tb1 O7 Tb2 80.7(2) . 4_576
O10 Tb1 O7 Tb2 -83.3(2) . 4_576
O12 Tb1 O7 Tb2 -136.26(18) . 4_576
O13 Tb1 O10 C21 161.3(6) . .
O3 Tb1 O10 C21 81.6(6) . .
O6 Tb1 O10 C21 -57.2(6) . .
O2 Tb1 O10 C21 24.5(7) . .
O1W Tb1 O10 C21 -160.3(5) . .
O7 Tb1 O10 C21 -128.4(6) . .
O12 Tb1 O10 C21 -0.6(5) . .
Tb2 Tb1 O10 C21 -168.3(6) 4_576 .
O13 Tb1 O12 C22 -30.4(7) . .
O3 Tb1 O12 C22 -88.6(6) . .
O6 Tb1 O12 C22 124.7(6) . .
O2 Tb1 O12 C22 -163.2(6) . .
O1W Tb1 O12 C22 163.1(5) . .
O7 Tb1 O12 C22 58.0(6) . .
O10 Tb1 O12 C22 0.0(5) . .
Tb2 Tb1 O12 C22 17.8(7) 4_576 .
O3 Tb1 O13 Tb2 160.2(3) . 4_576
O6 Tb1 O13 Tb2 -39.2(4) . 4_576
O2 Tb1 O13 Tb2 -140.6(2) . 4_576
O1W Tb1 O13 Tb2 -87.1(2) . 4_576
O7 Tb1 O13 Tb2 -3.7(2) . 4_576
O10 Tb1 O13 Tb2 73.7(2) . 4_576
O12 Tb1 O13 Tb2 101.5(3) . 4_576
N6 Ag3 N1 C5 37.6(14) 2_544 .
O1 Ag3 N1 C5 -165.2(7) . .
Ag2 Ag3 N1 C5 -95.0(7) 3_665 .
N6 Ag3 N1 C2 -160.2(9) 2_544 .
O1 Ag3 N1 C2 -3.0(5) . .
Ag2 Ag3 N1 C2 67.2(5) 3_665 .
Ag3 Ag2 N2 C5 114.0(7) 3_665 .
Ag3 Ag2 N2 C3 -73.7(5) 3_665 .
N5 Ag1 N3 C10 30.4(16) 2_544 .
O5 Ag1 N3 C10 162.9(5) 2_544 .
N5 Ag1 N3 C9 -130.1(11) 2_544 .
O5 Ag1 N3 C9 2.4(7) 2_544 .
Tb2 O1 C1 O2 -12.9(7) . .
Ag3 O1 C1 O2 -161.4(5) . .
Tb2 O1 C1 C2 165.3(6) . .
Ag3 O1 C1 C2 16.9(8) . .
Tb1 O2 C1 O1 161.3(5) . .
Tb2 O2 C1 O1 12.7(7) . .
Tb1 O2 C1 C2 -16.9(11) . .
Tb2 O2 C1 C2 -165.5(6) . .
C5 N1 C2 C3 0.5(8) . .
Ag3 N1 C2 C3 -166.1(5) . .
C5 N1 C2 C1 179.4(7) . .
Ag3 N1 C2 C1 12.8(9) . .
O1 C1 C2 N1 -21.4(11) . .
O2 C1 C2 N1 156.9(7) . .
O1 C1 C2 C3 157.2(8) . .
O2 C1 C2 C3 -24.6(13) . .
C5 N2 C3 C2 -1.7(8) . .
Ag2 N2 C3 C2 -176.3(5) . .
C5 N2 C3 C4 -173.0(7) . .
Ag2 N2 C3 C4 12.4(9) . .
N1 C2 C3 N2 0.8(9) . .
C1 C2 C3 N2 -177.8(8) . .
N1 C2 C3 C4 170.7(7) . .
C1 C2 C3 C4 -7.9(15) . .
Tb1 O3 C4 O4 -133.5(7) . .
Tb1 O3 C4 C3 50.7(10) . .
N2 C3 C4 O4 14.9(11) . .
C2 C3 C4 O4 -154.1(8) . .
N2 C3 C4 O3 -169.0(7) . .
C2 C3 C4 O3 21.9(12) . .
C2 N1 C5 N2 -1.6(9) . .
Ag3 N1 C5 N2 162.1(5) . .
C2 N1 C5 C6 -179.9(7) . .
Ag3 N1 C5 C6 -16.2(12) . .
C3 N2 C5 N1 2.1(9) . .
Ag2 N2 C5 N1 175.2(5) . .
C3 N2 C5 C6 -179.6(7) . .
Ag2 N2 C5 C6 -6.6(12) . .
N1 C5 C6 C10 -9.0(12) . .
N2 C5 C6 C10 173.0(7) . .
N1 C5 C6 C7 171.2(8) . .
N2 C5 C6 C7 -6.8(12) . .
C10 C6 C7 C8 1.1(12) . .
C5 C6 C7 C8 -179.1(8) . .
C6 C7 C8 C9 1.3(13) . .
C10 N3 C9 C8 -2.9(13) . .
Ag1 N3 C9 C8 157.6(7) . .
C7 C8 C9 N3 -0.4(14) . .
C9 N3 C10 C6 5.5(12) . .
Ag1 N3 C10 C6 -155.6(7) . .
C7 C6 C10 N3 -4.6(12) . .
C5 C6 C10 N3 175.6(7) . .
Tb2 O5 C11 O6 10.4(9) . .
Ag1 O5 C11 O6 -175.3(6) 2_554 .
Tb2 O5 C11 C12 -168.9(6) . .
Ag1 O5 C11 C12 5.4(9) 2_554 .
Tb1 O6 C11 O5 -126.9(10) . .
Tb2 O6 C11 O5 -8.4(8) . .
Tb1 O6 C11 C12 52.4(14) . .
Tb2 O6 C11 C12 170.9(7) . .
C15 N5 C12 C13 -0.4(9) . .
Ag1 N5 C12 C13 176.7(5) 2_554 .
C15 N5 C12 C11 -176.8(8) . .
Ag1 N5 C12 C11 0.3(10) 2_554 .
O5 C11 C12 N5 -4.5(13) . .
O6 C11 C12 N5 176.2(8) . .
O5 C11 C12 C13 -180.0(9) . .
O6 C11 C12 C13 0.7(15) . .
C15 N4 C13 C12 2.1(9) . .
Ag2 N4 C13 C12 -172.5(5) 2_655 .
C15 N4 C13 C14 -179.6(7) . .
Ag2 N4 C13 C14 5.8(11) 2_655 .
N5 C12 C13 N4 -1.1(10) . .
C11 C12 C13 N4 174.8(8) . .
N5 C12 C13 C14 -179.2(8) . .
C11 C12 C13 C14 -3.3(16) . .
Tb1 O7 C14 O8 -97.8(10) . .
Tb2 O7 C14 O8 60.4(11) 4_576 .
Tb1 O7 C14 C13 80.6(9) . .
Tb2 O7 C14 C13 -121.2(7) 4_576 .
N4 C13 C14 O8 -51.0(12) . .
C12 C13 C14 O8 126.9(10) . .
N4 C13 C14 O7 130.4(9) . .
C12 C13 C14 O7 -51.6(13) . .
C12 N5 C15 N4 1.7(10) . .
Ag1 N5 C15 N4 -174.8(5) 2_554 .
C12 N5 C15 C16 -174.2(8) . .
Ag1 N5 C15 C16 9.3(13) 2_554 .
C13 N4 C15 N5 -2.4(9) . .
Ag2 N4 C15 N5 171.4(5) 2_655 .
C13 N4 C15 C16 173.5(8) . .
Ag2 N4 C15 C16 -12.8(13) 2_655 .
N5 C15 C16 C17 -164.3(9) . .
N4 C15 C16 C17 20.3(14) . .
N5 C15 C16 C20 18.7(13) . .
N4 C15 C16 C20 -156.7(8) . .
C20 C16 C17 C18 -2.4(14) . .
C15 C16 C17 C18 -179.5(9) . .
C16 C17 C18 C19 -0.4(16) . .
C20 N6 C19 C18 2.3(14) . .
Ag3 N6 C19 C18 -173.7(7) 2_554 .
C17 C18 C19 N6 0.5(16) . .
C19 N6 C20 C16 -5.5(14) . .
Ag3 N6 C20 C16 170.8(7) 2_554 .
C17 C16 C20 N6 5.5(14) . .
C15 C16 C20 N6 -177.2(9) . .
Tb1 O10 C21 O9 179.8(6) . .
Tb1 O10 C21 C22 1.0(9) . .
Tb2 O9 C21 O10 170.5(6) 4_676 .
Tb2 O9 C21 C22 -10.7(9) 4_676 .
Tb2 O11 C22 O12 -168.4(6) 4_676 .
Tb2 O11 C22 C21 13.3(9) 4_676 .
Tb1 O12 C22 O11 -177.7(6) . .
Tb1 O12 C22 C21 0.5(9) . .
O10 C21 C22 O11 177.4(7) . .
O9 C21 C22 O11 -1.5(11) . .
O10 C21 C22 O12 -1.0(11) . .
O9 C21 C22 O12 -179.9(7) . .
