#------------------------------------------------------------------------------
#$Date: 2019-11-28 16:29:13 +0200 (Thu, 28 Nov 2019) $
#$Revision: 244108 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/82/7238299.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_7238299
loop_
_publ_author_name
'Chen, Man-Sheng'
'Su, Zhi'
'Chen, Min'
'Chen, Shui-Sheng'
'Li, Yi-Zhi'
'Sun, Wei-Yin'
_publ_section_title
;
 Three-dimensional lanthanide--silver heterometallic coordination
 polymers: syntheses, structures and properties
;
_journal_issue                   10
_journal_name_full               CrystEngComm
_journal_page_first              3267
_journal_paper_doi               10.1039/c005207h
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C28 H22 Ag N4 O13 Tb'
_chemical_formula_weight         889.30
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 110.8560(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.572(2)
_cell_length_b                   10.7584(8)
_cell_length_c                   20.6212(16)
_cell_measurement_reflns_used    7490
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.19
_cell_measurement_theta_min      2.73
_cell_volume                     5716.1(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0949
_diffrn_reflns_av_sigmaI/netI    0.0689
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14133
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    3.218
_exptl_absorpt_correction_T_max  0.7391
_exptl_absorpt_correction_T_min  0.5379
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_density_diffrn    2.053
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3424
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.420
_refine_diff_density_min         -1.801
_refine_diff_density_rms         0.214
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     429
_refine_ls_number_reflns         5147
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0471
_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)+(0.0989P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1302
_refine_ls_wR_factor_ref         0.1353
_reflns_number_gt                4547
_reflns_number_total             5147
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c005207h.txt
_cod_data_source_block           5
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        5716.0(8)
_cod_original_sg_symbol_H-M      'C2/c '
_cod_database_code               7238299
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -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
Ag1 Ag 0.48227(2) 0.55007(7) 0.16442(3) 0.0548(2) Uani 1 1 d .
Tb1 Tb 0.948981(9) 0.62394(2) 0.031190(13) 0.01440(14) Uani 1 1 d .
C1 C 0.9044(2) 0.6116(5) 0.1368(3) 0.0208(13) Uani 1 1 d .
C2 C 0.8814(2) 0.5936(6) 0.1918(3) 0.0209(12) Uani 1 1 d .
C3 C 0.9135(2) 0.5733(5) 0.2603(3) 0.0205(12) Uani 1 1 d .
H3 H 0.9494 0.5803 0.2734 0.025 Uiso 1 1 calc R
C4 C 0.8909(2) 0.5421(5) 0.3092(3) 0.0186(12) Uani 1 1 d .
C5 C 0.9237(2) 0.5219(5) 0.3840(3) 0.0198(12) Uani 1 1 d .
C6 C 0.8377(2) 0.5303(5) 0.2896(3) 0.0209(12) Uani 1 1 d .
H6 H 0.8231 0.5037 0.3215 0.025 Uiso 1 1 calc R
C7 C 0.8060(2) 0.5584(5) 0.2218(3) 0.0222(12) Uani 1 1 d .
C8 C 0.8280(2) 0.5902(6) 0.1732(3) 0.0242(13) Uani 1 1 d .
H8 H 0.8069 0.6092 0.1280 0.029 Uiso 1 1 calc R
C9 C 0.7241(2) 0.4731(6) 0.2236(3) 0.0294(14) Uani 1 1 d .
C10 C 0.6668(2) 0.4964(6) 0.2003(3) 0.0271(13) Uani 1 1 d .
C11 C 0.6342(3) 0.3958(7) 0.1909(4) 0.0345(16) Uani 1 1 d .
H11 H 0.6475 0.3155 0.1955 0.041 Uiso 1 1 calc R
C12 C 0.5822(3) 0.4148(7) 0.1747(4) 0.0376(16) Uani 1 1 d .
H12 H 0.5606 0.3458 0.1677 0.045 Uiso 1 1 calc R
C13 C 0.5924(3) 0.6252(7) 0.1764(4) 0.0387(19) Uani 1 1 d .
H13 H 0.5782 0.7046 0.1708 0.046 Uiso 1 1 calc R
C14 C 0.6454(3) 0.6138(6) 0.1926(4) 0.0314(16) Uani 1 1 d .
H14 H 0.6662 0.6840 0.1982 0.038 Uiso 1 1 calc R
C15 C 0.9105(2) 0.8663(5) 0.0088(3) 0.0188(12) Uani 1 1 d .
C16 C 0.8932(2) 0.9992(5) -0.0071(3) 0.0209(12) Uani 1 1 d .
C17 C 0.8414(2) 1.0304(5) -0.0336(3) 0.0222(12) Uani 1 1 d .
H17 H 0.8162 0.9686 -0.0453 0.027 Uiso 1 1 calc R
C18 C 0.8271(2) 1.1550(5) -0.0427(3) 0.0202(12) Uani 1 1 d .
C19 C 0.8652(2) 1.2467(5) -0.0235(3) 0.0249(13) Uani 1 1 d .
H19 H 0.8557 1.3301 -0.0281 0.030 Uiso 1 1 calc R
C20 C 0.9171(2) 1.2143(5) 0.0026(3) 0.0202(12) Uani 1 1 d .
C21 C 0.9319(2) 1.0906(5) 0.0098(3) 0.0198(12) Uani 1 1 d .
H21 H 0.9668 1.0687 0.0254 0.024 Uiso 1 1 calc R
C22 C 0.9582(2) 1.3134(5) 0.0283(3) 0.0201(12) Uani 1 1 d .
C23 C 0.7535(2) 1.2881(6) -0.1075(3) 0.0284(14) Uani 1 1 d .
C24 C 0.6969(2) 1.3171(6) -0.1247(3) 0.0237(13) Uani 1 1 d .
C25 C 0.6583(3) 1.2300(6) -0.1346(4) 0.0364(16) Uani 1 1 d .
H25 H 0.6664 1.1457 -0.1301 0.044 Uiso 1 1 calc R
C26 C 0.6080(3) 1.2683(7) -0.1511(4) 0.0401(17) Uani 1 1 d .
H26 H 0.5824 1.2082 -0.1582 0.048 Uiso 1 1 calc R
C27 C 0.6309(3) 1.4713(6) -0.1495(3) 0.0344(16) Uani 1 1 d .
H27 H 0.6216 1.5548 -0.1552 0.041 Uiso 1 1 calc R
C28 C 0.6824(3) 1.4407(6) -0.1332(3) 0.0312(15) Uani 1 1 d .
H28 H 0.7071 1.5025 -0.1279 0.037 Uiso 1 1 calc R
N1 N 0.5608(2) 0.5287(6) 0.1684(3) 0.0372(14) Uani 1 1 d .
N2 N 0.75138(18) 0.5577(5) 0.2015(3) 0.0264(12) Uani 1 1 d .
H2 H 0.7342 0.6145 0.1732 0.032 Uiso 1 1 calc R
N3 N 0.5939(2) 1.3877(5) -0.1575(3) 0.0320(13) Uani 1 1 d .
N4 N 0.77324(18) 1.1875(5) -0.0691(3) 0.0259(11) Uani 1 1 d .
H4 H 0.7520 1.1387 -0.0595 0.031 Uiso 1 1 calc R
O1 O 0.87595(17) 0.6072(4) 0.0736(2) 0.0297(10) Uani 1 1 d .
O2 O 0.95288(17) 0.6284(4) 0.1539(2) 0.0322(11) Uani 1 1 d .
O3 O 0.96663(16) 0.5755(4) 0.4063(2) 0.0299(10) Uani 1 1 d .
O4 O 0.90582(16) 0.4543(4) 0.4195(2) 0.0280(10) Uani 1 1 d .
O5 O 0.74334(19) 0.3835(4) 0.2610(3) 0.0412(13) Uani 1 1 d .
O6 O 0.88639(15) 0.7811(3) -0.0301(2) 0.0247(9) Uani 1 1 d .
O7 O 0.94986(17) 0.8445(4) 0.0619(2) 0.0291(10) Uani 1 1 d .
O8 O 1.00318(15) 1.2891(4) 0.0307(2) 0.0265(9) Uani 1 1 d .
O9 O 0.94435(16) 1.4122(4) 0.0475(2) 0.0291(10) Uani 1 1 d .
O10 O 0.7794(2) 1.3603(6) -0.1273(4) 0.0608(19) Uani 1 1 d .
O1W O 0.28374(19) 0.7699(5) 0.3902(3) 0.0511(14) Uani 1 1 d .
H1WA H 0.2659 0.7833 0.4156 0.061 Uiso 1 1 d R
H1WB H 0.3148 0.7548 0.4163 0.061 Uiso 1 1 d R
O2W O 0.2807(2) 0.0088(5) 0.5125(3) 0.0530(14) Uani 1 1 d .
H2WA H 0.3099 -0.0270 0.5312 0.064 Uiso 1 1 d R
H2WB H 0.2803 0.0436 0.4753 0.064 Uiso 1 1 d R
O3W O 0.5000 0.6744(6) 0.7500 0.051(2) Uani 1 2 d S
H3WA H 0.5294 0.6733 0.7826 0.061 Uiso 0.50 1 d PR
H3WB H 0.4853 0.7438 0.7501 0.061 Uiso 0.50 1 d PR
O4W O 0.2233(6) 0.8132(11) 0.4698(9) 0.090(5) Uani 0.50 1 d P
H4WB H 0.2273 0.8877 0.4845 0.108 Uiso 0.50 1 d PR
H4WA H 0.1959 0.8080 0.4340 0.108 Uiso 0.50 1 d PR
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'
Ag Ag -0.8971 1.1015 '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
N1 Ag1 N3 168.0(2) . 5_675
N1 Ag1 Ag1 92.74(16) . 2_655
N3 Ag1 Ag1 88.94(16) 5_675 2_655
O3 Tb1 O9 77.94(16) 2_755 1_545
O3 Tb1 O8 74.88(15) 2_755 5_775
O9 Tb1 O8 123.09(15) 1_545 5_775
O3 Tb1 O4 122.18(15) 2_755 6_565
O9 Tb1 O4 75.76(15) 1_545 6_565
O8 Tb1 O4 78.13(15) 5_775 6_565
O3 Tb1 O6 147.84(14) 2_755 .
O9 Tb1 O6 134.15(14) 1_545 .
O8 Tb1 O6 82.60(14) 5_775 .
O4 Tb1 O6 73.71(14) 6_565 .
O3 Tb1 O7 99.24(15) 2_755 .
O9 Tb1 O7 155.63(18) 1_545 .
O8 Tb1 O7 78.32(15) 5_775 .
O4 Tb1 O7 123.81(14) 6_565 .
O6 Tb1 O7 53.14(14) . .
O3 Tb1 O1 125.37(15) 2_755 .
O9 Tb1 O1 77.43(15) 1_545 .
O8 Tb1 O1 156.00(14) 5_775 .
O4 Tb1 O1 97.41(15) 6_565 .
O6 Tb1 O1 73.56(14) . .
O7 Tb1 O1 85.06(15) . .
O3 Tb1 O2 76.38(15) 2_755 .
O9 Tb1 O2 81.71(16) 1_545 .
O8 Tb1 O2 135.94(15) 5_775 .
O4 Tb1 O2 145.92(15) 6_565 .
O6 Tb1 O2 106.32(14) . .
O7 Tb1 O2 74.16(15) . .
O1 Tb1 O2 52.32(15) . .
O1 C1 O2 119.9(6) . .
O1 C1 C2 120.3(5) . .
O2 C1 C2 119.8(6) . .
C8 C2 C3 120.5(5) . .
C8 C2 C1 119.3(5) . .
C3 C2 C1 120.1(5) . .
C2 C3 C4 118.8(5) . .
C2 C3 H3 120.6 . .
C4 C3 H3 120.6 . .
C6 C4 C3 120.6(5) . .
C6 C4 C5 118.5(5) . .
C3 C4 C5 120.9(5) . .
O3 C5 O4 125.0(6) . .
O3 C5 C4 117.3(5) . .
O4 C5 C4 117.7(5) . .
C4 C6 C7 119.6(5) . .
C4 C6 H6 120.2 . .
C7 C6 H6 120.2 . .
C8 C7 C6 120.0(5) . .
C8 C7 N2 118.9(5) . .
C6 C7 N2 121.1(5) . .
C2 C8 C7 120.2(6) . .
C2 C8 H8 119.9 . .
C7 C8 H8 119.9 . .
O5 C9 N2 124.7(6) . .
O5 C9 C10 120.1(6) . .
N2 C9 C10 115.2(5) . .
C11 C10 C14 118.3(6) . .
C11 C10 C9 118.3(6) . .
C14 C10 C9 123.3(6) . .
C12 C11 C10 119.5(7) . .
C12 C11 H11 120.3 . .
C10 C11 H11 120.3 . .
N1 C12 C11 123.1(7) . .
N1 C12 H12 118.5 . .
C11 C12 H12 118.5 . .
N1 C13 C14 123.4(6) . .
N1 C13 H13 118.3 . .
C14 C13 H13 118.3 . .
C10 C14 C13 118.7(6) . .
C10 C14 H14 120.6 . .
C13 C14 H14 120.6 . .
O6 C15 O7 121.4(5) . .
O6 C15 C16 120.3(5) . .
O7 C15 C16 118.3(5) . .
C17 C16 C21 121.2(5) . .
C17 C16 C15 121.4(5) . .
C21 C16 C15 117.3(5) . .
C16 C17 C18 119.5(5) . .
C16 C17 H17 120.3 . .
C18 C17 H17 120.3 . .
C19 C18 C17 119.8(5) . .
C19 C18 N4 120.7(5) . .
C17 C18 N4 119.5(5) . .
C20 C19 C18 120.2(5) . .
C20 C19 H19 119.9 . .
C18 C19 H19 119.9 . .
C21 C20 C19 120.6(5) . .
C21 C20 C22 119.0(5) . .
C19 C20 C22 120.2(5) . .
C20 C21 C16 118.6(5) . .
C20 C21 H21 120.7 . .
C16 C21 H21 120.7 . .
O9 C22 O8 125.5(6) . .
O9 C22 C20 116.0(5) . .
O8 C22 C20 118.5(5) . .
O10 C23 N4 123.3(6) . .
O10 C23 C24 118.1(6) . .
N4 C23 C24 118.5(5) . .
C25 C24 C28 117.7(6) . .
C25 C24 C23 125.1(6) . .
C28 C24 C23 117.2(6) . .
C26 C25 C24 119.5(6) . .
C26 C25 H25 120.3 . .
C24 C25 H25 120.3 . .
N3 C26 C25 123.2(6) . .
N3 C26 H26 118.4 . .
C25 C26 H26 118.4 . .
N3 C27 C28 123.3(6) . .
N3 C27 H27 118.4 . .
C28 C27 H27 118.4 . .
C27 C28 C24 119.1(6) . .
C27 C28 H28 120.4 . .
C24 C28 H28 120.4 . .
C13 N1 C12 116.9(6) . .
C13 N1 Ag1 122.0(5) . .
C12 N1 Ag1 120.2(4) . .
C9 N2 C7 124.3(5) . .
C9 N2 H2 117.9 . .
C7 N2 H2 117.9 . .
C27 N3 C26 117.3(6) . .
C27 N3 Ag1 119.0(4) . 5_675
C26 N3 Ag1 123.1(5) . 5_675
C23 N4 C18 124.9(5) . .
C23 N4 H4 117.6 . .
C18 N4 H4 117.6 . .
C1 O1 Tb1 94.5(4) . .
C1 O2 Tb1 93.2(4) . .
C5 O3 Tb1 162.9(4) . 2_755
C5 O4 Tb1 128.0(4) . 6_566
C15 O6 Tb1 93.4(3) . .
C15 O7 Tb1 91.7(3) . .
C22 O8 Tb1 129.8(4) . 5_775
C22 O9 Tb1 139.3(4) . 1_565
H1WA O1W H1WB 108.5 . .
H2WA O2W H2WB 108.4 . .
H3WA O3W H3WB 109.5 . .
H4WB O4W H4WA 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N1 2.149(5) .
Ag1 N3 2.161(5) 5_675
Ag1 Ag1 3.3099(14) 2_655
Tb1 O3 2.283(4) 2_755
Tb1 O9 2.312(4) 1_545
Tb1 O8 2.333(4) 5_775
Tb1 O4 2.340(4) 6_565
Tb1 O6 2.425(4) .
Tb1 O7 2.454(4) .
Tb1 O1 2.471(4) .
Tb1 O2 2.495(5) .
C1 O1 1.261(8) .
C1 O2 1.269(8) .
C1 C2 1.495(8) .
C2 C8 1.382(8) .
C2 C3 1.391(8) .
C3 C4 1.403(8) .
C3 H3 0.9300 .
C4 C6 1.382(8) .
C4 C5 1.501(8) .
C5 O3 1.247(7) .
C5 O4 1.252(7) .
C6 C7 1.393(8) .
C6 H6 0.9300 .
C7 C8 1.386(8) .
C7 N2 1.412(7) .
C8 H8 0.9300 .
C9 O5 1.230(8) .
C9 N2 1.358(8) .
C9 C10 1.501(8) .
C10 C11 1.375(9) .
C10 C14 1.379(9) .
C11 C12 1.366(9) .
C11 H11 0.9300 .
C12 N1 1.346(9) .
C12 H12 0.9300 .
C13 N1 1.328(9) .
C13 C14 1.382(10) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 O6 1.244(7) .
C15 O7 1.258(7) .
C15 C16 1.506(7) .
C16 C17 1.376(8) .
C16 C21 1.402(8) .
C17 C18 1.391(8) .
C17 H17 0.9300 .
C18 C19 1.391(8) .
C18 N4 1.432(7) .
C19 C20 1.383(8) .
C19 H19 0.9300 .
C20 C21 1.384(8) .
C20 C22 1.509(8) .
C21 H21 0.9300 .
C22 O9 1.242(8) .
C22 O8 1.250(7) .
C23 O10 1.221(8) .
C23 N4 1.337(8) .
C23 C24 1.504(8) .
C24 C25 1.377(9) .
C24 C28 1.381(9) .
C25 C26 1.370(10) .
C25 H25 0.9300 .
C26 N3 1.335(9) .
C26 H26 0.9300 .
C27 N3 1.324(9) .
C27 C28 1.379(9) .
C27 H27 0.9300 .
C28 H28 0.9300 .
N2 H2 0.8600 .
N3 Ag1 2.161(5) 5_675
N4 H4 0.8600 .
O3 Tb1 2.283(4) 2_755
O4 Tb1 2.340(4) 6_566
O8 Tb1 2.333(4) 5_775
O9 Tb1 2.312(4) 1_565
O1W H1WA 0.8500 .
O1W H1WB 0.8500 .
O2W H2WA 0.8502 .
O2W H2WB 0.8500 .
O3W H3WA 0.8501 .
O3W H3WB 0.8500 .
O4W H4WB 0.8500 .
O4W H4WA 0.8499 .
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 C1 C2 C8 -9.4(9) . .
O2 C1 C2 C8 172.4(6) . .
O1 C1 C2 C3 166.9(5) . .
O2 C1 C2 C3 -11.3(9) . .
C8 C2 C3 C4 3.7(9) . .
C1 C2 C3 C4 -172.5(5) . .
C2 C3 C4 C6 0.8(8) . .
C2 C3 C4 C5 -178.7(5) . .
C6 C4 C5 O3 -153.7(5) . .
C3 C4 C5 O3 25.8(8) . .
C6 C4 C5 O4 25.3(7) . .
C3 C4 C5 O4 -155.3(5) . .
C3 C4 C6 C7 -4.7(8) . .
C5 C4 C6 C7 174.8(5) . .
C4 C6 C7 C8 4.2(9) . .
C4 C6 C7 N2 -174.5(5) . .
C3 C2 C8 C7 -4.2(10) . .
C1 C2 C8 C7 172.1(6) . .
C6 C7 C8 C2 0.2(9) . .
N2 C7 C8 C2 179.0(6) . .
O5 C9 C10 C11 -31.1(9) . .
N2 C9 C10 C11 149.9(6) . .
O5 C9 C10 C14 144.2(7) . .
N2 C9 C10 C14 -34.8(9) . .
C14 C10 C11 C12 -0.3(10) . .
C9 C10 C11 C12 175.2(6) . .
C10 C11 C12 N1 -1.1(11) . .
C11 C10 C14 C13 0.6(10) . .
C9 C10 C14 C13 -174.7(6) . .
N1 C13 C14 C10 0.6(11) . .
O6 C15 C16 C17 38.1(9) . .
O7 C15 C16 C17 -142.4(6) . .
O6 C15 C16 C21 -145.3(6) . .
O7 C15 C16 C21 34.2(8) . .
C21 C16 C17 C18 -1.2(9) . .
C15 C16 C17 C18 175.3(5) . .
C16 C17 C18 C19 -1.5(9) . .
C16 C17 C18 N4 -178.9(5) . .
C17 C18 C19 C20 2.1(9) . .
N4 C18 C19 C20 179.4(5) . .
C18 C19 C20 C21 0.1(9) . .
C18 C19 C20 C22 -175.4(5) . .
C19 C20 C21 C16 -2.7(9) . .
C22 C20 C21 C16 172.9(5) . .
C17 C16 C21 C20 3.3(9) . .
C15 C16 C21 C20 -173.3(5) . .
C21 C20 C22 O9 -151.2(6) . .
C19 C20 C22 O9 24.3(8) . .
C21 C20 C22 O8 26.7(8) . .
C19 C20 C22 O8 -157.7(6) . .
O10 C23 C24 C25 150.2(7) . .
N4 C23 C24 C25 -32.5(10) . .
O10 C23 C24 C28 -27.7(9) . .
N4 C23 C24 C28 149.6(6) . .
C28 C24 C25 C26 -1.1(10) . .
C23 C24 C25 C26 -179.0(7) . .
C24 C25 C26 N3 -0.8(12) . .
N3 C27 C28 C24 0.1(10) . .
C25 C24 C28 C27 1.4(9) . .
C23 C24 C28 C27 179.4(6) . .
C14 C13 N1 C12 -2.0(11) . .
C14 C13 N1 Ag1 167.0(6) . .
C11 C12 N1 C13 2.2(11) . .
C11 C12 N1 Ag1 -167.0(6) . .
N3 Ag1 N1 C13 13.9(14) 5_675 .
Ag1 Ag1 N1 C13 -84.0(6) 2_655 .
N3 Ag1 N1 C12 -177.5(9) 5_675 .
Ag1 Ag1 N1 C12 84.7(5) 2_655 .
O5 C9 N2 C7 -4.0(10) . .
C10 C9 N2 C7 174.9(5) . .
C8 C7 N2 C9 142.4(6) . .
C6 C7 N2 C9 -38.9(9) . .
C28 C27 N3 C26 -1.9(11) . .
C28 C27 N3 Ag1 168.9(5) . 5_675
C25 C26 N3 C27 2.2(11) . .
C25 C26 N3 Ag1 -168.2(6) . 5_675
O10 C23 N4 C18 3.9(11) . .
C24 C23 N4 C18 -173.3(6) . .
C19 C18 N4 C23 33.3(9) . .
C17 C18 N4 C23 -149.4(6) . .
O2 C1 O1 Tb1 3.8(6) . .
C2 C1 O1 Tb1 -174.4(5) . .
O3 Tb1 O1 C1 21.9(4) 2_755 .
O9 Tb1 O1 C1 87.1(3) 1_545 .
O8 Tb1 O1 C1 -122.0(4) 5_775 .
O4 Tb1 O1 C1 160.6(3) 6_565 .
O6 Tb1 O1 C1 -128.8(4) . .
O7 Tb1 O1 C1 -75.9(3) . .
O2 Tb1 O1 C1 -2.1(3) . .
O1 C1 O2 Tb1 -3.7(5) . .
C2 C1 O2 Tb1 174.5(5) . .
O3 Tb1 O2 C1 -157.9(4) 2_755 .
O9 Tb1 O2 C1 -78.4(3) 1_545 .
O8 Tb1 O2 C1 151.6(3) 5_775 .
O4 Tb1 O2 C1 -29.6(5) 6_565 .
O6 Tb1 O2 C1 55.3(3) . .
O7 Tb1 O2 C1 98.2(3) . .
O1 Tb1 O2 C1 2.1(3) . .
O4 C5 O3 Tb1 29.3(18) . 2_755
C4 C5 O3 Tb1 -151.8(11) . 2_755
O3 C5 O4 Tb1 -11.3(8) . 6_566
C4 C5 O4 Tb1 169.8(4) . 6_566
O7 C15 O6 Tb1 -5.9(6) . .
C16 C15 O6 Tb1 173.6(5) . .
O3 Tb1 O6 C15 -32.2(5) 2_755 .
O9 Tb1 O6 C15 152.4(4) 1_545 .
O8 Tb1 O6 C15 -77.7(4) 5_775 .
O4 Tb1 O6 C15 -157.5(4) 6_565 .
O7 Tb1 O6 C15 3.2(3) . .
O1 Tb1 O6 C15 99.5(4) . .
O2 Tb1 O6 C15 58.1(4) . .
O6 C15 O7 Tb1 5.8(6) . .
C16 C15 O7 Tb1 -173.7(5) . .
O3 Tb1 O7 C15 158.6(4) 2_755 .
O9 Tb1 O7 C15 -120.2(4) 1_545 .
O8 Tb1 O7 C15 86.3(4) 5_775 .
O4 Tb1 O7 C15 19.3(4) 6_565 .
O6 Tb1 O7 C15 -3.2(3) . .
O1 Tb1 O7 C15 -76.3(4) . .
O2 Tb1 O7 C15 -128.5(4) . .
O9 C22 O8 Tb1 -67.2(8) . 5_775
C20 C22 O8 Tb1 115.1(5) . 5_775
O8 C22 O9 Tb1 51.1(9) . 1_565
C20 C22 O9 Tb1 -131.1(5) . 1_565
