#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:11:53 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179618 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/82/4508254.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_4508254
loop_
_publ_author_name
'Chen, Rui-Ling'
'Chen, Xue-Yun'
'Zheng, Sheng-Run'
'Fan, Jun'
'Zhang, Wei-Guang'
_publ_section_title
;
 Construction of Ag(I)--Ln(III) Heterometallic Coordination Polymers Based
 on Binuclear Ag2(DSPT)2(H2DSPT =
 4′-(2,4-Disulfophenyl)-2,2′:6′2″-terpyridine)
 Rings and Ln(III) Dimeric Molecular Building Blocks
;
_journal_issue                   10
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4428
_journal_paper_doi               10.1021/cg400926q
_journal_volume                  13
_journal_year                    2013
_chemical_formula_sum            'C29 H23 Ag N3 O13 S2 Sm'
_chemical_formula_weight         943.84
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.234(5)
_cell_angle_beta                 99.486(5)
_cell_angle_gamma                105.651(5)
_cell_formula_units_Z            2
_cell_length_a                   8.948(4)
_cell_length_b                   10.202(4)
_cell_length_c                   18.399(8)
_cell_measurement_reflns_used    2417
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.06
_cell_measurement_theta_min      2.25
_cell_volume                     1589.0(12)
_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, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.955
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0418
_diffrn_reflns_av_sigmaI/netI    0.0857
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            9131
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    2.650
_exptl_absorpt_correction_T_max  0.7416
_exptl_absorpt_correction_T_min  0.5809
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.973
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             926
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         3.332
_refine_diff_density_min         -2.898
_refine_diff_density_rms         0.220
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         6630
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0852
_refine_ls_R_factor_gt           0.0634
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0998P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1545
_refine_ls_wR_factor_ref         0.1736
_reflns_number_gt                5014
_reflns_number_total             6630
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg400926q_si_001.cif
_cod_data_source_block           AgSm
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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      P-1
_cod_database_code               4508254
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Sm1 Sm 0.18352(4) 0.38914(4) 0.02058(2) 0.02690(15) Uani 1 1 d .
Ag1 Ag 0.20311(10) 0.04572(9) 0.42481(5) 0.0615(3) Uani 1 1 d .
S1 S 0.3124(3) 0.3177(3) 0.33055(13) 0.0498(6) Uani 1 1 d .
S2 S 0.1324(2) 0.6641(2) 0.14464(11) 0.0298(4) Uani 1 1 d .
O1 O 0.3920(10) 0.3738(9) 0.4033(4) 0.075(2) Uani 1 1 d .
O2 O 0.2203(9) 0.1738(8) 0.3264(4) 0.063(2) Uani 1 1 d .
O3 O 0.4135(8) 0.3399(8) 0.2751(4) 0.0565(18) Uani 1 1 d .
O4 O 0.2282(7) 0.7958(6) 0.1792(3) 0.0412(14) Uani 1 1 d .
O5 O 0.2196(6) 0.5957(6) 0.1022(3) 0.0337(12) Uani 1 1 d .
O6 O -0.0192(7) 0.6688(6) 0.1021(3) 0.0362(13) Uani 1 1 d .
O9 O 0.1407(6) 0.1424(5) -0.0137(3) 0.0337(12) Uani 1 1 d .
O10 O 0.3453(7) 0.2852(6) -0.0464(4) 0.0411(14) Uani 1 1 d .
O8 O 0.2860(6) -0.4225(6) -0.0515(3) 0.0345(13) Uani 1 1 d .
O7 O 0.0684(6) -0.3634(6) -0.0451(3) 0.0339(13) Uani 1 1 d .
N1 N -0.3895(10) -0.0993(9) 0.4646(4) 0.049(2) Uani 1 1 d .
N2 N -0.1306(10) 0.1210(8) 0.4916(4) 0.0442(18) Uani 1 1 d .
N3 N 0.0449(10) 0.1290(9) 0.6272(4) 0.052(2) Uani 1 1 d .
C1 C -0.5205(13) -0.1995(12) 0.4555(6) 0.057(3) Uani 1 1 d .
H1A H -0.5302 -0.2637 0.4903 0.069 Uiso 1 1 calc R
C2 C -0.6470(13) -0.2154(12) 0.3964(6) 0.060(3) Uani 1 1 d .
H2A H -0.7362 -0.2899 0.3909 0.072 Uiso 1 1 calc R
C3 C -0.6350(14) -0.1168(15) 0.3464(6) 0.070(4) Uani 1 1 d .
H3A H -0.7177 -0.1222 0.3074 0.084 Uiso 1 1 calc R
C4 C -0.4974(14) -0.0095(13) 0.3553(5) 0.062(3) Uani 1 1 d .
H4A H -0.4875 0.0583 0.3226 0.075 Uiso 1 1 calc R
C5 C -0.3737(12) -0.0043(11) 0.4142(5) 0.048(2) Uani 1 1 d .
C6 C -0.2219(11) 0.1050(10) 0.4237(5) 0.043(2) Uani 1 1 d .
C7 C -0.1742(13) 0.1874(11) 0.3700(5) 0.052(3) Uani 1 1 d .
H7A H -0.2403 0.1777 0.3243 0.063 Uiso 1 1 calc R
C8 C -0.0278(12) 0.2858(11) 0.3829(5) 0.050(2) Uani 1 1 d .
C9 C 0.0625(12) 0.2997(10) 0.4539(5) 0.051(2) Uani 1 1 d .
H9A H 0.1592 0.3661 0.4657 0.061 Uiso 1 1 calc R
C10 C 0.0086(12) 0.2154(11) 0.5066(5) 0.047(2) Uani 1 1 d .
C11 C 0.1049(12) 0.2265(11) 0.5844(5) 0.048(2) Uani 1 1 d .
C12 C 0.2409(12) 0.3285(11) 0.6090(6) 0.055(3) Uani 1 1 d .
H12A H 0.2785 0.3962 0.5789 0.066 Uiso 1 1 calc R
C13 C 0.3225(15) 0.3285(14) 0.6811(7) 0.074(4) Uani 1 1 d .
H13A H 0.4162 0.3957 0.6993 0.089 Uiso 1 1 calc R
C14 C 0.2631(16) 0.2294(13) 0.7237(7) 0.070(3) Uani 1 1 d .
H14A H 0.3161 0.2282 0.7715 0.083 Uiso 1 1 calc R
C15 C 0.1252(13) 0.1312(11) 0.6967(6) 0.057(3) Uani 1 1 d .
H15A H 0.0854 0.0641 0.7267 0.068 Uiso 1 1 calc R
C16 C 0.0181(12) 0.3765(10) 0.3252(5) 0.049(2) Uani 1 1 d .
C17 C 0.1642(11) 0.4050(10) 0.3013(5) 0.043(2) Uani 1 1 d .
C18 C 0.1980(11) 0.4963(9) 0.2485(5) 0.043(2) Uani 1 1 d .
H18A H 0.2971 0.5176 0.2352 0.051 Uiso 1 1 calc R
C19 C 0.0855(11) 0.5563(9) 0.2152(5) 0.0380(19) Uani 1 1 d .
C20 C -0.0630(12) 0.5261(10) 0.2352(5) 0.050(2) Uani 1 1 d .
H20A H -0.1400 0.5637 0.2119 0.060 Uiso 1 1 calc R
C21 C -0.0938(14) 0.4396(12) 0.2899(6) 0.064(3) Uani 1 1 d .
H21A H -0.1918 0.4219 0.3041 0.076 Uiso 1 1 calc R
C29 C 0.2631(9) 0.1626(8) -0.0423(4) 0.0307(17) Uani 1 1 d .
C25 C 0.3141(9) 0.0453(8) -0.0699(4) 0.0277(16) Uani 1 1 d .
C26 C 0.4384(9) 0.0637(8) -0.1075(5) 0.0361(18) Uani 1 1 d .
H26A H 0.4922 0.1514 -0.1164 0.043 Uiso 1 1 calc R
C27 C 0.4837(10) -0.0465(9) -0.1320(5) 0.043(2) Uani 1 1 d .
H27A H 0.5665 -0.0327 -0.1581 0.052 Uiso 1 1 calc R
C28 C 0.4072(10) -0.1770(9) -0.1182(5) 0.040(2) Uani 1 1 d .
H28A H 0.4387 -0.2507 -0.1349 0.048 Uiso 1 1 calc R
C23 C 0.2823(9) -0.1992(8) -0.0790(4) 0.0295(16) Uani 1 1 d .
C24 C 0.2343(9) -0.0868(8) -0.0562(4) 0.0317(17) Uani 1 1 d .
H24A H 0.1489 -0.1001 -0.0319 0.038 Uiso 1 1 calc R
C22 C 0.2072(9) -0.3368(8) -0.0583(4) 0.0289(16) Uani 1 1 d .
O1W O 0.2264(8) 0.2743(6) 0.1301(3) 0.0465(15) Uani 1 1 d .
H1WA H 0.2778 0.2809 0.1738 0.070 Uiso 1 1 d R
H1WB H 0.2335 0.2025 0.1074 0.070 Uiso 1 1 d R
O2W O 0.4561(6) 0.4864(5) 0.0852(3) 0.0332(12) Uani 1 1 d .
H2WA H 0.5046 0.5715 0.0866 0.050 Uiso 1 1 d R
H2WB H 0.5234 0.4425 0.0812 0.050 Uiso 1 1 d R
O3W O 0.0842(9) 0.0126(7) 0.1434(5) 0.074(2) Uani 1 1 d .
H3WA H 0.1072 -0.0498 0.1691 0.111 Uiso 1 1 d R
H3WB H 0.0067 -0.0261 0.1095 0.111 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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sm Sm -0.1638 3.4418 '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'
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
O7 Sm1 O1W 85.6(2) 2 .
O7 Sm1 O6 77.25(18) 2 2_565
O1W Sm1 O6 136.6(2) . 2_565
O7 Sm1 O8 116.77(18) 2 1_565
O1W Sm1 O8 147.2(2) . 1_565
O6 Sm1 O8 74.6(2) 2_565 1_565
O7 Sm1 O10 144.4(2) 2 .
O1W Sm1 O10 94.8(2) . .
O6 Sm1 O10 78.4(2) 2_565 .
O8 Sm1 O10 80.62(18) 1_565 .
O7 Sm1 O2W 137.59(18) 2 .
O1W Sm1 O2W 70.8(2) . .
O6 Sm1 O2W 142.99(19) 2_565 .
O8 Sm1 O2W 76.71(18) 1_565 .
O10 Sm1 O2W 74.27(19) . .
O7 Sm1 O5 77.73(19) 2 .
O1W Sm1 O5 87.4(2) . .
O6 Sm1 O5 126.03(17) 2_565 .
O8 Sm1 O5 75.43(19) 1_565 .
O10 Sm1 O5 137.84(19) . .
O2W Sm1 O5 66.79(17) . .
O7 Sm1 O9 94.82(19) 2 .
O1W Sm1 O9 70.3(2) . .
O6 Sm1 O9 71.86(18) 2_565 .
O8 Sm1 O9 126.56(18) 1_565 .
O10 Sm1 O9 52.81(18) . .
O2W Sm1 O9 108.74(17) . .
O5 Sm1 O9 157.07(19) . .
O7 Sm1 C29 120.2(2) 2 .
O1W Sm1 C29 80.9(2) . .
O6 Sm1 C29 74.29(19) 2_565 .
O8 Sm1 C29 104.6(2) 1_565 .
O10 Sm1 C29 26.6(2) . .
O2W Sm1 C29 91.0(2) . .
O5 Sm1 C29 157.4(2) . .
O9 Sm1 C29 26.2(2) . .
O2 Ag1 N1 123.4(3) . 2_556
O2 Ag1 N2 166.3(3) . 2_556
N1 Ag1 N2 70.3(3) 2_556 2_556
O2 Ag1 N3 98.2(3) . 2_556
N1 Ag1 N3 138.4(3) 2_556 2_556
N2 Ag1 N3 68.1(3) 2_556 2_556
O1 S1 O2 114.0(5) . .
O1 S1 O3 114.0(5) . .
O2 S1 O3 111.3(5) . .
O1 S1 C17 108.1(4) . .
O2 S1 C17 103.4(4) . .
O3 S1 C17 105.1(4) . .
O4 S2 O6 112.9(3) . .
O4 S2 O5 112.2(4) . .
O6 S2 O5 113.0(3) . .
O4 S2 C19 108.0(4) . .
O6 S2 C19 105.6(4) . .
O5 S2 C19 104.3(4) . .
S1 O2 Ag1 124.6(4) . .
S2 O5 Sm1 141.4(3) . .
S2 O6 Sm1 142.4(3) . 2_565
C29 O9 Sm1 93.5(5) . .
C29 O10 Sm1 94.1(4) . .
C22 O8 Sm1 114.4(5) . 1_545
C22 O7 Sm1 174.4(5) . 2
C1 N1 C5 118.8(9) . .
C1 N1 Ag1 123.4(7) . 2_556
C5 N1 Ag1 116.5(7) . 2_556
C10 N2 C6 120.3(8) . .
C10 N2 Ag1 120.6(6) . 2_556
C6 N2 Ag1 118.3(7) . 2_556
C11 N3 C15 118.3(9) . .
C11 N3 Ag1 118.4(6) . 2_556
C15 N3 Ag1 123.3(7) . 2_556
N1 C1 C2 123.7(11) . .
N1 C1 H1A 118.1 . .
C2 C1 H1A 118.1 . .
C3 C2 C1 118.0(11) . .
C3 C2 H2A 121.0 . .
C1 C2 H2A 121.0 . .
C2 C3 C4 119.0(10) . .
C2 C3 H3A 120.5 . .
C4 C3 H3A 120.5 . .
C5 C4 C3 119.4(11) . .
C5 C4 H4A 120.3 . .
C3 C4 H4A 120.3 . .
N1 C5 C4 120.9(10) . .
N1 C5 C6 118.0(8) . .
C4 C5 C6 121.1(10) . .
N2 C6 C7 120.6(10) . .
N2 C6 C5 114.8(8) . .
C7 C6 C5 124.6(9) . .
C6 C7 C8 121.0(9) . .
C6 C7 H7A 119.5 . .
C8 C7 H7A 119.5 . .
C7 C8 C9 116.7(9) . .
C7 C8 C16 119.8(9) . .
C9 C8 C16 123.3(10) . .
C10 C9 C8 120.3(10) . .
C10 C9 H9A 119.9 . .
C8 C9 H9A 119.9 . .
N2 C10 C9 121.1(9) . .
N2 C10 C11 117.1(8) . .
C9 C10 C11 121.7(10) . .
N3 C11 C12 122.4(9) . .
N3 C11 C10 115.0(9) . .
C12 C11 C10 122.7(10) . .
C11 C12 C13 118.4(11) . .
C11 C12 H12A 120.8 . .
C13 C12 H12A 120.8 . .
C14 C13 C12 119.1(12) . .
C14 C13 H13A 120.4 . .
C12 C13 H13A 120.4 . .
C13 C14 C15 120.0(11) . .
C13 C14 H14A 120.0 . .
C15 C14 H14A 120.0 . .
N3 C15 C14 121.8(11) . .
N3 C15 H15A 119.1 . .
C14 C15 H15A 119.1 . .
C17 C16 C21 116.8(9) . .
C17 C16 C8 125.4(9) . .
C21 C16 C8 117.8(9) . .
C18 C17 C16 120.8(8) . .
C18 C17 S1 115.5(7) . .
C16 C17 S1 123.5(7) . .
C17 C18 C19 120.6(9) . .
C17 C18 H18A 119.7 . .
C19 C18 H18A 119.7 . .
C20 C19 C18 120.1(8) . .
C20 C19 S2 121.5(7) . .
C18 C19 S2 118.3(7) . .
C21 C20 C19 119.0(9) . .
C21 C20 H20A 120.5 . .
C19 C20 H20A 120.5 . .
C20 C21 C16 122.5(10) . .
C20 C21 H21A 118.8 . .
C16 C21 H21A 118.8 . .
O9 C29 O10 119.4(7) . .
O9 C29 C25 120.6(7) . .
O10 C29 C25 119.9(7) . .
O9 C29 Sm1 60.2(4) . .
O10 C29 Sm1 59.3(4) . .
C25 C29 Sm1 175.5(5) . .
C26 C25 C24 119.4(7) . .
C26 C25 C29 121.9(7) . .
C24 C25 C29 118.7(7) . .
C25 C26 C27 120.7(8) . .
C25 C26 H26A 119.6 . .
C27 C26 H26A 119.6 . .
C28 C27 C26 120.5(8) . .
C28 C27 H27A 119.8 . .
C26 C27 H27A 119.8 . .
C27 C28 C23 120.4(8) . .
C27 C28 H28A 119.8 . .
C23 C28 H28A 119.8 . .
C24 C23 C28 118.7(8) . .
C24 C23 C22 120.1(7) . .
C28 C23 C22 121.2(7) . .
C23 C24 C25 120.4(7) . .
C23 C24 H24A 119.8 . .
C25 C24 H24A 119.8 . .
O8 C22 O7 121.9(7) . .
O8 C22 C23 118.9(7) . .
O7 C22 C23 119.1(7) . .
Sm1 O1W H1WA 145.9 . .
Sm1 O1W H1WB 95.0 . .
H1WA O1W H1WB 107.7 . .
Sm1 O2W H2WA 122.4 . .
Sm1 O2W H2WB 118.8 . .
H2WA O2W H2WB 106.9 . .
H3WA O3W H3WB 107.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 O7 2.319(5) 2
Sm1 O1W 2.399(6) .
Sm1 O6 2.437(5) 2_565
Sm1 O8 2.437(6) 1_565
Sm1 O10 2.459(5) .
Sm1 O2W 2.448(5) .
Sm1 O5 2.455(5) .
Sm1 O9 2.481(5) .
Sm1 C29 2.853(8) .
Ag1 O2 2.276(7) .
Ag1 N1 2.350(8) 2_556
Ag1 N2 2.369(8) 2_556
Ag1 N3 2.460(9) 2_556
S1 O1 1.427(7) .
S1 O2 1.469(8) .
S1 O3 1.457(7) .
S1 C17 1.812(9) .
S2 O4 1.441(6) .
S2 O6 1.464(6) .
S2 O5 1.469(5) .
S2 C19 1.764(9) .
O6 Sm1 2.437(5) 2_565
O9 C29 1.264(9) .
O10 C29 1.281(10) .
O8 C22 1.261(9) .
O8 Sm1 2.437(6) 1_545
O7 C22 1.265(9) .
O7 Sm1 2.319(5) 2
N1 C1 1.313(13) .
N1 C5 1.363(13) .
N1 Ag1 2.350(8) 2_556
N2 C10 1.332(13) .
N2 C6 1.354(11) .
N2 Ag1 2.369(8) 2_556
N3 C11 1.346(13) .
N3 C15 1.355(12) .
N3 Ag1 2.460(9) 2_556
C1 C2 1.405(14) .
C1 H1A 0.9300 .
C2 C3 1.384(17) .
C2 H2A 0.9300 .
C3 C4 1.390(17) .
C3 H3A 0.9300 .
C4 C5 1.404(13) .
C4 H4A 0.9300 .
C5 C6 1.486(14) .
C6 C7 1.368(13) .
C7 C8 1.396(15) .
C7 H7A 0.9300 .
C8 C9 1.398(13) .
C8 C16 1.473(13) .
C9 C10 1.381(13) .
C9 H9A 0.9300 .
C10 C11 1.526(13) .
C11 C12 1.367(14) .
C12 C13 1.404(15) .
C12 H12A 0.9300 .
C13 C14 1.352(18) .
C13 H13A 0.9300 .
C14 C15 1.366(16) .
C14 H14A 0.9300 .
C15 H15A 0.9300 .
C16 C17 1.408(13) .
C16 C21 1.415(13) .
C17 C18 1.386(13) .
C18 C19 1.386(11) .
C18 H18A 0.9300 .
C19 C20 1.394(12) .
C20 C21 1.377(14) .
C20 H20A 0.9300 .
C21 H21A 0.9300 .
C29 C25 1.491(10) .
C25 C26 1.380(10) .
C25 C24 1.398(11) .
C26 C27 1.377(11) .
C26 H26A 0.9300 .
C27 C28 1.378(12) .
C27 H27A 0.9300 .
C28 C23 1.400(11) .
C28 H28A 0.9300 .
C23 C24 1.401(10) .
C23 C22 1.478(11) .
C24 H24A 0.9300 .
O1W H1WA 0.8483 .
O1W H1WB 0.8519 .
O2W H2WA 0.8570 .
O2W H2WB 0.8516 .
O3W H3WA 0.8559 .
O3W H3WB 0.8469 .
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 S1 O2 Ag1 -0.5(7) . .
O3 S1 O2 Ag1 130.0(5) . .
C17 S1 O2 Ag1 -117.6(5) . .
N1 Ag1 O2 S1 -21.0(7) 2_556 .
N2 Ag1 O2 S1 160.7(8) 2_556 .
N3 Ag1 O2 S1 158.2(5) 2_556 .
O4 S2 O5 Sm1 -176.2(4) . .
O6 S2 O5 Sm1 -47.1(6) . .
C19 S2 O5 Sm1 67.2(6) . .
O7 Sm1 O5 S2 1.4(5) 2 .
O1W Sm1 O5 S2 -84.6(5) . .
O6 Sm1 O5 S2 65.5(6) 2_565 .
O8 Sm1 O5 S2 123.6(5) 1_565 .
O10 Sm1 O5 S2 -178.9(4) . .
O2W Sm1 O5 S2 -154.8(6) . .
O9 Sm1 O5 S2 -71.5(7) . .
C29 Sm1 O5 S2 -143.4(5) . .
O4 S2 O6 Sm1 124.9(6) . 2_565
O5 S2 O6 Sm1 -3.8(7) . 2_565
C19 S2 O6 Sm1 -117.3(6) . 2_565
O7 Sm1 O9 C29 166.0(4) 2 .
O1W Sm1 O9 C29 -110.4(5) . .
O6 Sm1 O9 C29 91.1(5) 2_565 .
O8 Sm1 O9 C29 37.3(5) 1_565 .
O10 Sm1 O9 C29 2.2(4) . .
O2W Sm1 O9 C29 -49.8(5) . .
O5 Sm1 O9 C29 -124.3(5) . .
O7 Sm1 O10 C29 -30.5(6) 2 .
O1W Sm1 O10 C29 58.6(5) . .
O6 Sm1 O10 C29 -78.1(5) 2_565 .
O8 Sm1 O10 C29 -154.2(5) 1_565 .
O2W Sm1 O10 C29 127.1(5) . .
O5 Sm1 O10 C29 150.1(4) . .
O9 Sm1 O10 C29 -2.1(4) . .
C5 N1 C1 C2 0.1(15) . .
Ag1 N1 C1 C2 166.4(7) 2_556 .
N1 C1 C2 C3 -2.5(16) . .
C1 C2 C3 C4 2.1(16) . .
C2 C3 C4 C5 0.6(16) . .
C1 N1 C5 C4 2.7(14) . .
Ag1 N1 C5 C4 -164.5(7) 2_556 .
C1 N1 C5 C6 -177.4(8) . .
Ag1 N1 C5 C6 15.4(10) 2_556 .
C3 C4 C5 N1 -3.1(15) . .
C3 C4 C5 C6 177.1(9) . .
C10 N2 C6 C7 -1.5(13) . .
Ag1 N2 C6 C7 -171.1(7) 2_556 .
C10 N2 C6 C5 179.7(8) . .
Ag1 N2 C6 C5 10.0(10) 2_556 .
N1 C5 C6 N2 -16.9(12) . .
C4 C5 C6 N2 162.9(8) . .
N1 C5 C6 C7 164.3(9) . .
C4 C5 C6 C7 -15.9(14) . .
N2 C6 C7 C8 2.7(14) . .
C5 C6 C7 C8 -178.6(9) . .
C6 C7 C8 C9 -3.0(14) . .
C6 C7 C8 C16 -177.8(9) . .
C7 C8 C9 C10 2.2(14) . .
C16 C8 C9 C10 176.8(9) . .
C6 N2 C10 C9 0.7(14) . .
Ag1 N2 C10 C9 170.1(7) 2_556 .
C6 N2 C10 C11 -179.7(8) . .
Ag1 N2 C10 C11 -10.3(11) 2_556 .
C8 C9 C10 N2 -1.1(15) . .
C8 C9 C10 C11 179.3(8) . .
C15 N3 C11 C12 -1.6(14) . .
Ag1 N3 C11 C12 179.2(7) 2_556 .
C15 N3 C11 C10 179.1(8) . .
Ag1 N3 C11 C10 -0.2(10) 2_556 .
N2 C10 C11 N3 6.7(12) . .
C9 C10 C11 N3 -173.7(9) . .
N2 C10 C11 C12 -172.7(9) . .
C9 C10 C11 C12 6.9(15) . .
N3 C11 C12 C13 1.8(15) . .
C10 C11 C12 C13 -178.9(9) . .
C11 C12 C13 C14 -0.9(16) . .
C12 C13 C14 C15 -0.1(18) . .
C11 N3 C15 C14 0.4(15) . .
Ag1 N3 C15 C14 179.7(8) 2_556 .
C13 C14 C15 N3 0.4(18) . .
C7 C8 C16 C17 -132.3(11) . .
C9 C8 C16 C17 53.3(15) . .
C7 C8 C16 C21 47.0(14) . .
C9 C8 C16 C21 -127.4(11) . .
C21 C16 C17 C18 3.3(15) . .
C8 C16 C17 C18 -177.4(9) . .
C21 C16 C17 S1 -171.6(8) . .
C8 C16 C17 S1 7.7(15) . .
O1 S1 C17 C18 106.9(8) . .
O2 S1 C17 C18 -131.9(7) . .
O3 S1 C17 C18 -15.1(8) . .
O1 S1 C17 C16 -77.9(9) . .
O2 S1 C17 C16 43.3(9) . .
O3 S1 C17 C16 160.1(8) . .
C16 C17 C18 C19 -3.4(14) . .
S1 C17 C18 C19 172.0(7) . .
C17 C18 C19 C20 0.6(14) . .
C17 C18 C19 S2 -176.4(7) . .
O4 S2 C19 C20 103.0(8) . .
O6 S2 C19 C20 -18.1(9) . .
O5 S2 C19 C20 -137.4(8) . .
O4 S2 C19 C18 -80.1(8) . .
O6 S2 C19 C18 158.9(7) . .
O5 S2 C19 C18 39.5(8) . .
C18 C19 C20 C21 2.1(15) . .
S2 C19 C20 C21 179.0(8) . .
C19 C20 C21 C16 -2.1(17) . .
C17 C16 C21 C20 -0.6(17) . .
C8 C16 C21 C20 -180.0(10) . .
Sm1 O9 C29 O10 -3.8(8) . .
Sm1 O9 C29 C25 174.9(6) . .
Sm1 O10 C29 O9 3.8(8) . .
Sm1 O10 C29 C25 -174.9(6) . .
O7 Sm1 C29 O9 -16.2(5) 2 .
O1W Sm1 C29 O9 63.3(5) . .
O6 Sm1 C29 O9 -80.8(4) 2_565 .
O8 Sm1 C29 O9 -149.8(4) 1_565 .
O10 Sm1 C29 O9 -176.2(8) . .
O2W Sm1 C29 O9 133.7(4) . .
O5 Sm1 C29 O9 123.1(6) . .
O7 Sm1 C29 O10 160.0(4) 2 .
O1W Sm1 C29 O10 -120.5(5) . .
O6 Sm1 C29 O10 95.4(5) 2_565 .
O8 Sm1 C29 O10 26.4(5) 1_565 .
O2W Sm1 C29 O10 -50.1(5) . .
O5 Sm1 C29 O10 -60.7(8) . .
O9 Sm1 C29 O10 176.2(8) . .
O7 Sm1 C29 C25 -119(7) 2 .
O1W Sm1 C29 C25 -39(7) . .
O6 Sm1 C29 C25 177(7) 2_565 .
O8 Sm1 C29 C25 108(7) 1_565 .
O10 Sm1 C29 C25 81(7) . .
O2W Sm1 C29 C25 31(7) . .
O5 Sm1 C29 C25 21(8) . .
O9 Sm1 C29 C25 -102(7) . .
O9 C29 C25 C26 173.9(7) . .
O10 C29 C25 C26 -7.4(12) . .
Sm1 C29 C25 C26 -86(7) . .
O9 C29 C25 C24 -6.8(11) . .
O10 C29 C25 C24 171.9(7) . .
Sm1 C29 C25 C24 93(7) . .
C24 C25 C26 C27 0.4(13) . .
C29 C25 C26 C27 179.6(8) . .
C25 C26 C27 C28 -1.1(14) . .
C26 C27 C28 C23 0.0(14) . .
C27 C28 C23 C24 1.8(13) . .
C27 C28 C23 C22 -175.0(8) . .
C28 C23 C24 C25 -2.5(12) . .
C22 C23 C24 C25 174.3(7) . .
C26 C25 C24 C23 1.5(11) . .
C29 C25 C24 C23 -177.8(7) . .
Sm1 O8 C22 O7 -16.4(9) 1_545 .
Sm1 O8 C22 C23 160.6(5) 1_545 .
Sm1 O7 C22 O8 165(5) 2 .
Sm1 O7 C22 C23 -12(6) 2 .
C24 C23 C22 O8 -151.5(7) . .
C28 C23 C22 O8 25.3(11) . .
C24 C23 C22 O7 25.6(11) . .
C28 C23 C22 O7 -157.6(8) . .
