#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:53:39 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179602 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/66/4506679.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_4506679
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_sum            'C22 H13 Ag3 N6 O15 Sm2'
_chemical_formula_weight         1225.69
_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                 117.274(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.4700(6)
_cell_length_b                   23.5866(17)
_cell_length_c                   15.4231(9)
_cell_measurement_reflns_used    7507
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      2.57
_cell_volume                     2738.7(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 0.956
_diffrn_measured_fraction_theta_max 0.956
_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  0.0466
_diffrn_reflns_av_sigmaI/netI    0.0536
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18596
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    6.419
_exptl_absorpt_correction_T_max  0.2862
_exptl_absorpt_correction_T_min  0.2409
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.973
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2288
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.26
_refine_diff_density_max         4.433
_refine_diff_density_min         -4.733
_refine_diff_density_rms         0.688
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         4612
_refine_ls_number_restraints     138
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.1414
_refine_ls_R_factor_gt           0.1122
_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)+(0.0100P)²+588.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2376
_refine_ls_wR_factor_ref         0.2607
_reflns_number_gt                3542
_reflns_number_total             4612
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg300613t_si_001.cif
_cod_data_source_block           Sm-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_sg_symbol_H-M      P2(1)/c
_cod_database_code               4506679
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
Sm1 Sm 1.00028(18) 0.74034(6) 0.34466(10) 0.0259(4) Uani 1 1 d .
Sm2 Sm 1.15883(17) 0.72289(6) 0.64871(10) 0.0247(4) Uani 1 1 d .
Ag1 Ag 0.7636(4) 0.92924(13) 0.32090(19) 0.0539(8) Uani 1 1 d .
Ag2 Ag 1.0120(4) 0.98243(11) 0.77392(17) 0.0434(6) Uani 1 1 d .
Ag3 Ag 0.3194(4) 1.06605(12) 0.22462(18) 0.0501(7) Uani 1 1 d .
O1 O 0.927(3) 0.8358(11) 0.3843(13) 0.048(6) Uani 1 1 d .
O1W O 1.315(3) 0.7434(10) 0.4332(16) 0.044(6) Uani 1 1 d .
H1WA H 1.3415 0.7427 0.4934 0.053 Uiso 1 1 d R
H1WB H 1.4051 0.7322 0.4276 0.053 Uiso 1 1 d R
O2 O 1.090(3) 0.7945(9) 0.5257(13) 0.035(5) Uani 1 1 d .
O2W O 0.828(3) 0.7191(10) 0.5605(14) 0.043(5) Uani 1 1 d .
H2WA H 0.7621 0.6919 0.5272 0.051 Uiso 1 1 d R
H2WB H 0.8103 0.7437 0.5166 0.051 Uiso 1 1 d R
O3 O 1.070(3) 0.8025(9) 0.7181(16) 0.041(5) Uani 1 1 d .
O4 O 1.237(4) 0.8825(12) 0.7808(18) 0.068(8) Uani 1 1 d .
O5 O 0.934(3) 0.6364(10) 0.3519(14) 0.040(5) Uani 1 1 d .
O6 O 1.079(3) 0.6808(9) 0.4924(15) 0.037(5) Uani 1 1 d U
O7 O 1.262(3) 0.6320(10) 0.6766(16) 0.043(5) Uani 1 1 d .
O8 O 1.252(3) 0.5464(10) 0.7379(16) 0.050(6) Uani 1 1 d .
O9 O 0.731(3) 0.7347(9) 0.3695(15) 0.038(5) Uani 1 1 d U
O10 O 0.435(3) 0.7547(10) 0.3014(16) 0.045(5) Uani 1 1 d U
O11 O 0.722(3) 0.7437(9) 0.1944(16) 0.040(5) Uani 1 1 d .
O12 O 0.428(3) 0.7618(10) 0.1266(13) 0.038(5) Uani 1 1 d .
O13 O 1.075(2) 0.8055(7) 0.2608(12) 0.027(4) Uani 1 1 d U
H13 H 1.0564 0.8257 0.2985 0.032 Uiso 1 1 d R
N1 N 0.848(4) 0.9273(13) 0.4744(19) 0.046(7) Uani 1 1 d .
N2 N 0.944(3) 0.9440(10) 0.6351(17) 0.034(6) Uani 1 1 d .
N3 N 0.495(4) 1.0642(13) 0.378(2) 0.050(8) Uani 1 1 d .
N4 N 0.916(3) 0.5247(10) 0.5879(16) 0.029(5) Uani 1 1 d U
N5 N 0.796(3) 0.5555(10) 0.4351(17) 0.030(5) Uani 1 1 d U
N6 N 0.375(3) 0.4388(14) 0.3319(18) 0.047(7) Uani 1 1 d .
C1 C 0.990(4) 0.8357(13) 0.475(2) 0.033(4) Uani 1 1 d U
C2 C 0.948(4) 0.8809(13) 0.527(2) 0.033(3) Uani 1 1 d U
C3 C 1.001(4) 0.8904(13) 0.624(2) 0.033(3) Uani 1 1 d U
C4 C 1.124(4) 0.8560(13) 0.715(2) 0.033(4) Uani 1 1 d U
C5 C 0.845(4) 0.9608(15) 0.541(2) 0.042(4) Uani 1 1 d U
C6 C 0.740(4) 1.0131(15) 0.510(2) 0.042(3) Uani 1 1 d U
C7 C 0.760(4) 1.0584(15) 0.573(2) 0.042(3) Uani 1 1 d U
H7 H 0.8470 1.0572 0.6380 0.051 Uiso 1 1 calc R
C8 C 0.646(4) 1.1050(15) 0.539(2) 0.042(3) Uani 1 1 d U
H8 H 0.6526 1.1341 0.5810 0.051 Uiso 1 1 calc R
C9 C 0.519(4) 1.1078(15) 0.438(2) 0.042(4) Uani 1 1 d U
H9 H 0.4523 1.1406 0.4133 0.051 Uiso 1 1 calc R
C10 C 0.598(4) 1.0164(15) 0.415(2) 0.042(4) Uani 1 1 d U
H10 H 0.5705 0.9845 0.3756 0.051 Uiso 1 1 calc R
C11 C 0.985(4) 0.6375(12) 0.446(2) 0.029(3) Uani 1 1 d U
C12 C 0.941(4) 0.5912(12) 0.491(2) 0.029(3) Uani 1 1 d U
C13 C 1.012(4) 0.5683(12) 0.584(2) 0.029(3) Uani 1 1 d U
C14 C 1.193(4) 0.5844(12) 0.672(2) 0.029(3) Uani 1 1 d U
C15 C 0.789(4) 0.5198(12) 0.498(2) 0.035(3) Uani 1 1 d U
C16 C 0.646(4) 0.4783(12) 0.461(2) 0.034(3) Uani 1 1 d U
C17 C 0.649(4) 0.4323(12) 0.518(2) 0.035(3) Uani 1 1 d U
H17 H 0.7469 0.4277 0.5791 0.042 Uiso 1 1 calc R
C18 C 0.515(4) 0.3940(12) 0.489(2) 0.034(3) Uani 1 1 d U
H18 H 0.5109 0.3681 0.5337 0.041 Uiso 1 1 calc R
C19 C 0.383(4) 0.3934(12) 0.392(2) 0.034(3) Uani 1 1 d U
H19 H 0.3023 0.3636 0.3681 0.041 Uiso 1 1 calc R
C20 C 0.506(4) 0.4789(12) 0.368(2) 0.034(3) Uani 1 1 d U
H20 H 0.5007 0.5088 0.3277 0.041 Uiso 1 1 calc R
C21 C 0.580(4) 0.7474(12) 0.303(2) 0.034(5) Uani 1 1 d U
C22 C 0.577(4) 0.7512(12) 0.199(2) 0.034(5) Uani 1 1 d U
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'
Sm Sm -0.1638 3.4418 '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 Sm1 O1W 77.1(7) . .
O13 Sm1 O11 80.6(6) . .
O1W Sm1 O11 152.8(7) . .
O13 Sm1 O9 129.5(7) . .
O1W Sm1 O9 141.4(7) . .
O11 Sm1 O9 65.8(7) . .
O13 Sm1 O1 72.1(7) . .
O1W Sm1 O1 99.9(8) . .
O11 Sm1 O1 87.8(7) . .
O9 Sm1 O1 70.1(7) . .
O13 Sm1 O6 150.7(6) . .
O1W Sm1 O6 74.5(7) . .
O11 Sm1 O6 128.6(6) . .
O9 Sm1 O6 73.0(7) . .
O1 Sm1 O6 106.1(7) . .
O13 Sm1 O3 66.6(7) . 4_575
O1W Sm1 O3 81.7(7) . 4_575
O11 Sm1 O3 75.1(7) . 4_575
O9 Sm1 O3 131.5(7) . 4_575
O1 Sm1 O3 137.2(7) . 4_575
O6 Sm1 O3 115.3(7) . 4_575
O13 Sm1 O5 143.6(6) . .
O1W Sm1 O5 102.5(7) . .
O11 Sm1 O5 86.3(7) . .
O9 Sm1 O5 72.7(7) . .
O1 Sm1 O5 141.5(7) . .
O6 Sm1 O5 52.1(7) . .
O3 Sm1 O5 77.3(7) 4_575 .
O13 Sm1 O2 103.7(6) . .
O1W Sm1 O2 72.4(7) . .
O11 Sm1 O2 128.8(6) . .
O9 Sm1 O2 73.9(6) . .
O1 Sm1 O2 48.3(6) . .
O6 Sm1 O2 61.0(6) . .
O3 Sm1 O2 154.0(6) 4_575 .
O5 Sm1 O2 110.9(6) . .
O13 Sm1 Sm2 29.8(4) . 4_575
O1W Sm1 Sm2 75.3(5) . 4_575
O11 Sm1 Sm2 77.6(4) . 4_575
O9 Sm1 Sm2 142.5(5) . 4_575
O1 Sm1 Sm2 101.6(5) . 4_575
O6 Sm1 Sm2 141.8(5) . 4_575
O3 Sm1 Sm2 36.9(5) 4_575 4_575
O5 Sm1 Sm2 114.2(4) . 4_575
O2 Sm1 Sm2 128.8(4) . 4_575
O13 Sm1 H13 20.8 . .
O1W Sm1 H13 79.1 . .
O11 Sm1 H13 85.6 . .
O9 Sm1 H13 115.9 . .
O1 Sm1 H13 51.8 . .
O6 Sm1 H13 141.6 . .
O3 Sm1 H13 87.4 4_575 .
O5 Sm1 H13 164.1 . .
O2 Sm1 H13 84.8 . .
Sm2 Sm1 H13 50.6 4_575 .
O13 Sm2 O7 78.8(7) 4_576 .
O13 Sm2 O6 127.2(6) 4_576 .
O7 Sm2 O6 73.0(7) . .
O13 Sm2 O2 140.0(7) 4_576 .
O7 Sm2 O2 138.0(7) . .
O6 Sm2 O2 69.1(7) . .
O13 Sm2 O3 67.9(7) 4_576 .
O7 Sm2 O3 143.9(7) . .
O6 Sm2 O3 139.1(7) . .
O2 Sm2 O3 78.0(7) . .
O13 Sm2 O12 141.5(7) 4_576 4_676
O7 Sm2 O12 82.3(8) . 4_676
O6 Sm2 O12 77.1(6) . 4_676
O2 Sm2 O12 72.3(7) . 4_676
O3 Sm2 O12 115.7(7) . 4_676
O13 Sm2 O2W 74.7(6) 4_576 .
O7 Sm2 O2W 107.9(8) . .
O6 Sm2 O2W 73.0(7) . .
O2 Sm2 O2W 77.7(7) . .
O3 Sm2 O2W 76.8(7) . .
O12 Sm2 O2W 143.5(6) 4_676 .
O13 Sm2 O10 80.1(7) 4_576 4_676
O7 Sm2 O10 84.7(8) . 4_676
O6 Sm2 O10 138.2(7) . 4_676
O2 Sm2 O10 112.3(7) . 4_676
O3 Sm2 O10 76.6(7) . 4_676
O12 Sm2 O10 65.0(6) 4_676 4_676
O2W Sm2 O10 148.7(7) . 4_676
O13 Sm2 Sm1 30.1(5) 4_576 4_576
O7 Sm2 Sm1 107.4(5) . 4_576
O6 Sm2 Sm1 145.7(5) . 4_576
O2 Sm2 Sm1 114.0(5) . 4_576
O3 Sm2 Sm1 37.9(5) . 4_576
O12 Sm2 Sm1 137.2(4) 4_676 4_576
O2W Sm2 Sm1 74.5(5) . 4_576
O10 Sm2 Sm1 74.4(5) 4_676 4_576
N6 Ag1 N1 166.7(10) 2_655 .
N6 Ag1 O1 116.6(9) 2_655 .
N1 Ag1 O1 73.1(9) . .
N2 Ag2 N4 177.4(9) . 2_756
N2 Ag2 Ag3 91.3(7) . 3_676
N4 Ag2 Ag3 90.6(6) 2_756 3_676
N3 Ag3 N5 163.3(10) . 2_655
N3 Ag3 O5 122.6(9) . 2_655
N5 Ag3 O5 73.0(7) 2_655 2_655
N3 Ag3 Ag2 99.2(8) . 3_676
N5 Ag3 Ag2 91.7(6) 2_655 3_676
O5 Ag3 Ag2 70.2(5) 2_655 3_676
C1 O1 Sm1 104(2) . .
C1 O1 Ag1 108(2) . .
Sm1 O1 Ag1 147.4(8) . .
Sm1 O1W H1WA 107.1 . .
Sm1 O1W H1WB 139.3 . .
H1WA O1W H1WB 107.7 . .
C1 O2 Sm2 149.4(19) . .
C1 O2 Sm1 86.7(15) . .
Sm2 O2 Sm1 108.6(7) . .
Sm2 O2W H2WA 128.2 . .
Sm2 O2W H2WB 98.8 . .
H2WA O2W H2WB 101.8 . .
C4 O3 Sm2 122.0(17) . .
C4 O3 Sm1 127.3(18) . 4_576
Sm2 O3 Sm1 105.2(8) . 4_576
C11 O5 Sm1 93.6(17) . .
C11 O5 Ag3 107.9(17) . 2_645
Sm1 O5 Ag3 140.4(9) . 2_645
C11 O6 Sm2 134.9(17) . .
C11 O6 Sm1 95.6(16) . .
Sm2 O6 Sm1 121.3(8) . .
C14 O7 Sm2 134.4(19) . .
C21 O9 Sm1 121.7(18) . .
C21 O10 Sm2 123(2) . 4_475
C22 O11 Sm1 119(2) . .
C22 O12 Sm2 121.1(17) . 4_475
Sm2 O13 Sm1 120.2(8) 4_575 .
Sm2 O13 H13 161.0 4_575 .
Sm1 O13 H13 78.5 . .
C5 N1 C2 104(3) . .
C5 N1 Ag1 138(2) . .
C2 N1 Ag1 117.9(19) . .
C5 N2 C3 102(2) . .
C5 N2 Ag2 134(2) . .
C3 N2 Ag2 124(2) . .
C9 N3 C10 119(3) . .
C9 N3 Ag3 124(2) . .
C10 N3 Ag3 117(2) . .
C15 N4 C13 104(2) . .
C15 N4 Ag2 136(2) . 2_746
C13 N4 Ag2 119.9(18) . 2_746
C15 N5 C12 105(2) . .
C15 N5 Ag3 139(2) . 2_645
C12 N5 Ag3 115.6(17) . 2_645
C20 N6 C19 118(2) . .
C20 N6 Ag1 118(2) . 2_645
C19 N6 Ag1 120(2) . 2_645
O1 C1 O2 120(3) . .
O1 C1 C2 122(3) . .
O2 C1 C2 118(3) . .
C3 C2 N1 108(3) . .
C3 C2 C1 132(3) . .
N1 C2 C1 119(3) . .
C2 C3 N2 109(3) . .
C2 C3 C4 131(3) . .
N2 C3 C4 119(2) . .
O4 C4 O3 128(3) . .
O4 C4 C3 116(3) . .
O3 C4 C3 115(2) . .
N1 C5 N2 116(3) . .
N1 C5 C6 118(3) . .
N2 C5 C6 126(3) . .
C10 C6 C7 117(3) . .
C10 C6 C5 119(3) . .
C7 C6 C5 123(3) . .
C8 C7 C6 119(3) . .
C8 C7 H7 120.3 . .
C6 C7 H7 120.3 . .
C7 C8 C9 120(3) . .
C7 C8 H8 120.2 . .
C9 C8 H8 120.2 . .
N3 C9 C8 121(3) . .
N3 C9 H9 119.5 . .
C8 C9 H9 119.5 . .
N3 C10 C6 124(3) . .
N3 C10 H10 118.2 . .
C6 C10 H10 118.2 . .
O6 C11 O5 116(3) . .
O6 C11 C12 124(2) . .
O5 C11 C12 120(3) . .
C13 C12 N5 104(2) . .
C13 C12 C11 136(3) . .
N5 C12 C11 120(2) . .
N4 C13 C12 111(2) . .
N4 C13 C14 121(2) . .
C12 C13 C14 127(3) . .
O7 C14 O8 126(3) . .
O7 C14 C13 121(2) . .
O8 C14 C13 114(2) . .
N5 C15 N4 116(3) . .
N5 C15 C16 117(3) . .
N4 C15 C16 128(3) . .
C20 C16 C17 115(3) . .
C20 C16 C15 125(3) . .
C17 C16 C15 120(3) . .
C18 C17 C16 123(3) . .
C18 C17 H17 118.6 . .
C16 C17 H17 118.6 . .
C17 C18 C19 120(3) . .
C17 C18 H18 120.1 . .
C19 C18 H18 120.1 . .
N6 C19 C18 118(3) . .
N6 C19 H19 120.8 . .
C18 C19 H19 120.8 . .
N6 C20 C16 125(3) . .
N6 C20 H20 117.6 . .
C16 C20 H20 117.6 . .
O10 C21 O9 133(3) . .
O10 C21 C22 115(3) . .
O9 C21 C22 112(2) . .
O11 C22 O12 125(3) . .
O11 C22 C21 118(3) . .
O12 C22 C21 116(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sm1 O13 2.275(19) .
Sm1 O1W 2.37(2) .
Sm1 O11 2.44(2) .
Sm1 O9 2.48(2) .
Sm1 O1 2.49(3) .
Sm1 O6 2.494(19) .
Sm1 O3 2.50(2) 4_575
Sm1 O5 2.53(2) .
Sm1 O2 2.840(19) .
Sm1 H13 2.2585 .
Sm2 O13 2.254(18) 4_576
Sm2 O7 2.28(2) .
Sm2 O6 2.40(2) .
Sm2 O2 2.403(19) .
Sm2 O3 2.44(2) .
Sm2 O12 2.48(2) 4_676
Sm2 O2W 2.49(2) .
Sm2 O10 2.50(2) 4_676
Ag1 N6 2.11(2) 2_655
Ag1 N1 2.14(3) .
Ag1 O1 2.55(2) .
Ag2 N2 2.15(2) .
Ag2 N4 2.17(2) 2_756
Ag2 Ag3 3.040(4) 3_676
Ag3 N3 2.15(3) .
Ag3 N5 2.21(2) 2_655
Ag3 O5 2.54(2) 2_655
Ag3 Ag2 3.041(4) 3_676
O1 C1 1.25(3) .
O1W H1WA 0.8500 .
O1W H1WB 0.8500 .
O2 C1 1.29(3) .
O2W H2WA 0.8500 .
O2W H2WB 0.8504 .
O3 C4 1.35(4) .
O3 Sm1 2.50(2) 4_576
O4 C4 1.20(4) .
O5 C11 1.31(3) .
O5 Ag3 2.54(2) 2_645
O6 C11 1.29(3) .
O7 C14 1.26(3) .
O8 C14 1.27(3) .
O9 C21 1.25(4) .
O10 C21 1.23(3) .
O10 Sm2 2.50(2) 4_475
O11 C22 1.27(3) .
O12 C22 1.27(4) .
O12 Sm2 2.48(2) 4_475
O13 Sm2 2.254(18) 4_575
O13 H13 0.8196 .
N1 C5 1.31(4) .
N1 C2 1.39(4) .
N2 C5 1.36(4) .
N2 C3 1.39(4) .
N3 C9 1.33(4) .
N3 C10 1.37(4) .
N4 C15 1.31(4) .
N4 C13 1.33(4) .
N4 Ag2 2.17(2) 2_746
N5 C15 1.31(4) .
N5 C12 1.42(4) .
N5 Ag3 2.21(2) 2_645
N6 C20 1.37(4) .
N6 C19 1.40(4) .
N6 Ag1 2.11(2) 2_645
C1 C2 1.47(4) .
C2 C3 1.37(4) .
C3 C4 1.55(4) .
C5 C6 1.46(4) .
C6 C10 1.41(4) .
C6 C7 1.41(5) .
C7 C8 1.40(4) .
C7 H7 0.9300 .
C8 C9 1.43(4) .
C8 H8 0.9300 .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.43(4) .
C12 C13 1.38(4) .
C13 C14 1.56(4) .
C15 C16 1.45(4) .
C16 C20 1.37(4) .
C16 C17 1.39(4) .
C17 C18 1.36(4) .
C17 H17 0.9300 .
C18 C19 1.40(4) .
C18 H18 0.9300 .
C19 H19 0.9300 .
C20 H20 0.9300 .
C21 C22 1.60(4) .
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 Sm1 O1 C1 -133(2) . .
O1W Sm1 O1 C1 -60(2) . .
O11 Sm1 O1 C1 146.1(19) . .
O9 Sm1 O1 C1 81.1(19) . .
O6 Sm1 O1 C1 16(2) . .
O3 Sm1 O1 C1 -148.7(17) 4_575 .
O5 Sm1 O1 C1 65(2) . .
O2 Sm1 O1 C1 -4.7(17) . .
Sm2 Sm1 O1 C1 -137.1(18) 4_575 .
O13 Sm1 O1 Ag1 54.1(18) . .
O1W Sm1 O1 Ag1 126.9(18) . .
O11 Sm1 O1 Ag1 -26.8(19) . .
O9 Sm1 O1 Ag1 -91.8(19) . .
O6 Sm1 O1 Ag1 -156.5(17) . .
O3 Sm1 O1 Ag1 38(2) 4_575 .
O5 Sm1 O1 Ag1 -108.1(18) . .
O2 Sm1 O1 Ag1 -178(2) . .
Sm2 Sm1 O1 Ag1 50.1(19) 4_575 .
N6 Ag1 O1 C1 -175(2) 2_655 .
N1 Ag1 O1 C1 -5(2) . .
N6 Ag1 O1 Sm1 -2(2) 2_655 .
N1 Ag1 O1 Sm1 168(2) . .
O13 Sm2 O2 C1 -7(4) 4_576 .
O7 Sm2 O2 C1 143(3) . .
O6 Sm2 O2 C1 116(4) . .
O3 Sm2 O2 C1 -39(4) . .
O12 Sm2 O2 C1 -161(4) 4_676 .
O2W Sm2 O2 C1 40(4) . .
O10 Sm2 O2 C1 -109(4) 4_676 .
Sm1 Sm2 O2 C1 -27(4) 4_576 .
O13 Sm2 O2 Sm1 -124.1(9) 4_576 .
O7 Sm2 O2 Sm1 26.5(14) . .
O6 Sm2 O2 Sm1 -0.6(7) . .
O3 Sm2 O2 Sm1 -155.7(9) . .
O12 Sm2 O2 Sm1 82.0(8) 4_676 .
O2W Sm2 O2 Sm1 -76.8(8) . .
O10 Sm2 O2 Sm1 134.3(7) 4_676 .
Sm1 Sm2 O2 Sm1 -143.5(4) 4_576 .
O13 Sm1 O2 C1 54.6(17) . .
O1W Sm1 O2 C1 126.1(17) . .
O11 Sm1 O2 C1 -34.2(19) . .
O9 Sm1 O2 C1 -73.1(17) . .
O1 Sm1 O2 C1 4.4(16) . .
O6 Sm1 O2 C1 -152.3(18) . .
O3 Sm1 O2 C1 119(2) 4_575 .
O5 Sm1 O2 C1 -136.9(16) . .
Sm2 Sm1 O2 C1 72.7(17) 4_575 .
O13 Sm1 O2 Sm2 -152.5(7) . .
O1W Sm1 O2 Sm2 -81.1(8) . .
O11 Sm1 O2 Sm2 118.6(8) . .
O9 Sm1 O2 Sm2 79.8(8) . .
O1 Sm1 O2 Sm2 157.3(12) . .
O6 Sm1 O2 Sm2 0.6(7) . .
O3 Sm1 O2 Sm2 -88.2(16) 4_575 .
O5 Sm1 O2 Sm2 15.9(10) . .
Sm2 Sm1 O2 Sm2 -134.5(5) 4_575 .
O13 Sm2 O3 C4 158(2) 4_576 .
O7 Sm2 O3 C4 135(2) . .
O6 Sm2 O3 C4 -80(2) . .
O2 Sm2 O3 C4 -43(2) . .
O12 Sm2 O3 C4 21(2) 4_676 .
O2W Sm2 O3 C4 -123(2) . .
O10 Sm2 O3 C4 74(2) 4_676 .
Sm1 Sm2 O3 C4 155(3) 4_576 .
O13 Sm2 O3 Sm1 3.0(6) 4_576 4_576
O7 Sm2 O3 Sm1 -20.9(16) . 4_576
O6 Sm2 O3 Sm1 124.8(9) . 4_576
O2 Sm2 O3 Sm1 161.6(9) . 4_576
O12 Sm2 O3 Sm1 -135.0(7) 4_676 4_576
O2W Sm2 O3 Sm1 81.6(8) . 4_576
O10 Sm2 O3 Sm1 -81.7(8) 4_676 4_576
O13 Sm1 O5 C11 153.2(15) . .
O1W Sm1 O5 C11 68.0(17) . .
O11 Sm1 O5 C11 -138.0(17) . .
O9 Sm1 O5 C11 -72.2(16) . .
O1 Sm1 O5 C11 -56(2) . .
O6 Sm1 O5 C11 9.4(15) . .
O3 Sm1 O5 C11 146.4(17) 4_575 .
O2 Sm1 O5 C11 -7.7(18) . .
Sm2 Sm1 O5 C11 147.4(15) 4_575 .
O13 Sm1 O5 Ag3 -82.8(17) . 2_645
O1W Sm1 O5 Ag3 -168.0(13) . 2_645
O11 Sm1 O5 Ag3 -14.0(13) . 2_645
O9 Sm1 O5 Ag3 51.8(13) . 2_645
O1 Sm1 O5 Ag3 67.9(17) . 2_645
O6 Sm1 O5 Ag3 133.4(17) . 2_645
O3 Sm1 O5 Ag3 -89.6(13) 4_575 2_645
O2 Sm1 O5 Ag3 116.3(13) . 2_645
Sm2 Sm1 O5 Ag3 -88.6(13) 4_575 2_645
O13 Sm2 O6 C11 -2(3) 4_576 .
O7 Sm2 O6 C11 59(3) . .
O2 Sm2 O6 C11 -139(3) . .
O3 Sm2 O6 C11 -101(3) . .
O12 Sm2 O6 C11 145(3) 4_676 .
O2W Sm2 O6 C11 -56(3) . .
O10 Sm2 O6 C11 120(3) 4_676 .
Sm1 Sm2 O6 C11 -37(3) 4_576 .
O13 Sm2 O6 Sm1 138.4(8) 4_576 .
O7 Sm2 O6 Sm1 -160.7(11) . .
O2 Sm2 O6 Sm1 0.7(8) . .
O3 Sm2 O6 Sm1 39.6(15) . .
O12 Sm2 O6 Sm1 -75.0(10) 4_676 .
O2W Sm2 O6 Sm1 83.8(10) . .
O10 Sm2 O6 Sm1 -99.8(13) 4_676 .
Sm1 Sm2 O6 Sm1 103.0(9) 4_576 .
O13 Sm1 O6 C11 -143.7(16) . .
O1W Sm1 O6 C11 -129.6(18) . .
O11 Sm1 O6 C11 34(2) . .
O9 Sm1 O6 C11 71.6(17) . .
O1 Sm1 O6 C11 134.3(17) . .
O3 Sm1 O6 C11 -56.8(18) 4_575 .
O5 Sm1 O6 C11 -9.5(16) . .
O2 Sm1 O6 C11 152.2(19) . .
Sm2 Sm1 O6 C11 -90.8(17) 4_575 .
O13 Sm1 O6 Sm2 63.5(18) . .
O1W Sm1 O6 Sm2 77.5(10) . .
O11 Sm1 O6 Sm2 -118.9(10) . .
O9 Sm1 O6 Sm2 -81.3(10) . .
O1 Sm1 O6 Sm2 -18.5(11) . .
O3 Sm1 O6 Sm2 150.3(9) 4_575 .
O5 Sm1 O6 Sm2 -162.4(14) . .
O2 Sm1 O6 Sm2 -0.7(7) . .
Sm2 Sm1 O6 Sm2 116.4(9) 4_575 .
O13 Sm2 O7 C14 56(3) 4_576 .
O6 Sm2 O7 C14 -79(3) . .
O2 Sm2 O7 C14 -106(3) . .
O3 Sm2 O7 C14 78(3) . .
O12 Sm2 O7 C14 -158(3) 4_676 .
O2W Sm2 O7 C14 -14(3) . .
O10 Sm2 O7 C14 136(3) 4_676 .
Sm1 Sm2 O7 C14 65(3) 4_576 .
O13 Sm1 O9 C21 38(2) . .
O1W Sm1 O9 C21 163(2) . .
O11 Sm1 O9 C21 -15(2) . .
O1 Sm1 O9 C21 82(2) . .
O6 Sm1 O9 C21 -163(2) . .
O3 Sm1 O9 C21 -54(2) 4_575 .
O5 Sm1 O9 C21 -109(2) . .
O2 Sm1 O9 C21 133(2) . .
Sm2 Sm1 O9 C21 -1(3) 4_575 .
O13 Sm1 O11 C22 -129(2) . .
O1W Sm1 O11 C22 -164(2) . .
O9 Sm1 O11 C22 12(2) . .
O1 Sm1 O11 C22 -57(2) . .
O6 Sm1 O11 C22 52(2) . .
O3 Sm1 O11 C22 163(2) 4_575 .
O5 Sm1 O11 C22 85(2) . .
O2 Sm1 O11 C22 -29(2) . .
Sm2 Sm1 O11 C22 -159(2) 4_575 .
O1W Sm1 O13 Sm2 82.9(10) . 4_575
O11 Sm1 O13 Sm2 -81.3(9) . 4_575
O9 Sm1 O13 Sm2 -128.9(9) . 4_575
O1 Sm1 O13 Sm2 -172.0(11) . 4_575
O6 Sm1 O13 Sm2 96.8(14) . 4_575
O3 Sm1 O13 Sm2 -3.6(8) 4_575 4_575
O5 Sm1 O13 Sm2 -10.8(16) . 4_575
O2 Sm1 O13 Sm2 150.9(8) . 4_575
N6 Ag1 N1 C5 -46(7) 2_655 .
O1 Ag1 N1 C5 176(4) . .
N6 Ag1 N1 C2 141(5) 2_655 .
O1 Ag1 N1 C2 3(2) . .
Ag3 Ag2 N2 C5 88(3) 3_676 .
Ag3 Ag2 N2 C3 -91(2) 3_676 .
N5 Ag3 N3 C9 137(3) 2_655 .
O5 Ag3 N3 C9 -21(3) 2_655 .
Ag2 Ag3 N3 C9 -93(3) 3_676 .
N5 Ag3 N3 C10 -39(5) 2_655 .
O5 Ag3 N3 C10 164(2) 2_655 .
Ag2 Ag3 N3 C10 91(2) 3_676 .
Sm1 O1 C1 O2 9(3) . .
Ag1 O1 C1 O2 -175(2) . .
Sm1 O1 C1 C2 -169(2) . .
Ag1 O1 C1 C2 7(3) . .
Sm2 O2 C1 O1 -130(3) . .
Sm1 O2 C1 O1 -8(3) . .
Sm2 O2 C1 C2 49(5) . .
Sm1 O2 C1 C2 171(3) . .
C5 N1 C2 C3 -1(4) . .
Ag1 N1 C2 C3 175(2) . .
C5 N1 C2 C1 -176(3) . .
Ag1 N1 C2 C1 -1(4) . .
O1 C1 C2 C3 -179(3) . .
O2 C1 C2 C3 3(5) . .
O1 C1 C2 N1 -5(5) . .
O2 C1 C2 N1 177(3) . .
N1 C2 C3 N2 -3(3) . .
C1 C2 C3 N2 171(3) . .
N1 C2 C3 C4 -175(3) . .
C1 C2 C3 C4 -1(6) . .
C5 N2 C3 C2 6(3) . .
Ag2 N2 C3 C2 -175(2) . .
C5 N2 C3 C4 179(3) . .
Ag2 N2 C3 C4 -2(4) . .
Sm2 O3 C4 O4 -103(4) . .
Sm1 O3 C4 O4 46(4) 4_576 .
Sm2 O3 C4 C3 89(3) . .
Sm1 O3 C4 C3 -121(2) 4_576 .
C2 C3 C4 O4 132(4) . .
N2 C3 C4 O4 -40(4) . .
C2 C3 C4 O3 -60(4) . .
N2 C3 C4 O3 129(3) . .
C2 N1 C5 N2 5(4) . .
Ag1 N1 C5 N2 -169(2) . .
C2 N1 C5 C6 -177(3) . .
Ag1 N1 C5 C6 9(6) . .
C3 N2 C5 N1 -7(4) . .
Ag2 N2 C5 N1 174(2) . .
C3 N2 C5 C6 175(3) . .
Ag2 N2 C5 C6 -5(5) . .
N1 C5 C6 C10 25(5) . .
N2 C5 C6 C10 -157(3) . .
N1 C5 C6 C7 -164(3) . .
N2 C5 C6 C7 14(6) . .
C10 C6 C7 C8 -4(5) . .
C5 C6 C7 C8 -176(3) . .
C6 C7 C8 C9 -4(5) . .
C10 N3 C9 C8 -1(5) . .
Ag3 N3 C9 C8 -176(2) . .
C7 C8 C9 N3 7(5) . .
C9 N3 C10 C6 -8(5) . .
Ag3 N3 C10 C6 168(3) . .
C7 C6 C10 N3 10(5) . .
C5 C6 C10 N3 -178(3) . .
Sm2 O6 C11 O5 162.9(19) . .
Sm1 O6 C11 O5 16(3) . .
Sm2 O6 C11 C12 -19(4) . .
Sm1 O6 C11 C12 -166(2) . .
Sm1 O5 C11 O6 -16(3) . .
Ag3 O5 C11 O6 -162(2) 2_645 .
Sm1 O5 C11 C12 166(2) . .
Ag3 O5 C11 C12 20(3) 2_645 .
C15 N5 C12 C13 4(3) . .
Ag3 N5 C12 C13 -166.9(18) 2_645 .
C15 N5 C12 C11 -178(3) . .
Ag3 N5 C12 C11 11(3) 2_645 .
O6 C11 C12 C13 -23(5) . .
O5 C11 C12 C13 154(3) . .
O6 C11 C12 N5 160(3) . .
O5 C11 C12 N5 -23(4) . .
C15 N4 C13 C12 2(3) . .
Ag2 N4 C13 C12 -177.0(18) 2_746 .
C15 N4 C13 C14 -172(3) . .
Ag2 N4 C13 C14 9(3) 2_746 .
N5 C12 C13 N4 -4(3) . .
C11 C12 C13 N4 179(3) . .
N5 C12 C13 C14 170(3) . .
C11 C12 C13 C14 -8(5) . .
Sm2 O7 C14 O8 -131(3) . .
Sm2 O7 C14 C13 46(4) . .
N4 C13 C14 O7 -164(3) . .
C12 C13 C14 O7 23(4) . .
N4 C13 C14 O8 14(4) . .
C12 C13 C14 O8 -159(3) . .
C12 N5 C15 N4 -4(3) . .
Ag3 N5 C15 N4 164(2) 2_645 .
C12 N5 C15 C16 178(2) . .
Ag3 N5 C15 C16 -14(5) 2_645 .
C13 N4 C15 N5 1(3) . .
Ag2 N4 C15 N5 180(2) 2_746 .
C13 N4 C15 C16 179(3) . .
Ag2 N4 C15 C16 -2(5) 2_746 .
N5 C15 C16 C20 -9(4) . .
N4 C15 C16 C20 173(3) . .
N5 C15 C16 C17 168(3) . .
N4 C15 C16 C17 -10(5) . .
C20 C16 C17 C18 -6(4) . .
C15 C16 C17 C18 176(3) . .
C16 C17 C18 C19 12(5) . .
C20 N6 C19 C18 6(4) . .
Ag1 N6 C19 C18 161(2) 2_645 .
C17 C18 C19 N6 -11(4) . .
C19 N6 C20 C16 -1(5) . .
Ag1 N6 C20 C16 -156(2) 2_645 .
C17 C16 C20 N6 1(4) . .
C15 C16 C20 N6 178(3) . .
Sm2 O10 C21 O9 -178(3) 4_475 .
Sm2 O10 C21 C22 -2(3) 4_475 .
Sm1 O9 C21 O10 -169(3) . .
Sm1 O9 C21 C22 15(3) . .
Sm1 O11 C22 O12 169(2) . .
Sm1 O11 C22 C21 -10(3) . .
Sm2 O12 C22 O11 -179(2) 4_475 .
Sm2 O12 C22 C21 1(3) 4_475 .
O10 C21 C22 O11 -180(3) . .
O9 C21 C22 O11 -3(4) . .
O10 C21 C22 O12 1(4) . .
O9 C21 C22 O12 177(3) . .
