#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:52:01 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179132 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/94/4309455.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_4309455
loop_
_publ_author_name
'Haiyan An'
'Yangguang Li'
'Enbo Wang'
'Dongrong Xiao'
'Chunyan Sun'
'Lin Xu'
_publ_section_title
;
Self-Assembly of a Series of Extended Architectures Based on
Polyoxometalate Clusters and Silver Coordination Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6062
_journal_page_last               6070
_journal_paper_doi               10.1021/ic050636x
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C36 H50 Ag3 I Mo6 N6 Na2 O46'
_chemical_formula_weight         2374.95
_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                116.14(3)
_cell_angle_beta                 108.85(3)
_cell_angle_gamma                93.86(3)
_cell_formula_units_Z            1
_cell_length_a                   11.978(2)
_cell_length_b                   12.008(2)
_cell_length_c                   13.607(3)
_cell_measurement_reflns_used    15499
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.00
_cell_volume                     1611.3(9)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_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_detector_area_resol_mean '100x100 microns'
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP diffractomete'
_diffrn_measurement_method       'Oscillation 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  0.0530
_diffrn_reflns_av_sigmaI/netI    0.0725
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            15499
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.625
_exptl_absorpt_correction_T_max  0.730
_exptl_absorpt_correction_T_min  0.610
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'ABSCOR by T.Higashi    8 March, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.068
_refine_diff_density_min         -0.975
_refine_diff_density_rms         0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         7239
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.970
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_gt           0.0491
_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)+(0.0750P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1202
_refine_ls_wR_factor_ref         0.1377
_reflns_number_gt                4765
_reflns_number_total             7239
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050636xsi20050617_052318.cif
_cod_data_source_block           aa128b
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1611.4(6)
_cod_database_code               4309455
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
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I 0.5000 0.5000 0.0000 0.01560(14) Uani 1 2 d S . .
Ag1 Ag 0.92084(6) 0.18971(6) -0.14288(5) 0.03498(17) Uani 1 1 d . . .
Ag2 Ag 1.0000 0.5000 0.0000 0.0437(2) Uani 1 2 d S . .
Mo1 Mo 0.61684(5) 0.33147(6) -0.19063(5) 0.02152(15) Uani 1 1 d . . .
Mo2 Mo 0.69704(5) 0.64891(6) -0.05204(5) 0.02096(15) Uani 1 1 d . . .
Mo3 Mo 0.58167(5) 0.81821(6) 0.14007(5) 0.02216(15) Uani 1 1 d . . .
O1 O 0.5784(4) 0.3659(5) -0.0253(4) 0.0241(10) Uani 1 1 d . . .
O2 O 0.4868(4) 0.5062(5) 0.1367(4) 0.0233(10) Uani 1 1 d . . .
O3 O 0.3527(4) 0.3726(5) -0.0893(4) 0.0242(10) Uani 1 1 d . . .
O4 O 0.4570(5) 0.2231(5) -0.2491(4) 0.0273(11) Uani 1 1 d . . .
O5 O 0.7397(4) 0.4878(5) -0.0789(4) 0.0300(11) Uani 1 1 d . . .
O6 O 0.5968(5) 0.7658(5) -0.0108(4) 0.0288(11) Uani 1 1 d . . .
O7 O 0.7041(5) 0.2264(6) -0.1820(5) 0.0382(13) Uani 1 1 d . . .
O8 O 0.5991(5) 0.3320(6) -0.3197(4) 0.0374(13) Uani 1 1 d . . .
O9 O 0.8400(5) 0.7443(6) 0.0398(5) 0.0380(13) Uani 1 1 d . . .
O10 O 0.6730(5) 0.6324(5) -0.1896(4) 0.0335(12) Uani 1 1 d . . .
O11 O 0.7253(5) 0.9117(6) 0.2356(5) 0.0371(13) Uani 1 1 d . . .
O12 O 0.4920(5) 0.9206(6) 0.1290(5) 0.0409(14) Uani 1 1 d . . .
O13 O 0.6309(6) 0.1647(7) -0.5831(5) 0.0520(17) Uani 1 1 d . . .
O14 O 0.7575(6) 0.2260(6) -0.6498(5) 0.0447(15) Uani 1 1 d . . .
O15 O 1.2104(5) 0.1906(8) 0.2762(6) 0.060(2) Uani 1 1 d . . .
O16 O 1.0977(6) 0.0969(6) 0.3333(5) 0.0464(15) Uani 1 1 d . . .
O17 O 0.7180(5) 0.4830(6) -0.4324(5) 0.0448(15) Uani 1 1 d . . .
O18 O 0.8424(5) 0.5652(6) -0.4887(5) 0.0418(14) Uani 1 1 d . . .
N1 N 0.9279(6) 0.1945(7) -0.2989(6) 0.0367(16) Uani 1 1 d . . .
N2 N 0.9084(6) 0.1397(6) -0.0095(5) 0.0289(14) Uani 1 1 d . . .
N3 N 1.0160(6) 0.5253(7) -0.1425(5) 0.0334(15) Uani 1 1 d . . .
C1 C 0.8331(7) 0.1907(8) -0.3874(6) 0.0330(17) Uani 1 1 d . . .
H1A H 0.7571 0.1851 -0.3832 0.040 Uiso 1 1 calc R . .
C2 C 0.8426(7) 0.1948(8) -0.4844(6) 0.0313(16) Uani 1 1 d . . .
C3 C 0.9557(9) 0.2061(11) -0.4887(8) 0.056(3) Uani 1 1 d . . .
H3A H 0.9654 0.2124 -0.5514 0.067 Uiso 1 1 calc R . .
C4 C 1.0536(9) 0.2081(14) -0.4016(9) 0.076(4) Uani 1 1 d . . .
H4A H 1.1299 0.2126 -0.4050 0.092 Uiso 1 1 calc R . .
C5 C 1.0357(8) 0.2031(11) -0.3067(8) 0.057(3) Uani 1 1 d . . .
H5A H 1.1025 0.2060 -0.2462 0.068 Uiso 1 1 calc R . .
C6 C 0.7330(8) 0.1933(8) -0.5774(7) 0.0361(18) Uani 1 1 d . . .
C7 C 1.0053(7) 0.1541(7) 0.0813(6) 0.0270(15) Uani 1 1 d . . .
H7A H 1.0814 0.1915 0.0909 0.032 Uiso 1 1 calc R . .
C8 C 0.9992(7) 0.1159(7) 0.1635(6) 0.0259(15) Uani 1 1 d . . .
C9 C 0.8852(7) 0.0588(8) 0.1471(7) 0.0330(17) Uani 1 1 d . . .
H9A H 0.8769 0.0305 0.1986 0.040 Uiso 1 1 calc R . .
C10 C 0.7860(7) 0.0447(9) 0.0544(7) 0.038(2) Uani 1 1 d . . .
H10A H 0.7091 0.0073 0.0430 0.046 Uiso 1 1 calc R . .
C11 C 0.7977(7) 0.0852(8) -0.0229(7) 0.0354(18) Uani 1 1 d . . .
H11A H 0.7284 0.0751 -0.0853 0.042 Uiso 1 1 calc R . .
C12 C 1.1118(8) 0.1404(8) 0.2629(6) 0.0337(17) Uani 1 1 d . . .
C13 C 0.9198(7) 0.5160(7) -0.2330(6) 0.0268(15) Uani 1 1 d . . .
H13A H 0.8420 0.4910 -0.2381 0.032 Uiso 1 1 calc R . .
C14 C 0.9316(6) 0.5423(7) -0.3197(6) 0.0256(15) Uani 1 1 d . . .
C15 C 1.0473(7) 0.5804(8) -0.3112(7) 0.0331(17) Uani 1 1 d . . .
H15A H 1.0584 0.5992 -0.3673 0.040 Uiso 1 1 calc R . .
C16 C 1.1457(7) 0.5899(9) -0.2185(8) 0.043(2) Uani 1 1 d . . .
H16A H 1.2242 0.6160 -0.2112 0.052 Uiso 1 1 calc R . .
C17 C 1.1281(8) 0.5608(9) -0.1360(7) 0.044(2) Uani 1 1 d . . .
H17A H 1.1955 0.5660 -0.0747 0.052 Uiso 1 1 calc R . .
C18 C 0.8195(7) 0.5276(7) -0.4178(6) 0.0286(16) Uani 1 1 d . . .
OW1 O 1.4205(11) 0.0242(9) 1.3815(12) 0.155(6) Uani 1 1 d . . .
Na1 Na 0.5408(3) 0.4820(3) 0.6120(2) 0.0346(7) Uani 1 1 d . . .
OW3 O 1.4579(5) 0.3292(6) 1.4070(5) 0.0445(15) Uani 1 1 d . . .
OW4 O 0.6462(5) 0.5830(7) 0.3676(5) 0.0521(17) Uani 1 1 d . . .
OW5 O 1.3061(6) 0.1473(7) 1.5137(5) 0.0596(19) Uani 1 1 d . . .
OW2 O 0.5513(7) 0.1776(8) 0.1788(6) 0.078(2) Uani 1 1 d . . .
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'
Mo Mo -1.6832 0.6857 '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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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
_geom_angle_publ_flag
O1 I1 O1 180.000(1) . 2_665 ?
O1 I1 O3 86.6(2) . . ?
O1 I1 O3 93.4(2) 2_665 . ?
O1 I1 O3 93.4(2) . 2_665 ?
O1 I1 O3 86.6(2) 2_665 2_665 ?
O3 I1 O3 180.0(3) . 2_665 ?
O1 I1 O2 92.9(2) . . ?
O1 I1 O2 87.1(2) 2_665 . ?
O3 I1 O2 87.0(2) . . ?
O3 I1 O2 93.0(2) 2_665 . ?
O1 I1 O2 87.1(2) . 2_665 ?
O1 I1 O2 92.9(2) 2_665 2_665 ?
O3 I1 O2 93.0(2) . 2_665 ?
O3 I1 O2 87.0(2) 2_665 2_665 ?
O2 I1 O2 180.0(3) . 2_665 ?
N1 Ag1 N2 167.4(3) . . ?
N1 Ag1 O7 94.1(2) . . ?
N2 Ag1 O7 89.4(2) . . ?
N1 Ag1 Ag2 88.6(2) . . ?
N2 Ag1 Ag2 103.86(17) . . ?
O7 Ag1 Ag2 82.74(14) . . ?
N3 Ag2 N3 180.0(4) 2_765 . ?
N3 Ag2 Ag1 82.82(18) 2_765 . ?
N3 Ag2 Ag1 97.18(18) . . ?
N3 Ag2 Ag1 97.18(18) 2_765 2_765 ?
N3 Ag2 Ag1 82.82(18) . 2_765 ?
Ag1 Ag2 Ag1 180.000(14) . 2_765 ?
O8 Mo1 O7 106.6(3) . . ?
O8 Mo1 O5 99.8(2) . . ?
O7 Mo1 O5 98.4(3) . . ?
O8 Mo1 O4 96.4(2) . . ?
O7 Mo1 O4 99.7(2) . . ?
O5 Mo1 O4 151.1(2) . . ?
O8 Mo1 O1 157.9(2) . . ?
O7 Mo1 O1 94.6(2) . . ?
O5 Mo1 O1 82.80(19) . . ?
O4 Mo1 O1 73.44(18) . . ?
O8 Mo1 O2 91.9(2) . 2_665 ?
O7 Mo1 O2 161.1(2) . 2_665 ?
O5 Mo1 O2 73.77(19) . 2_665 ?
O4 Mo1 O2 81.98(18) . 2_665 ?
O1 Mo1 O2 67.59(15) . 2_665 ?
O9 Mo2 O10 106.1(2) . . ?
O9 Mo2 O6 102.3(3) . . ?
O10 Mo2 O6 97.6(2) . . ?
O9 Mo2 O5 96.4(2) . . ?
O10 Mo2 O5 98.0(2) . . ?
O6 Mo2 O5 151.2(2) . . ?
O9 Mo2 O3 97.2(2) . 2_665 ?
O10 Mo2 O3 156.6(2) . 2_665 ?
O6 Mo2 O3 74.29(18) . 2_665 ?
O5 Mo2 O3 81.85(19) . 2_665 ?
O9 Mo2 O2 162.4(2) . 2_665 ?
O10 Mo2 O2 89.7(2) . 2_665 ?
O6 Mo2 O2 82.83(19) . 2_665 ?
O5 Mo2 O2 73.20(19) . 2_665 ?
O3 Mo2 O2 67.69(16) 2_665 2_665 ?
O11 Mo3 O12 106.3(3) . . ?
O11 Mo3 O4 97.2(2) . 2_665 ?
O12 Mo3 O4 101.9(2) . 2_665 ?
O11 Mo3 O6 99.8(2) . . ?
O12 Mo3 O6 96.1(2) . . ?
O4 Mo3 O6 150.7(2) 2_665 . ?
O11 Mo3 O1 157.9(2) . 2_665 ?
O12 Mo3 O1 95.2(2) . 2_665 ?
O4 Mo3 O1 72.94(19) 2_665 2_665 ?
O6 Mo3 O1 82.60(19) . 2_665 ?
O11 Mo3 O3 92.9(2) . 2_665 ?
O12 Mo3 O3 159.3(2) . 2_665 ?
O4 Mo3 O3 82.81(18) 2_665 2_665 ?
O6 Mo3 O3 72.66(18) . 2_665 ?
O1 Mo3 O3 66.68(16) 2_665 2_665 ?
I1 O1 Mo1 103.67(19) . . ?
I1 O1 Mo3 103.82(19) . 2_665 ?
Mo1 O1 Mo3 90.80(17) . 2_665 ?
I1 O2 Mo1 101.63(19) . 2_665 ?
I1 O2 Mo2 101.5(2) . 2_665 ?
Mo1 O2 Mo2 89.56(16) 2_665 2_665 ?
I1 O3 Mo2 103.9(2) . 2_665 ?
I1 O3 Mo3 102.9(2) . 2_665 ?
Mo2 O3 Mo3 90.44(16) 2_665 2_665 ?
Mo3 O4 Mo1 117.4(2) 2_665 . ?
Mo1 O5 Mo2 118.7(2) . . ?
Mo2 O6 Mo3 117.6(2) . . ?
Mo1 O7 Ag1 145.0(3) . . ?
Mo1 O8 Na1 132.1(3) . 1_554 ?
Mo2 O10 Na1 135.1(3) . 1_554 ?
C18 O17 Na1 155.5(6) . 1_554 ?
C5 N1 C1 117.2(7) . . ?
C5 N1 Ag1 117.2(5) . . ?
C1 N1 Ag1 125.6(5) . . ?
C7 N2 C11 117.9(6) . . ?
C7 N2 Ag1 123.0(5) . . ?
C11 N2 Ag1 119.0(5) . . ?
C13 N3 C17 118.3(6) . . ?
C13 N3 Ag2 123.2(5) . . ?
C17 N3 Ag2 118.3(5) . . ?
N1 C1 C2 123.4(7) . . ?
N1 C1 H1A 118.3 . . ?
C2 C1 H1A 118.3 . . ?
C3 C2 C1 118.0(7) . . ?
C3 C2 C6 122.1(7) . . ?
C1 C2 C6 119.9(7) . . ?
C4 C3 C2 120.2(8) . . ?
C4 C3 H3A 119.9 . . ?
C2 C3 H3A 119.9 . . ?
C3 C4 C5 118.0(8) . . ?
C3 C4 H4A 121.0 . . ?
C5 C4 H4A 121.0 . . ?
N1 C5 C4 123.2(8) . . ?
N1 C5 H5A 118.4 . . ?
C4 C5 H5A 118.4 . . ?
O13 C6 O14 124.1(8) . . ?
O13 C6 C2 121.7(7) . . ?
O14 C6 C2 114.1(7) . . ?
N2 C7 C8 123.5(7) . . ?
N2 C7 H7A 118.2 . . ?
C8 C7 H7A 118.2 . . ?
C9 C8 C7 117.6(7) . . ?
C9 C8 C12 123.5(6) . . ?
C7 C8 C12 118.9(7) . . ?
C10 C9 C8 118.8(7) . . ?
C10 C9 H9A 120.6 . . ?
C8 C9 H9A 120.6 . . ?
C9 C10 C11 120.9(7) . . ?
C9 C10 H10A 119.5 . . ?
C11 C10 H10A 119.5 . . ?
N2 C11 C10 121.2(7) . . ?
N2 C11 H11A 119.4 . . ?
C10 C11 H11A 119.4 . . ?
O15 C12 O16 122.5(8) . . ?
O15 C12 C8 122.8(7) . . ?
O16 C12 C8 114.6(7) . . ?
N3 C13 C14 122.7(7) . . ?
N3 C13 H13A 118.6 . . ?
C14 C13 H13A 118.6 . . ?
C15 C14 C13 118.4(7) . . ?
C15 C14 C18 122.8(6) . . ?
C13 C14 C18 118.9(6) . . ?
C16 C15 C14 118.9(7) . . ?
C16 C15 H15A 120.5 . . ?
C14 C15 H15A 120.5 . . ?
C15 C16 C17 120.1(7) . . ?
C15 C16 H16A 120.0 . . ?
C17 C16 H16A 120.0 . . ?
N3 C17 C16 121.6(7) . . ?
N3 C17 H17A 119.2 . . ?
C16 C17 H17A 119.2 . . ?
O17 C18 O18 123.6(7) . . ?
O17 C18 C14 123.2(7) . . ?
O18 C18 C14 113.2(6) . . ?
OW3 Na1 O10 164.8(2) 1_454 1_556 ?
OW3 Na1 O17 79.1(2) 1_454 1_556 ?
O10 Na1 O17 85.8(2) 1_556 1_556 ?
OW3 Na1 OW3 98.1(2) 1_454 2_767 ?
O10 Na1 OW3 81.8(2) 1_556 2_767 ?
O17 Na1 OW3 83.2(2) 1_556 2_767 ?
OW3 Na1 O8 95.5(2) 1_454 1_556 ?
O10 Na1 O8 82.1(2) 1_556 1_556 ?
O17 Na1 O8 88.3(2) 1_556 1_556 ?
OW3 Na1 O8 162.3(2) 2_767 1_556 ?
OW3 Na1 OW4 91.1(2) 1_454 2_666 ?
O10 Na1 OW4 103.2(2) 1_556 2_666 ?
O17 Na1 OW4 164.1(3) 1_556 2_666 ?
OW3 Na1 OW4 110.7(2) 2_767 2_666 ?
O8 Na1 OW4 80.2(2) 1_556 2_666 ?
OW3 Na1 Na1 49.43(17) 1_454 2_666 ?
O10 Na1 Na1 128.5(2) 1_556 2_666 ?
O17 Na1 Na1 76.51(17) 1_556 2_666 ?
OW3 Na1 Na1 48.66(16) 2_767 2_666 ?
O8 Na1 Na1 143.5(2) 1_556 2_666 ?
OW4 Na1 Na1 106.63(19) 2_666 2_666 ?
Na1 OW3 Na1 81.9(2) 1_656 2_767 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
I1 O1 1.876(5) . ?
I1 O1 1.876(5) 2_665 ?
I1 O3 1.883(5) . ?
I1 O3 1.883(5) 2_665 ?
I1 O2 1.887(4) . ?
I1 O2 1.887(4) 2_665 ?
Ag1 N1 2.178(6) . ?
Ag1 N2 2.191(6) . ?
Ag1 O7 2.586(5) . ?
Ag1 Ag2 3.2423(15) . ?
Ag2 N3 2.153(6) 2_765 ?
Ag2 N3 2.153(6) . ?
Ag2 Ag1 3.2423(15) 2_765 ?
Mo1 O8 1.703(5) . ?
Mo1 O7 1.711(5) . ?
Mo1 O5 1.916(5) . ?
Mo1 O4 1.939(5) . ?
Mo1 O1 2.307(4) . ?
Mo1 O2 2.353(5) 2_665 ?
Mo2 O9 1.703(5) . ?
Mo2 O10 1.716(4) . ?
Mo2 O6 1.922(5) . ?
Mo2 O5 1.941(5) . ?
Mo2 O3 2.298(4) 2_665 ?
Mo2 O2 2.359(5) 2_665 ?
Mo3 O11 1.709(6) . ?
Mo3 O12 1.711(5) . ?
Mo3 O4 1.929(4) 2_665 ?
Mo3 O6 1.939(5) . ?
Mo3 O1 2.336(5) 2_665 ?
Mo3 O3 2.355(5) 2_665 ?
O1 Mo3 2.336(5) 2_665 ?
O2 Mo1 2.353(5) 2_665 ?
O2 Mo2 2.359(5) 2_665 ?
O3 Mo2 2.298(4) 2_665 ?
O3 Mo3 2.355(5) 2_665 ?
O4 Mo3 1.929(4) 2_665 ?
O8 Na1 2.413(6) 1_554 ?
O10 Na1 2.370(6) 1_554 ?
O13 C6 1.216(10) . ?
O14 C6 1.313(9) . ?
O15 C12 1.208(10) . ?
O16 C12 1.325(9) . ?
O17 C18 1.212(9) . ?
O17 Na1 2.387(6) 1_554 ?
O18 C18 1.322(9) . ?
N1 C5 1.330(10) . ?
N1 C1 1.343(9) . ?
N2 C7 1.327(9) . ?
N2 C11 1.357(9) . ?
N3 C13 1.343(9) . ?
N3 C17 1.345(10) . ?
C1 C2 1.382(10) . ?
C1 H1A 0.9300 . ?
C2 C3 1.376(11) . ?
C2 C6 1.493(11) . ?
C3 C4 1.361(12) . ?
C3 H3A 0.9300 . ?
C4 C5 1.400(12) . ?
C4 H4A 0.9300 . ?
C5 H5A 0.9300 . ?
C7 C8 1.402(9) . ?
C7 H7A 0.9300 . ?
C8 C9 1.388(10) . ?
C8 C12 1.467(10) . ?
C9 C10 1.360(11) . ?
C9 H9A 0.9300 . ?
C10 C11 1.378(10) . ?
C10 H10A 0.9300 . ?
C11 H11A 0.9300 . ?
C13 C14 1.393(9) . ?
C13 H13A 0.9300 . ?
C14 C15 1.381(10) . ?
C14 C18 1.489(10) . ?
C15 C16 1.373(11) . ?
C15 H15A 0.9300 . ?
C16 C17 1.384(11) . ?
C16 H16A 0.9300 . ?
C17 H17A 0.9300 . ?
Na1 OW3 2.364(6) 1_454 ?
Na1 O10 2.370(6) 1_556 ?
Na1 O17 2.387(6) 1_556 ?
Na1 OW3 2.392(7) 2_767 ?
Na1 O8 2.413(6) 1_556 ?
Na1 OW4 2.462(7) 2_666 ?
Na1 Na1 3.118(5) 2_666 ?
OW3 Na1 2.364(6) 1_656 ?
OW3 Na1 2.392(7) 2_767 ?
OW4 Na1 2.462(7) 2_666 ?
