#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:29:45 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180508 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/77/7217746.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_7217746
loop_
_publ_author_name
'Shen, Yali'
'Lu, Jialin'
'Tang, Chunying'
'Wang, Fang'
'Zhang, Yong'
'Jia, Dingxian'
_publ_section_title
;
 Polymeric templates and solvent effects: syntheses and properties of
 polymeric iodoargentates containing solvated [Mn(4,4′-bpy)]2+
 cations
;
_journal_name_full               'RSC Advances'
_journal_paper_doi               10.1039/C4RA08121H
_journal_year                    2014
_chemical_formula_moiety         'C36 H64 Ag11 I15 Mn2 N4 O8 S8'
_chemical_formula_sum            'C36 H64 Ag11 I15 Mn2 N4 O8 S8'
_chemical_formula_weight         4137.34
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 94.218(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.2323(12)
_cell_length_b                   34.488(5)
_cell_length_c                   15.856(2)
_cell_measurement_reflns_used    15547
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.0
_cell_volume                     4489.6(11)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_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  0.0740
_diffrn_reflns_av_sigmaI/netI    0.0792
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            36858
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.05
_exptl_absorpt_coefficient_mu    7.992
_exptl_absorpt_correction_T_max  0.2978
_exptl_absorpt_correction_T_min  0.1342
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.060
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3724
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.240
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         8164
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0411
_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)+(0.1513P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1030
_refine_ls_wR_factor_ref         0.1350
_reflns_number_gt                4731
_reflns_number_total             8164
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ra08121h2.cif
_cod_data_source_block           shelxl
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7217746
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.5939(3) 0.32674(8) 0.77996(16) 0.0607(7) Uani 1 1 d .
Ag2 Ag 0.1880(3) 0.33407(8) 0.77845(16) 0.0609(8) Uani 1 1 d .
Ag3 Ag 0.1793(3) 0.42358(8) 0.71442(15) 0.0604(7) Uani 1 1 d .
Ag4 Ag 0.5803(3) 0.42408(8) 0.71382(14) 0.0667(7) Uani 1 1 d .
Ag5 Ag 0.4253(2) 0.45144(6) 0.86594(12) 0.0696(6) Uani 1 1 d .
Ag6 Ag 0.8967(4) 0.38090(10) 0.76164(18) 0.0560(7) Uani 0.50 1 d P
I1 I 0.37710(15) 0.36426(4) 0.63829(8) 0.0554(4) Uani 1 1 d .
I2 I 0.3838(2) 0.28006(5) 0.86705(10) 0.0734(5) Uani 1 1 d .
I3 I -0.11718(18) 0.30458(5) 0.69853(9) 0.0682(4) Uani 1 1 d .
I4 I 0.15732(15) 0.40100(5) 0.89051(8) 0.0642(4) Uani 1 1 d .
I5 I 0.37868(17) 0.49298(4) 0.71255(8) 0.0613(4) Uani 1 1 d .
I6 I 0.86354(17) 0.43355(5) 0.62420(9) 0.0672(4) Uani 1 1 d .
I7 I 0.67590(15) 0.39360(4) 0.88665(8) 0.0592(4) Uani 1 1 d .
I8 I 0.5000 0.5000 1.0000 0.1292(14) Uani 1 2 d S
Mn1 Mn 0.8768(3) 0.63605(7) 0.73157(14) 0.0436(6) Uani 1 1 d .
N1 N 0.9914(19) 0.6762(4) 0.8334(8) 0.045(3) Uani 1 1 d .
N2 N 1.2849(15) 0.8140(4) 1.1418(9) 0.042(3) Uani 1 1 d .
C1 C 1.028(2) 0.7120(6) 0.8143(12) 0.057(5) Uani 1 1 d .
H1 H 1.0094 0.7197 0.7582 0.068 Uiso 1 1 calc R
C2 C 1.094(2) 0.7396(5) 0.8732(12) 0.053(5) Uani 1 1 d .
H2 H 1.1295 0.7636 0.8552 0.063 Uiso 1 1 calc R
C3 C 1.104(2) 0.7304(5) 0.9566(9) 0.040(4) Uani 1 1 d .
C4 C 1.071(2) 0.6922(6) 0.9775(10) 0.049(4) Uani 1 1 d .
H4 H 1.0794 0.6844 1.0338 0.058 Uiso 1 1 calc R
C5 C 1.026(3) 0.6671(5) 0.9172(14) 0.055(6) Uani 1 1 d .
H5 H 1.0170 0.6412 0.9327 0.078 Uiso 1 1 calc R
C6 C 1.333(2) 0.8148(5) 1.0627(11) 0.046(4) Uani 1 1 d .
H6 H 1.4048 0.8341 1.0483 0.056 Uiso 1 1 calc R
C7 C 1.2797(19) 0.7877(5) 1.0014(10) 0.042(4) Uani 1 1 d .
H7 H 1.3177 0.7887 0.9476 0.050 Uiso 1 1 calc R
C8 C 1.167(2) 0.7588(5) 1.0220(9) 0.039(4) Uani 1 1 d .
C9 C 1.125(2) 0.7593(6) 1.1022(12) 0.058(5) Uani 1 1 d .
H9 H 1.0557 0.7401 1.1200 0.069 Uiso 1 1 calc R
C10 C 1.182(2) 0.7879(5) 1.1597(10) 0.045(4) Uani 1 1 d .
H10 H 1.1430 0.7879 1.2134 0.054 Uiso 1 1 calc R
O1 O 0.6459(18) 0.6426(5) 0.7884(7) 0.068(4) Uani 1 1 d D
O2 O 1.0931(13) 0.6355(4) 0.6588(8) 0.057(3) Uani 1 1 d D
O3 O 0.7752(15) 0.5943(3) 0.6439(7) 0.051(3) Uani 1 1 d D
O4 O 0.963(2) 0.5906(4) 0.8118(9) 0.070(5) Uani 1 1 d D
S1 S 0.6055(7) 0.6379(3) 0.8770(3) 0.071(3) Uani 1 1 d D
S2 S 1.2647(6) 0.6493(2) 0.6525(4) 0.066(18) Uani 1 1 d D
S3A S 0.8382(8) 0.57821(18) 0.5640(3) 0.0467(14) Uani 0.73 1 d PD
S3B S 0.787(2) 0.5527(5) 0.6247(12) 0.080(6) Uani 0.27 1 d PD
S4A S 0.9841(11) 0.5490(3) 0.8163(5) 0.054(2) Uani 0.54 1 d PD
S4B S 0.9023(14) 0.5580(4) 0.8618(8) 0.069(3) Uani 0.46 1 d PD
C11 C 0.431(4) 0.6095(10) 0.873(2) 0.074(15) Uani 1 1 d D
H11A H 0.3871 0.6073 0.8151 0.086 Uiso 1 1 calc R
H11B H 0.3516 0.6213 0.9060 0.086 Uiso 1 1 calc R
H11C H 0.4575 0.5841 0.8946 0.086 Uiso 1 1 calc R
C12 C 0.527(5) 0.6828(6) 0.900(3) 0.071(15) Uani 1 1 d D
H12A H 0.4977 0.6965 0.8489 0.086 Uiso 1 1 calc R
H12B H 0.6078 0.6974 0.9339 0.086 Uiso 1 1 calc R
H12C H 0.4324 0.6795 0.9316 0.086 Uiso 1 1 calc R
C13 C 1.382(3) 0.6077(7) 0.634(2) 0.073(15) Uani 1 1 d D
H13A H 1.4074 0.5943 0.6859 0.094 Uiso 1 1 calc R
H13B H 1.4804 0.6153 0.6096 0.094 Uiso 1 1 calc R
H13C H 1.3202 0.5908 0.5949 0.094 Uiso 1 1 calc R
C14 C 1.270(4) 0.6699(8) 0.5503(13) 0.072(11) Uani 1 1 d D
H14A H 1.2117 0.6535 0.5096 0.089 Uiso 1 1 calc R
H14B H 1.3808 0.6724 0.5363 0.089 Uiso 1 1 calc R
H14C H 1.2196 0.6951 0.5496 0.089 Uiso 1 1 calc R
C15 C 0.684(2) 0.5447(6) 0.5272(13) 0.066(9) Uani 1 1 d D
C16 C 0.988(2) 0.5437(7) 0.5955(15) 0.064(8) Uani 1 1 d D
C17 C 0.826(4) 0.5158(8) 0.815(2) 0.068(2) Uani 1 1 d D
C18 C 1.080(3) 0.5376(9) 0.9163(15) 0.078(12) Uani 1 1 d 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'
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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
I2 Ag1 I3 128.79(11) . 1_655
I2 Ag1 I7 107.11(9) . .
I3 Ag1 I7 107.80(9) 1_655 .
I2 Ag1 I1 104.94(9) . .
I3 Ag1 I1 103.83(9) 1_655 .
I7 Ag1 I1 100.96(9) . .
I2 Ag2 Ag6 150.38(12) . 1_455
I2 Ag2 I3 115.84(10) . .
Ag6 Ag2 I3 58.08(9) 1_455 .
I2 Ag2 I4 107.09(10) . .
Ag6 Ag2 I4 60.53(9) 1_455 .
I3 Ag2 I4 115.35(9) . .
I2 Ag2 I1 107.15(9) . .
Ag6 Ag2 I1 102.17(10) 1_455 .
I3 Ag2 I1 106.12(9) . .
I4 Ag2 I1 104.39(9) . .
I6 Ag3 Ag6 58.60(8) 1_455 1_455
I6 Ag3 I5 112.63(9) 1_455 .
Ag6 Ag3 I5 152.45(12) 1_455 .
I6 Ag3 I4 112.83(8) 1_455 .
Ag6 Ag3 I4 60.63(8) 1_455 .
I5 Ag3 I4 107.74(9) . .
I6 Ag3 I1 112.68(9) 1_455 .
Ag6 Ag3 I1 103.46(11) 1_455 .
I5 Ag3 I1 103.87(8) . .
I4 Ag3 I1 106.47(9) . .
I6 Ag4 I1 110.49(9) . .
I6 Ag4 I5 113.16(10) . .
I1 Ag4 I5 105.75(8) . .
I6 Ag4 I7 109.22(8) . .
I1 Ag4 I7 103.70(9) . .
I5 Ag4 I7 114.03(8) . .
I8 Ag5 I5 111.49(8) . .
I8 Ag5 I4 113.42(7) . .
I5 Ag5 I4 111.63(7) . .
I8 Ag5 I7 102.57(7) . .
I5 Ag5 I7 120.14(8) . .
I4 Ag5 I7 96.72(8) . .
I3 Ag6 I7 112.55(11) 1_655 .
I3 Ag6 I6 109.06(11) 1_655 .
I7 Ag6 I6 114.21(11) . .
I3 Ag6 Ag2 61.42(9) 1_655 1_655
I7 Ag6 Ag2 126.58(12) . 1_655
I6 Ag6 Ag2 117.50(11) . 1_655
I3 Ag6 Ag3 113.30(11) 1_655 1_655
I7 Ag6 Ag3 132.37(13) . 1_655
I6 Ag6 Ag3 60.64(8) . 1_655
Ag2 Ag6 Ag3 68.34(10) 1_655 1_655
I3 Ag6 I4 118.48(11) 1_655 1_655
I7 Ag6 I4 87.13(9) . 1_655
I6 Ag6 I4 114.08(12) . 1_655
Ag2 Ag6 I4 60.55(9) 1_655 1_655
Ag3 Ag6 I4 60.01(8) 1_655 1_655
Ag4 I1 Ag3 69.49(8) . .
Ag4 I1 Ag2 105.07(8) . .
Ag3 I1 Ag2 66.53(7) . .
Ag4 I1 Ag1 72.88(8) . .
Ag3 I1 Ag1 107.78(8) . .
Ag2 I1 Ag1 67.29(7) . .
Ag2 I2 Ag1 73.82(9) . .
Ag6 I3 Ag1 66.88(8) 1_455 1_455
Ag6 I3 Ag2 60.50(8) 1_455 .
Ag1 I3 Ag2 115.15(9) 1_455 .
Ag5 I4 Ag3 66.69(7) . .
Ag5 I4 Ag6 125.51(9) . 1_455
Ag3 I4 Ag6 59.36(8) . 1_455
Ag5 I4 Ag2 107.12(8) . .
Ag3 I4 Ag2 67.44(8) . .
Ag6 I4 Ag2 58.92(8) 1_455 .
Ag5 I5 Ag4 62.38(7) . .
Ag5 I5 Ag3 67.31(7) . .
Ag4 I5 Ag3 69.37(8) . .
Ag6 I6 Ag4 65.00(8) . .
Ag6 I6 Ag3 60.76(8) . 1_655
Ag4 I6 Ag3 118.70(8) . 1_655
Ag6 I7 Ag5 121.49(9) . .
Ag6 I7 Ag1 66.57(9) . .
Ag5 I7 Ag1 110.49(8) . .
Ag6 I7 Ag4 63.24(8) . .
Ag5 I7 Ag4 60.78(6) . .
Ag1 I7 Ag4 73.21(8) . .
Ag5 I8 Ag5 180.00(7) 3_667 .
O4 Mn1 O3 89.4(5) . .
O4 Mn1 O1 95.3(6) . .
O3 Mn1 O1 91.5(5) . .
O4 Mn1 O2 93.5(6) . .
O3 Mn1 O2 86.9(5) . .
O1 Mn1 O2 171.1(5) . .
O4 Mn1 N1 85.4(6) . .
O3 Mn1 N1 174.9(5) . .
O1 Mn1 N1 88.5(5) . .
O2 Mn1 N1 93.9(5) . .
O4 Mn1 N2 179.2(6) . 4_575
O3 Mn1 N2 90.4(5) . 4_575
O1 Mn1 N2 85.5(5) . 4_575
O2 Mn1 N2 85.7(5) . 4_575
N1 Mn1 N2 94.7(5) . 4_575
C1 N1 C5 113.7(15) . .
C1 N1 Mn1 119.9(11) . .
C5 N1 Mn1 126.3(11) . .
C10 N2 C6 117.8(15) . .
C10 N2 Mn1 125.1(11) . 4_676
C6 N2 Mn1 116.8(10) . 4_676
N1 C1 C2 124.4(17) . .
N1 C1 H1 117.8 . .
C2 C1 H1 117.8 . .
C3 C2 C1 118.7(17) . .
C3 C2 H2 120.7 . .
C1 C2 H2 120.7 . .
C2 C3 C4 117.1(15) . .
C2 C3 C8 121.1(14) . .
C4 C3 C8 121.4(13) . .
C5 C4 C3 119.8(17) . .
C5 C4 H4 120.1 . .
C3 C4 H4 120.0 . .
C4 C5 N1 125.2(18) . .
C4 C5 H5 117.4 . .
N1 C5 H5 117.4 . .
N2 C6 C7 122.6(15) . .
N2 C6 H6 118.8 . .
C7 C6 H6 118.7 . .
C6 C7 C8 119.2(14) . .
C6 C7 H7 120.4 . .
C8 C7 H7 120.3 . .
C9 C8 C7 115.3(15) . .
C9 C8 C3 124.6(16) . .
C7 C8 C3 120.1(14) . .
C8 C9 C10 122.0(17) . .
C8 C9 H9 119.0 . .
C10 C9 H9 119.1 . .
N2 C10 C9 123.0(16) . .
N2 C10 H10 118.5 . .
C9 C10 H10 118.5 . .
S1 O1 Mn1 130.4(9) . .
S2 O2 Mn1 146.8(9) . .
S3B O3 S3A 55.6(9) . .
S3B O3 Mn1 139.9(11) . .
S3A O3 Mn1 130.9(7) . .
S4A O4 S4B 42.8(6) . .
S4A O4 Mn1 143.2(10) . .
S4B O4 Mn1 140.8(12) . .
O1 S1 C12 102.7(15) . .
O1 S1 C11 105.6(14) . .
C12 S1 C11 101.1(12) . .
O2 S2 C13 106.2(12) . .
O2 S2 C14 105.9(13) . .
C13 S2 C14 96.9(10) . .
O3 S3A C16 106.7(10) . .
O3 S3A C15 103.6(10) . .
C16 S3A C15 97.0(9) . .
O3 S3B C15 107.6(14) . .
O3 S3B C16 107.6(14) . .
C15 S3B C16 98.3(11) . .
O4 S4A C17 124.5(15) . .
O4 S4A C18 108.1(12) . .
C17 S4A C18 98.8(11) . .
O4 S4B C17 122.1(14) . .
O4 S4B C18 105.2(13) . .
C17 S4B C18 97.7(12) . .
S1 C11 H11A 109.0 . .
S1 C11 H11B 110.4 . .
H11A C11 H11B 109.9 . .
S1 C11 H11C 111.0 . .
H11A C11 H11C 109.1 . .
H11B C11 H11C 109.1 . .
S1 C12 H12A 109.7 . .
S1 C12 H12B 109.2 . .
H12A C12 H12B 109.5 . .
S1 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
S2 C13 H13A 109.5 . .
S2 C13 H13B 109.2 . .
H13A C13 H13B 109.4 . .
S2 C13 H13C 109.8 . .
H13A C13 H13C 109.4 . .
H13B C13 H13C 109.5 . .
S2 C14 H14A 109.5 . .
S2 C14 H14B 109.6 . .
H14A C14 H14B 109.4 . .
S2 C14 H14C 109.5 . .
H14A C14 H14C 109.4 . .
H14B C14 H14C 109.4 . .
S3B C15 S3A 46.7(8) . .
S3A C16 S3B 46.3(8) . .
S4A C17 S4B 35.9(5) . .
S4A C18 S4B 35.0(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 I2 2.800(3) .
Ag1 I3 2.892(3) 1_655
Ag1 I7 2.910(3) .
Ag1 I1 3.052(3) .
Ag2 I2 2.776(3) .
Ag2 Ag6 2.887(4) 1_455
Ag2 I3 2.913(3) .
Ag2 I4 2.935(3) .
Ag2 I1 2.992(3) .
Ag3 I6 2.894(3) 1_455
Ag3 Ag6 2.898(4) 1_455
Ag3 I5 2.904(3) .
Ag3 I4 2.917(3) .
Ag3 I1 2.930(3) .
Ag4 I6 2.837(2) .
Ag4 I1 2.862(3) .
Ag4 I5 2.898(3) .
Ag4 I7 2.986(3) .
Ag5 I8 2.7403(19) .
Ag5 I5 2.825(2) .
Ag5 I4 2.859(2) .
Ag5 I7 2.871(2) .
Ag6 I3 2.815(4) 1_655
Ag6 I7 2.821(3) .
Ag6 I6 2.834(3) .
Ag6 Ag2 2.887(4) 1_655
Ag6 Ag3 2.898(4) 1_655
Ag6 I4 2.935(3) 1_655
I3 Ag6 2.815(4) 1_455
I3 Ag1 2.892(3) 1_455
I4 Ag6 2.935(3) 1_455
I6 Ag3 2.894(3) 1_655
I8 Ag5 2.7403(19) 3_667
Mn1 O4 2.107(12) .
Mn1 O3 2.128(11) .
Mn1 O1 2.174(14) .
Mn1 O2 2.192(11) .
Mn1 N1 2.277(13) .
Mn1 N2 2.325(14) 4_575
N1 C1 1.31(2) .
N1 C5 1.37(2) .
N2 C10 1.28(2) .
N2 C6 1.34(2) .
N2 Mn1 2.325(14) 4_676
C1 C2 1.41(3) .
C1 H1 0.9300 .
C2 C3 1.36(2) .
C2 H2 0.9300 .
C3 C4 1.39(2) .
C3 C8 1.49(2) .
C4 C5 1.32(3) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C7 1.39(2) .
C6 H6 0.9300 .
C7 C8 1.42(2) .
C7 H7 0.9300 .
C8 C9 1.34(2) .
C9 C10 1.40(2) .
C9 H9 0.9300 .
C10 H10 0.9300 .
O1 S1 1.476(11) .
O2 S2 1.501(11) .
O3 S3B 1.474(17) .
O3 S3A 1.510(10) .
O4 S4A 1.449(13) .
O4 S4B 1.484(14) .
S1 C12 1.731(18) .
S1 C11 1.736(18) .
S2 C13 1.767(16) .
S2 C14 1.773(16) .
S3A C16 1.762(15) .
S3A C15 1.779(15) .
S3B C15 1.730(17) .
S3B C16 1.778(17) .
S4A C17 1.733(17) .
S4A C18 1.763(16) .
S4B C17 1.734(18) .
S4B C18 1.789(17) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9604 .
C13 H13C 0.9604 .
C14 H14A 0.9611 .
C14 H14B 0.9611 .
C14 H14C 0.9611 .
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
I6 Ag4 I1 Ag3 -148.81(11) . .
I5 Ag4 I1 Ag3 -26.02(8) . .
I7 Ag4 I1 Ag3 94.26(8) . .
I6 Ag4 I1 Ag2 153.94(9) . .
I5 Ag4 I1 Ag2 -83.26(9) . .
I7 Ag4 I1 Ag2 37.01(9) . .
I6 Ag4 I1 Ag1 94.03(10) . .
I5 Ag4 I1 Ag1 -143.17(9) . .
I7 Ag4 I1 Ag1 -22.90(7) . .
I6 Ag3 I1 Ag4 147.92(10) 1_455 .
Ag6 Ag3 I1 Ag4 -150.80(11) 1_455 .
I5 Ag3 I1 Ag4 25.72(8) . .
I4 Ag3 I1 Ag4 -87.88(9) . .
I6 Ag3 I1 Ag2 -94.37(10) 1_455 .
Ag6 Ag3 I1 Ag2 -33.10(10) 1_455 .
I5 Ag3 I1 Ag2 143.43(10) . .
I4 Ag3 I1 Ag2 29.83(8) . .
I6 Ag3 I1 Ag1 -148.83(9) 1_455 .
Ag6 Ag3 I1 Ag1 -87.55(11) 1_455 .
I5 Ag3 I1 Ag1 88.98(9) . .
I4 Ag3 I1 Ag1 -24.63(11) . .
I2 Ag2 I1 Ag4 -83.50(11) . .
Ag6 Ag2 I1 Ag4 92.22(11) 1_455 .
I3 Ag2 I1 Ag4 152.17(9) . .
I4 Ag2 I1 Ag4 29.87(10) . .
I2 Ag2 I1 Ag3 -142.68(12) . .
Ag6 Ag2 I1 Ag3 33.04(10) 1_455 .
I3 Ag2 I1 Ag3 92.99(9) . .
I4 Ag2 I1 Ag3 -29.30(8) . .
I2 Ag2 I1 Ag1 -19.81(9) . .
Ag6 Ag2 I1 Ag1 155.91(12) 1_455 .
I3 Ag2 I1 Ag1 -144.14(10) . .
I4 Ag2 I1 Ag1 93.56(9) . .
I2 Ag1 I1 Ag4 134.49(10) . .
I3 Ag1 I1 Ag4 -88.34(9) 1_655 .
I7 Ag1 I1 Ag4 23.27(7) . .
I2 Ag1 I1 Ag3 73.42(10) . .
I3 Ag1 I1 Ag3 -149.41(8) 1_655 .
I7 Ag1 I1 Ag3 -37.79(10) . .
I2 Ag1 I1 Ag2 19.41(9) . .
I3 Ag1 I1 Ag2 156.58(11) 1_655 .
I7 Ag1 I1 Ag2 -91.80(9) . .
Ag6 Ag2 I2 Ag1 -150.7(3) 1_455 .
I3 Ag2 I2 Ag1 138.96(11) . .
I4 Ag2 I2 Ag1 -90.75(10) . .
I1 Ag2 I2 Ag1 20.78(9) . .
I3 Ag1 I2 Ag2 -142.26(14) 1_655 .
I7 Ag1 I2 Ag2 86.61(10) . .
I1 Ag1 I2 Ag2 -20.12(9) . .
I2 Ag2 I3 Ag6 146.75(13) . 1_455
I4 Ag2 I3 Ag6 20.54(10) . 1_455
I1 Ag2 I3 Ag6 -94.50(10) . 1_455
I2 Ag2 I3 Ag1 106.56(12) . 1_455
Ag6 Ag2 I3 Ag1 -40.19(11) 1_455 1_455
I4 Ag2 I3 Ag1 -19.66(14) . 1_455
I1 Ag2 I3 Ag1 -134.69(9) . 1_455
I8 Ag5 I4 Ag3 147.47(10) . .
I5 Ag5 I4 Ag3 20.51(8) . .
I7 Ag5 I4 Ag3 -105.69(8) . .
I8 Ag5 I4 Ag6 139.07(10) . 1_455
I5 Ag5 I4 Ag6 12.11(14) . 1_455
I7 Ag5 I4 Ag6 -114.08(11) . 1_455
I8 Ag5 I4 Ag2 -157.28(8) . .
I5 Ag5 I4 Ag2 75.76(10) . .
I7 Ag5 I4 Ag2 -50.43(9) . .
I6 Ag3 I4 Ag5 -144.40(12) 1_455 .
Ag6 Ag3 I4 Ag5 -172.06(11) 1_455 .
I5 Ag3 I4 Ag5 -19.43(8) . .
I1 Ag3 I4 Ag5 91.50(9) . .
I6 Ag3 I4 Ag6 27.66(10) 1_455 1_455
I5 Ag3 I4 Ag6 152.64(12) . 1_455
I1 Ag3 I4 Ag6 -96.44(11) . 1_455
I6 Ag3 I4 Ag2 93.86(11) 1_455 .
Ag6 Ag3 I4 Ag2 66.19(10) 1_455 .
I5 Ag3 I4 Ag2 -141.17(10) . .
I1 Ag3 I4 Ag2 -30.25(8) . .
I2 Ag2 I4 Ag5 87.84(10) . .
Ag6 Ag2 I4 Ag5 -121.60(10) 1_455 .
I3 Ag2 I4 Ag5 -141.60(9) . .
I1 Ag2 I4 Ag5 -25.58(10) . .
I2 Ag2 I4 Ag3 142.64(11) . .
Ag6 Ag2 I4 Ag3 -66.80(9) 1_455 .
I3 Ag2 I4 Ag3 -86.80(10) . .
I1 Ag2 I4 Ag3 29.22(8) . .
I2 Ag2 I4 Ag6 -150.56(13) . 1_455
I3 Ag2 I4 Ag6 -20.00(9) . 1_455
I1 Ag2 I4 Ag6 96.02(10) . 1_455
I8 Ag5 I5 Ag4 133.74(9) . .
I4 Ag5 I5 Ag4 -98.26(9) . .
I7 Ag5 I5 Ag4 13.80(8) . .
I8 Ag5 I5 Ag3 -148.51(9) . .
I4 Ag5 I5 Ag3 -20.51(8) . .
I7 Ag5 I5 Ag3 91.56(10) . .
I6 Ag4 I5 Ag5 -138.20(11) . .
I1 Ag4 I5 Ag5 100.73(9) . .
I7 Ag4 I5 Ag5 -12.54(8) . .
I6 Ag4 I5 Ag3 147.37(10) . .
I1 Ag4 I5 Ag3 26.29(8) . .
I7 Ag4 I5 Ag3 -86.98(9) . .
I6 Ag3 I5 Ag5 144.67(10) 1_455 .
Ag6 Ag3 I5 Ag5 79.6(2) 1_455 .
I4 Ag3 I5 Ag5 19.58(8) . .
I1 Ag3 I5 Ag5 -93.11(9) . .
I6 Ag3 I5 Ag4 -147.63(10) 1_455 .
Ag6 Ag3 I5 Ag4 147.3(2) 1_455 .
I4 Ag3 I5 Ag4 87.28(9) . .
I1 Ag3 I5 Ag4 -25.41(8) . .
I3 Ag6 I6 Ag4 103.15(12) 1_655 .
I7 Ag6 I6 Ag4 -23.75(10) . .
Ag2 Ag6 I6 Ag4 170.15(16) 1_655 .
Ag3 Ag6 I6 Ag4 -150.24(11) 1_655 .
I4 Ag6 I6 Ag4 -121.84(13) 1_655 .
I3 Ag6 I6 Ag3 -106.60(12) 1_655 1_655
I7 Ag6 I6 Ag3 126.50(15) . 1_655
Ag2 Ag6 I6 Ag3 -39.61(12) 1_655 1_655
I4 Ag6 I6 Ag3 28.40(9) 1_655 1_655
I1 Ag4 I6 Ag6 -91.90(11) . .
I5 Ag4 I6 Ag6 149.74(12) . .
I7 Ag4 I6 Ag6 21.55(10) . .
I1 Ag4 I6 Ag3 -121.48(10) . 1_655
I5 Ag4 I6 Ag3 120.16(10) . 1_655
I7 Ag4 I6 Ag3 -8.03(14) . 1_655
I3 Ag6 I7 Ag5 -120.40(11) 1_655 .
I6 Ag6 I7 Ag5 4.67(17) . .
Ag2 Ag6 I7 Ag5 169.29(13) 1_655 .
Ag3 Ag6 I7 Ag5 76.15(18) 1_655 .
I4 Ag6 I7 Ag5 119.85(9) 1_655 .
I3 Ag6 I7 Ag1 -19.92(10) 1_655 .
I6 Ag6 I7 Ag1 105.15(13) . .
Ag2 Ag6 I7 Ag1 -90.23(16) 1_655 .
Ag3 Ag6 I7 Ag1 176.63(18) 1_655 .
I4 Ag6 I7 Ag1 -139.67(11) 1_655 .
I3 Ag6 I7 Ag4 -102.22(12) 1_655 .
I6 Ag6 I7 Ag4 22.85(10) . .
Ag2 Ag6 I7 Ag4 -172.53(19) 1_655 .
Ag3 Ag6 I7 Ag4 94.34(17) 1_655 .
I4 Ag6 I7 Ag4 138.03(11) 1_655 .
I8 Ag5 I7 Ag6 -119.27(10) . .
I5 Ag5 I7 Ag6 5.02(14) . .
I4 Ag5 I7 Ag6 124.86(10) . .
I8 Ag5 I7 Ag1 166.33(7) . .
I5 Ag5 I7 Ag1 -69.37(11) . .
I4 Ag5 I7 Ag1 50.46(9) . .
I8 Ag5 I7 Ag4 -137.89(9) . .
I5 Ag5 I7 Ag4 -13.60(8) . .
I4 Ag5 I7 Ag4 106.24(8) . .
I2 Ag1 I7 Ag6 160.70(12) . .
I3 Ag1 I7 Ag6 18.77(10) 1_655 .
I1 Ag1 I7 Ag6 -89.77(10) . .
I2 Ag1 I7 Ag5 -82.83(11) . .
I3 Ag1 I7 Ag5 135.24(9) 1_655 .
I1 Ag1 I7 Ag5 26.70(10) . .
I2 Ag1 I7 Ag4 -131.75(10) . .
I3 Ag1 I7 Ag4 86.32(9) 1_655 .
I1 Ag1 I7 Ag4 -22.21(7) . .
I6 Ag4 I7 Ag6 -22.01(10) . .
I1 Ag4 I7 Ag6 95.80(11) . .
I5 Ag4 I7 Ag6 -149.71(12) . .
I6 Ag4 I7 Ag5 140.24(11) . .
I1 Ag4 I7 Ag5 -101.96(8) . .
I5 Ag4 I7 Ag5 12.53(8) . .
I6 Ag4 I7 Ag1 -93.77(10) . .
I1 Ag4 I7 Ag1 24.04(8) . .
I5 Ag4 I7 Ag1 138.53(10) . .
I5 Ag5 I8 Ag5 -173(51) . 3_667
I4 Ag5 I8 Ag5 60(51) . 3_667
I7 Ag5 I8 Ag5 -43(51) . 3_667
O4 Mn1 N1 C1 158.8(15) . .
O3 Mn1 N1 C1 164(5) . .
O1 Mn1 N1 C1 -105.7(15) . .
O2 Mn1 N1 C1 65.6(15) . .
N2 Mn1 N1 C1 -20.4(15) 4_575 .
O4 Mn1 N1 C5 -22.5(17) . .
O3 Mn1 N1 C5 -17(6) . .
O1 Mn1 N1 C5 72.9(17) . .
O2 Mn1 N1 C5 -115.7(17) . .
N2 Mn1 N1 C5 158.3(16) 4_575 .
C5 N1 C1 C2 -1(3) . .
Mn1 N1 C1 C2 177.6(15) . .
N1 C1 C2 C3 -8(3) . .
C1 C2 C3 C4 9(3) . .
C1 C2 C3 C8 -177.7(17) . .
C2 C3 C4 C5 -2(3) . .
C8 C3 C4 C5 -175.4(19) . .
C3 C4 C5 N1 -8(3) . .
C1 N1 C5 C4 9(3) . .
Mn1 N1 C5 C4 -169.8(17) . .
C10 N2 C6 C7 -2(3) . .
Mn1 N2 C6 C7 -176.5(13) 4_676 .
N2 C6 C7 C8 2(3) . .
C6 C7 C8 C9 -2(2) . .
C6 C7 C8 C3 178.1(15) . .
C2 C3 C8 C9 152(2) . .
C4 C3 C8 C9 -34(3) . .
C2 C3 C8 C7 -28(2) . .
C4 C3 C8 C7 145.2(17) . .
C7 C8 C9 C10 3(3) . .
C3 C8 C9 C10 -176.9(17) . .
C6 N2 C10 C9 3(3) . .
Mn1 N2 C10 C9 177.2(14) 4_676 .
C8 C9 C10 N2 -4(3) . .
O4 Mn1 O1 S1 34.3(13) . .
O3 Mn1 O1 S1 123.9(13) . .
O2 Mn1 O1 S1 -156(3) . .
N1 Mn1 O1 S1 -51.0(13) . .
N2 Mn1 O1 S1 -145.8(13) 4_575 .
O4 Mn1 O2 S2 -84.6(16) . .
O3 Mn1 O2 S2 -173.9(15) . .
O1 Mn1 O2 S2 106(4) . .
N1 Mn1 O2 S2 1.0(16) . .
N2 Mn1 O2 S2 95.5(15) 4_575 .
O4 Mn1 O3 S3B -16.6(16) . .
O1 Mn1 O3 S3B -111.9(16) . .
O2 Mn1 O3 S3B 76.9(16) . .
N1 Mn1 O3 S3B -22(6) . .
N2 Mn1 O3 S3B 162.6(16) 4_575 .
O4 Mn1 O3 S3A -99.0(12) . .
O1 Mn1 O3 S3A 165.8(11) . .
O2 Mn1 O3 S3A -5.4(11) . .
N1 Mn1 O3 S3A -104(5) . .
N2 Mn1 O3 S3A 80.2(11) 4_575 .
O3 Mn1 O4 S4A 9.5(19) . .
O1 Mn1 O4 S4A 101.0(19) . .
O2 Mn1 O4 S4A -77.3(19) . .
N1 Mn1 O4 S4A -171.0(19) . .
N2 Mn1 O4 S4A -68(40) 4_575 .
O3 Mn1 O4 S4B -63.0(17) . .
O1 Mn1 O4 S4B 28.5(17) . .
O2 Mn1 O4 S4B -149.9(17) . .
N1 Mn1 O4 S4B 116.5(17) . .
N2 Mn1 O4 S4B -141(38) 4_575 .
Mn1 O1 S1 C12 121.7(18) . .
Mn1 O1 S1 C11 -132.8(17) . .
Mn1 O2 S2 C13 129.8(18) . .
Mn1 O2 S2 C14 -127.9(16) . .
S3B O3 S3A C16 -51.3(11) . .
Mn1 O3 S3A C16 78.0(13) . .
S3B O3 S3A C15 50.5(10) . .
Mn1 O3 S3A C15 179.7(11) . .
S3A O3 S3B C15 -54.0(11) . .
Mn1 O3 S3B C15 -168.8(12) . .
S3A O3 S3B C16 51.0(10) . .
Mn1 O3 S3B C16 -63.8(19) . .
S4B O4 S4A C17 50.1(15) . .
Mn1 O4 S4A C17 -67(2) . .
S4B O4 S4A C18 -64.7(12) . .
Mn1 O4 S4A C18 178.0(18) . .
S4A O4 S4B C17 -48.2(16) . .
Mn1 O4 S4B C17 75(2) . .
S4A O4 S4B C18 61.3(12) . .
Mn1 O4 S4B C18 -175.9(16) . .
O3 S3B C15 S3A 51.1(11) . .
C16 S3B C15 S3A -60.4(10) . .
O3 S3A C15 S3B -48.2(10) . .
C16 S3A C15 S3B 61.0(10) . .
O3 S3A C16 S3B 47.6(9) . .
C15 S3A C16 S3B -58.9(9) . .
O3 S3B C16 S3A -49.4(10) . .
C15 S3B C16 S3A 62.1(11) . .
O4 S4A C17 S4B -49.4(14) . .
C18 S4A C17 S4B 69.7(11) . .
O4 S4B C17 S4A 46.2(14) . .
C18 S4B C17 S4A -67.2(11) . .
O4 S4A C18 S4B 62.4(11) . .
C17 S4A C18 S4B -68.4(13) . .
O4 S4B C18 S4A -58.5(10) . .
C17 S4B C18 S4A 67.9(12) . .
