#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/21/4502189.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_4502189
loop_
_publ_author_name
'Li, Hao-Hong'
'Chen, Zhi-Rong'
'Sun, Ling-Guo'
'Lian, Zhao-Xun'
'Chen, Xiao-Bo'
'Li, Jun-Bo'
'Li, Jun-Qian'
_publ_section_title
;
 Two Iodoargentate Hybrid Coordination Polymers Induced by
 Transition-Metal Complexes: Structures and Properties
;
_journal_issue                   3
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1068
_journal_paper_doi               10.1021/cg900476m
_journal_volume                  10
_journal_year                    2010
_chemical_formula_moiety         '2(Ag5 I6), C18 H24 N2 Ni O4, 2(C3 H7 N O)'
_chemical_formula_sum            'C24 H38 Ag10 I12 N4 Ni O6'
_chemical_formula_weight         3138.77
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 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                 100.02(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.9480(16)
_cell_length_b                   19.681(4)
_cell_length_c                   20.365(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     3137.0(11)
_computing_cell_refinement       'TEXRAY software'
_computing_data_collection
'TEXRAY software (Molecular Structure Corporation, 1999)'
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1999)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)')'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean None
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Weissenberg IP'
_diffrn_measurement_method       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotor target'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_sigmaI/netI    0.0282
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23180
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        'not measured'
_diffrn_standards_interval_count 'not measured'
_diffrn_standards_interval_time  'not measured'
_diffrn_standards_number         None
_exptl_absorpt_coefficient_mu    9.277
_exptl_absorpt_correction_T_max  0.156
_exptl_absorpt_correction_T_min  0.042
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'TEXRAY software (Molecular Structure Corporation, 1999)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    3.323
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.902
_refine_diff_density_min         -1.605
_refine_diff_density_rms         0.251
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.152
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     251
_refine_ls_number_reflns         7349
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.152
_refine_ls_R_factor_all          0.0810
_refine_ls_R_factor_gt           0.0743
_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)+(0.0670P)²+76.7455P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1929
_refine_ls_wR_factor_ref         0.1972
_reflns_number_gt                6596
_reflns_number_total             7349
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg900476m_si_001.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

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.

'_exptl_absorpt_correction_type' value 'Multi-Scan'
changed to 'multi-scan' 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 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3137.1(11)
_cod_original_sg_symbol_Hall     -P2yb
_cod_original_sg_symbol_H-M      P21/m
_cod_database_code               4502189
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
I3 I 0.10069(14) 0.7500 0.22191(6) 0.0386(3) Uani 1 2 d S
I5 I 0.59910(15) 0.7500 0.22324(6) 0.0416(3) Uani 1 2 d S
I2 I 0.49276(12) 0.62908(5) 0.38728(5) 0.0507(2) Uani 1 1 d .
I8 I 0.32273(18) 0.7500 0.02575(7) 0.0522(3) Uani 1 2 d S
I1 I 0.01621(18) 0.7500 0.42578(7) 0.0589(4) Uani 1 2 d S
I4 I 0.38662(14) 0.54649(6) 0.16344(6) 0.0599(3) Uani 1 1 d .
I6 I 0.94018(14) 0.55713(6) 0.28326(7) 0.0623(3) Uani 1 1 d .
I7 I 0.84616(15) 0.62876(7) 0.06070(7) 0.0686(3) Uani 1 1 d .
Ag1 Ag 0.2987(3) 0.7500 0.35649(10) 0.0644(5) Uani 1 2 d S
Ag3 Ag 0.79087(19) 0.67015(9) 0.33464(8) 0.0743(4) Uani 1 1 d .
Ag2 Ag 0.25746(19) 0.61702(8) 0.26485(7) 0.0677(4) Uani 1 1 d .
Ag6 Ag 0.6775(3) 0.7500 0.08531(12) 0.0756(6) Uani 1 2 d S
Ag4 Ag 0.1930(2) 0.66196(9) 0.11403(8) 0.0753(4) Uani 1 1 d .
Ag5 Ag 0.7048(2) 0.61501(10) 0.17735(9) 0.0824(5) Uani 1 1 d .
Ni1 Ni 0.2509(4) 0.7500 0.75354(13) 0.0480(6) Uani 1 2 d S
O3 O -0.003(2) 0.7500 0.7108(9) 0.068(5) Uani 1 2 d S
O1 O 0.207(2) 0.6722(7) 0.8175(7) 0.079(4) Uani 1 1 d .
O2 O 0.538(6) 0.7500 0.8060(12) 0.171(16) Uani 1 2 d S
O4 O 0.788(3) 0.6404(10) 0.6925(9) 0.106(6) Uani 1 1 d .
N1 N 0.3003(18) 0.6826(7) 0.6803(6) 0.055(3) Uani 1 1 d .
N2 N 0.808(2) 0.5884(10) 0.5941(9) 0.081(5) Uani 1 1 d .
C1 C 0.3347(18) 0.7132(8) 0.6252(7) 0.047(3) Uani 1 1 d .
C2 C 0.372(2) 0.6741(9) 0.5727(8) 0.061(4) Uani 1 1 d .
H2 H 0.4036 0.6952 0.5359 0.074 Uiso 1 1 calc R
C3 C 0.362(3) 0.6052(10) 0.5752(9) 0.071(5) Uani 1 1 d .
H3 H 0.3810 0.5800 0.5386 0.085 Uiso 1 1 calc R
C4 C 0.326(3) 0.5726(11) 0.6291(11) 0.081(6) Uani 1 1 d .
H4 H 0.3186 0.5255 0.6309 0.097 Uiso 1 1 calc R
C5 C 0.299(3) 0.6158(8) 0.6845(9) 0.063(4) Uani 1 1 d .
H5 H 0.2813 0.5956 0.7240 0.075 Uiso 1 1 calc R
C6 C 0.081(6) 0.631(3) 0.824(2) 0.190(18) Uiso 1 1 d .
H6A H 0.0552 0.6069 0.7819 0.228 Uiso 1 1 calc R
H6B H -0.0160 0.6604 0.8257 0.228 Uiso 1 1 calc R
C7 C 0.077(3) 0.5746(15) 0.8810(14) 0.105(8) Uiso 1 1 d .
H7A H 0.0014 0.5854 0.9119 0.126 Uiso 1 1 calc R
H7B H 0.0590 0.5286 0.8640 0.126 Uiso 1 1 calc R
C8 C 0.258(3) 0.5913(14) 0.9058(14) 0.108(8) Uiso 1 1 d D
H8A H 0.3250 0.5503 0.9041 0.129 Uiso 1 1 calc R
H8B H 0.2690 0.6041 0.9524 0.129 Uiso 1 1 calc R
C9 C 0.345(4) 0.6510(14) 0.8677(14) 0.106(8) Uiso 1 1 d D
H9A H 0.3849 0.6880 0.8978 0.127 Uiso 1 1 calc R
H9B H 0.4391 0.6336 0.8483 0.127 Uiso 1 1 calc R
C10 C 0.776(3) 0.5902(14) 0.6572(14) 0.090(7) Uani 1 1 d .
H10 H 0.7431 0.5498 0.6750 0.108 Uiso 1 1 calc R
C11 C 0.857(4) 0.6499(13) 0.5645(12) 0.103(8) Uani 1 1 d .
H11A H 0.8752 0.6407 0.5200 0.154 Uiso 1 1 calc R
H11B H 0.9613 0.6668 0.5906 0.154 Uiso 1 1 calc R
H11C H 0.7689 0.6833 0.5633 0.154 Uiso 1 1 calc R
C12 C 0.804(4) 0.5272(11) 0.5555(13) 0.109(9) Uani 1 1 d .
H12A H 0.8310 0.5377 0.5124 0.163 Uiso 1 1 calc R
H12B H 0.6927 0.5072 0.5503 0.163 Uiso 1 1 calc R
H12C H 0.8873 0.4958 0.5780 0.163 Uiso 1 1 calc 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'
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'
Ni Ni 0.3393 1.1124 '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'
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
Ag1 I3 Ag2 65.92(4) . 4_575
Ag1 I3 Ag2 65.92(4) . .
Ag2 I3 Ag2 123.98(7) 4_575 .
Ag1 I3 Ag4 122.02(5) . .
Ag2 I3 Ag4 125.77(6) 4_575 .
Ag2 I3 Ag4 63.93(5) . .
Ag1 I3 Ag4 122.02(6) . 4_575
Ag2 I3 Ag4 63.93(5) 4_575 4_575
Ag2 I3 Ag4 125.77(6) . 4_575
Ag4 I3 Ag4 70.89(7) . 4_575
Ag3 I5 Ag3 64.24(7) 4_575 .
Ag3 I5 Ag6 123.97(6) 4_575 .
Ag3 I5 Ag6 123.97(6) . .
Ag3 I5 Ag5 125.31(6) 4_575 .
Ag3 I5 Ag5 68.38(5) . .
Ag6 I5 Ag5 65.71(4) . .
Ag3 I5 Ag5 68.38(5) 4_575 4_575
Ag3 I5 Ag5 125.31(6) . 4_575
Ag6 I5 Ag5 65.71(4) . 4_575
Ag5 I5 Ag5 125.76(8) . 4_575
Ag1 I2 Ag2 68.25(5) . .
Ag1 I2 Ag3 97.63(6) . .
Ag2 I2 Ag3 98.89(6) . .
Ag4 I8 Ag4 75.89(8) 4_575 .
Ag4 I8 Ag6 99.90(6) 4_575 .
Ag4 I8 Ag6 99.90(6) . .
Ag3 I1 Ag3 67.67(8) 1_455 4_475
Ag3 I1 Ag1 97.97(6) 1_455 .
Ag3 I1 Ag1 97.97(6) 4_475 .
Ag2 I4 Ag4 67.74(5) . .
Ag2 I4 Ag5 97.15(6) . .
Ag4 I4 Ag5 94.24(6) . .
Ag3 I6 Ag5 72.52(6) . .
Ag3 I6 Ag2 99.29(6) . 1_655
Ag5 I6 Ag2 102.38(6) . 1_655
Ag5 I7 Ag6 70.10(6) . .
Ag5 I7 Ag4 101.64(7) . 1_655
Ag6 I7 Ag4 101.28(7) . 1_655
I2 Ag1 I2 113.48(8) 4_575 .
I2 Ag1 I1 109.52(5) 4_575 .
I2 Ag1 I1 109.52(5) . .
I2 Ag1 I3 112.99(5) 4_575 .
I2 Ag1 I3 112.99(5) . .
I1 Ag1 I3 97.04(7) . .
I2 Ag1 Ag2 144.04(8) 4_575 .
I2 Ag1 Ag2 56.00(4) . .
I1 Ag1 Ag2 106.21(5) . .
I3 Ag1 Ag2 57.81(4) . .
I2 Ag1 Ag2 56.00(4) 4_575 4_575
I2 Ag1 Ag2 144.04(8) . 4_575
I1 Ag1 Ag2 106.21(5) . 4_575
I3 Ag1 Ag2 57.81(4) . 4_575
Ag2 Ag1 Ag2 109.84(8) . 4_575
I6 Ag3 I1 115.16(6) . 1_655
I6 Ag3 I2 110.16(7) . .
I1 Ag3 I2 112.36(7) 1_655 .
I6 Ag3 I5 109.27(6) . .
I1 Ag3 I5 113.09(6) 1_655 .
I2 Ag3 I5 95.00(5) . .
I6 Ag3 Ag3 142.39(4) . 4_575
I1 Ag3 Ag3 56.16(4) 1_655 4_575
I2 Ag3 Ag3 106.29(4) . 4_575
I5 Ag3 Ag3 57.88(4) . 4_575
I6 Ag3 Ag5 54.14(5) . .
I1 Ag3 Ag5 144.36(7) 1_655 .
I2 Ag3 Ag5 102.78(6) . .
I5 Ag3 Ag5 56.22(5) . .
Ag3 Ag3 Ag5 108.97(4) 4_575 .
I4 Ag2 I2 114.41(6) . .
I4 Ag2 I6 109.47(6) . 1_455
I2 Ag2 I6 112.18(6) . 1_455
I4 Ag2 I3 113.93(6) . .
I2 Ag2 I3 111.23(6) . .
I6 Ag2 I3 93.87(5) 1_455 .
I4 Ag2 Ag4 56.19(5) . .
I2 Ag2 Ag4 143.01(7) . .
I6 Ag2 Ag4 104.20(6) 1_455 .
I3 Ag2 Ag4 58.40(5) . .
I4 Ag2 Ag1 144.61(7) . .
I2 Ag2 Ag1 55.75(5) . .
I6 Ag2 Ag1 105.27(6) 1_455 .
I3 Ag2 Ag1 56.27(5) . .
Ag4 Ag2 Ag1 108.78(7) . .
I7 Ag6 I7 115.34(9) 4_575 .
I7 Ag6 I8 112.76(6) 4_575 .
I7 Ag6 I8 112.76(6) . .
I7 Ag6 I5 110.53(6) 4_575 .
I7 Ag6 I5 110.53(6) . .
I8 Ag6 I5 92.70(7) . .
I7 Ag6 Ag5 54.78(5) 4_575 4_575
I7 Ag6 Ag5 144.13(10) . 4_575
I8 Ag6 Ag5 101.92(6) . 4_575
I5 Ag6 Ag5 57.20(5) . 4_575
I7 Ag6 Ag5 144.13(10) 4_575 .
I7 Ag6 Ag5 54.78(5) . .
I8 Ag6 Ag5 101.92(6) . .
I5 Ag6 Ag5 57.20(5) . .
Ag5 Ag6 Ag5 110.33(10) 4_575 .
I8 Ag4 I4 118.95(6) . .
I8 Ag4 I7 109.51(7) . 1_455
I4 Ag4 I7 112.37(7) . 1_455
I8 Ag4 I3 106.04(6) . .
I4 Ag4 I3 113.09(6) . .
I7 Ag4 I3 93.90(6) 1_455 .
I8 Ag4 Ag2 141.15(8) . .
I4 Ag4 Ag2 56.07(5) . .
I7 Ag4 Ag2 106.78(7) 1_455 .
I3 Ag4 Ag2 57.67(4) . .
I7 Ag5 I4 116.22(8) . .
I7 Ag5 I6 111.92(7) . .
I4 Ag5 I6 110.10(7) . .
I7 Ag5 I5 110.75(7) . .
I4 Ag5 I5 99.20(6) . .
I6 Ag5 I5 107.68(7) . .
I7 Ag5 Ag6 55.12(6) . .
I4 Ag5 Ag6 111.33(8) . .
I6 Ag5 Ag6 137.62(8) . .
I5 Ag5 Ag6 57.09(5) . .
I7 Ag5 Ag3 137.22(7) . .
I4 Ag5 Ag3 106.31(7) . .
I6 Ag5 Ag3 53.34(5) . .
I5 Ag5 Ag3 55.40(5) . .
Ag6 Ag5 Ag3 105.71(7) . .
O3 Ni1 O1 90.4(6) . 4_575
O3 Ni1 O1 90.4(6) . .
O1 Ni1 O1 94.9(7) 4_575 .
O3 Ni1 N1 89.4(6) . .
O1 Ni1 N1 172.1(5) 4_575 .
O1 Ni1 N1 93.0(5) . .
O3 Ni1 N1 89.4(6) . 4_575
O1 Ni1 N1 93.0(5) 4_575 4_575
O1 Ni1 N1 172.1(5) . 4_575
N1 Ni1 N1 79.1(8) . 4_575
O3 Ni1 O2 178.0(9) . .
O1 Ni1 O2 88.3(7) 4_575 .
O1 Ni1 O2 88.3(7) . .
N1 Ni1 O2 92.1(7) . .
N1 Ni1 O2 92.1(7) 4_575 .
C6 O1 C9 105(3) . .
C6 O1 Ni1 137(2) . .
C9 O1 Ni1 118.5(12) . .
C5 N1 C1 120.4(14) . .
C5 N1 Ni1 125.8(11) . .
C1 N1 Ni1 113.8(10) . .
C10 N2 C12 124(2) . .
C10 N2 C11 119(2) . .
C12 N2 C11 117(2) . .
N1 C1 C2 119.8(15) . .
N1 C1 C1 116.6(9) . 4_575
C2 C1 C1 123.6(10) . 4_575
C3 C2 C1 120.1(17) . .
C3 C2 H2 119.9 . .
C1 C2 H2 119.9 . .
C4 C3 C2 121.9(16) . .
C4 C3 H3 119.1 . .
C2 C3 H3 119.1 . .
C3 C4 C5 115.7(18) . .
C3 C4 H4 122.1 . .
C5 C4 H4 122.1 . .
N1 C5 C4 121.8(17) . .
N1 C5 H5 119.1 . .
C4 C5 H5 119.1 . .
O1 C6 C7 127(4) . .
O1 C6 H6A 105.5 . .
C7 C6 H6A 105.5 . .
O1 C6 H6B 105.5 . .
C7 C6 H6B 105.5 . .
H6A C6 H6B 106.0 . .
C8 C7 C6 87(3) . .
C8 C7 H7A 114.1 . .
C6 C7 H7A 114.1 . .
C8 C7 H7B 114.1 . .
C6 C7 H7B 114.1 . .
H7A C7 H7B 111.3 . .
C7 C8 C9 118(2) . .
C7 C8 H8A 107.9 . .
C9 C8 H8A 107.9 . .
C7 C8 H8B 107.9 . .
C9 C8 H8B 107.9 . .
H8A C8 H8B 107.2 . .
O1 C9 C8 103(2) . .
O1 C9 H9A 111.2 . .
C8 C9 H9A 111.2 . .
O1 C9 H9B 111.2 . .
C8 C9 H9B 111.2 . .
H9A C9 H9B 109.1 . .
O4 C10 N2 125(2) . .
O4 C10 H10 117.4 . .
N2 C10 H10 117.4 . .
N2 C11 H11A 109.5 . .
N2 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
N2 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N2 C12 H12A 109.5 . .
N2 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
N2 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I3 Ag1 2.913(2) .
I3 Ag2 2.9645(17) 4_575
I3 Ag2 2.9645(17) .
I3 Ag4 2.9882(19) .
I3 Ag4 2.9882(19) 4_575
I5 Ag3 2.956(2) 4_575
I5 Ag3 2.956(2) .
I5 Ag6 2.981(3) .
I5 Ag5 2.985(2) .
I5 Ag5 2.985(2) 4_575
I2 Ag1 2.8460(15) .
I2 Ag2 2.855(2) .
I2 Ag3 2.881(2) .
I8 Ag4 2.8182(19) 4_575
I8 Ag4 2.8182(19) .
I8 Ag6 2.869(3) .
I1 Ag3 2.822(2) 1_455
I1 Ag3 2.822(2) 4_475
I1 Ag1 2.852(3) .
I4 Ag2 2.8254(19) .
I4 Ag4 2.829(2) .
I4 Ag5 2.836(2) .
I6 Ag3 2.808(2) .
I6 Ag5 2.837(2) .
I6 Ag2 2.8667(19) 1_655
I7 Ag5 2.812(2) .
I7 Ag6 2.8240(18) .
I7 Ag4 2.858(2) 1_655
Ag1 I2 2.8460(15) 4_575
Ag1 Ag2 3.198(2) .
Ag1 Ag2 3.198(2) 4_575
Ag3 I1 2.822(2) 1_655
Ag3 Ag3 3.143(3) 4_575
Ag3 Ag5 3.338(3) .
Ag2 I6 2.8667(19) 1_455
Ag2 Ag4 3.151(2) .
Ag6 I7 2.8240(18) 4_575
Ag6 Ag5 3.237(2) 4_575
Ag6 Ag5 3.237(2) .
Ag4 I7 2.858(2) 1_455
Ni1 O3 2.054(17) .
Ni1 O1 2.077(14) 4_575
Ni1 O1 2.077(14) .
Ni1 N1 2.084(13) .
Ni1 N1 2.084(13) 4_575
Ni1 O2 2.34(4) .
O1 C6 1.31(5) .
O1 C9 1.42(3) .
O4 C10 1.22(3) .
N1 C5 1.32(2) .
N1 C1 1.343(19) .
N2 C10 1.35(3) .
N2 C12 1.44(3) .
N2 C11 1.44(3) .
C1 C2 1.39(2) .
C1 C1 1.45(3) 4_575
C2 C3 1.36(3) .
C2 H2 0.9300 .
C3 C4 1.35(3) .
C3 H3 0.9300 .
C4 C5 1.46(2) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C7 1.62(5) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.48(3) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.623(18) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10 0.9300 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
