#------------------------------------------------------------------------------
#$Date: 2016-01-09 12:32:52 +0200 (Sat, 09 Jan 2016) $
#$Revision: 173758 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/29/7222998.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_7222998
loop_
_publ_author_name
'Yu, Tanlai'
'Fu, Yangbo'
'Wang, Yilin'
'Hao, Pengfei'
'Shen, Junju'
'Fu, Yunlong'
_publ_section_title
;
 Hierarchical symmetry transfer and flexible charge matching in five
 [M(phen)3]2+directed iodoargentates with 1 to 3D frameworks
;
_journal_issue                   45
_journal_name_full               CrystEngComm
_journal_page_first              8752
_journal_paper_doi               10.1039/C5CE01692D
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C36 H24 Co N6, Ag3 I5, 2(C2 H3 N)'
_chemical_formula_sum            'C40 H30 Ag3 Co I5 N8'
_chemical_formula_weight         1639.76
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_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-2014/7
_audit_update_record
;
2015-10-04 deposited with the CCDC.
2015-10-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.858(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.3138(7)
_cell_length_b                   23.0323(6)
_cell_length_c                   14.3495(6)
_cell_measurement_temperature    293(2)
_cell_volume                     4554.5(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_unetI/netI     0.0479
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            18473
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.737
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.057
_exptl_absorpt_correction_T_max  0.6878
_exptl_absorpt_correction_T_min  0.3646
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.391
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3036
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.937
_refine_diff_density_min         -1.860
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     516
_refine_ls_number_reflns         8945
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0779
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0423P)²+15.0284P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1041
_refine_ls_wR_factor_ref         0.1180
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6389
_reflns_number_total             8945
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ce01692d2.cif
_cod_data_source_block           compound1
_cod_depositor_comments
'Adding full bibliography for 7222998--7223004.cif.'
_cod_database_code               7222998
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.365
_shelx_estimated_absorpt_t_max   0.688
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Ag1 Ag 0.18215(7) 0.73674(5) 0.60887(8) 0.1029(3) Uani 1 1 d . .
Ag2 Ag 0.37287(7) 0.73240(5) 0.77792(8) 0.1038(4) Uani 1 1 d . .
Ag3 Ag 0.35642(7) 0.74153(4) 1.00576(7) 0.0736(2) Uani 1 1 d . .
I1 I -0.01035(5) 0.74669(3) 0.48841(5) 0.05662(17) Uani 1 1 d . .
I2 I 0.20714(4) 0.69443(2) 0.81735(4) 0.04849(15) Uani 1 1 d . .
I3 I 0.52593(4) 0.73834(3) 0.97050(5) 0.06249(19) Uani 1 1 d . .
I5 I 0.32631(5) 0.84687(3) 1.09223(5) 0.06593(19) Uani 1 1 d . .
I4 I 0.32997(5) 0.66494(2) 1.15491(4) 0.05470(17) Uani 1 1 d . .
Co1 Co 0.81360(7) 0.95222(4) 0.66154(7) 0.0344(2) Uani 1 1 d . .
N1 N 0.7436(5) 0.9084(3) 0.5165(5) 0.0411(15) Uani 1 1 d . .
N2 N 0.6866(4) 1.0027(3) 0.5853(5) 0.0403(15) Uani 1 1 d . .
N3 N 0.8932(4) 1.0102(2) 0.6094(4) 0.0346(14) Uani 1 1 d . .
N4 N 0.9488(4) 0.9089(2) 0.7119(4) 0.0364(14) Uani 1 1 d . .
N5 N 0.7567(4) 0.8988(3) 0.7424(5) 0.0404(15) Uani 1 1 d . .
N6 N 0.8595(5) 0.9979(3) 0.8056(5) 0.0402(15) Uani 1 1 d . .
C1 C 0.7712(7) 0.8607(4) 0.4843(7) 0.053(2) Uani 1 1 d . .
H1 H 0.8251 0.8405 0.5310 0.064 Uiso 1 1 calc R U
C2 C 0.7222(8) 0.8398(4) 0.3826(8) 0.068(3) Uani 1 1 d . .
H2 H 0.7424 0.8059 0.3625 0.081 Uiso 1 1 calc R U
C3 C 0.6440(8) 0.8704(5) 0.3135(7) 0.071(3) Uani 1 1 d . .
H3 H 0.6107 0.8572 0.2458 0.085 Uiso 1 1 calc R U
C4 C 0.6140(7) 0.9209(4) 0.3438(7) 0.056(2) Uani 1 1 d . .
C5 C 0.5334(7) 0.9572(6) 0.2761(7) 0.070(3) Uani 1 1 d . .
H5 H 0.4982 0.9462 0.2073 0.084 Uiso 1 1 calc R U
C6 C 0.5088(7) 1.0045(5) 0.3086(8) 0.068(3) Uani 1 1 d . .
H6 H 0.4579 1.0268 0.2619 0.081 Uiso 1 1 calc R U
C7 C 0.5583(6) 1.0231(4) 0.4145(7) 0.056(2) Uani 1 1 d . .
C8 C 0.5339(6) 1.0723(4) 0.4570(9) 0.062(3) Uani 1 1 d . .
H8 H 0.4838 1.0965 0.4142 0.075 Uiso 1 1 calc R U
C9 C 0.5819(6) 1.0848(4) 0.5583(9) 0.059(3) Uani 1 1 d . .
H9 H 0.5644 1.1165 0.5866 0.071 Uiso 1 1 calc R U
C10 C 0.6586(6) 1.0488(3) 0.6196(7) 0.049(2) Uani 1 1 d . .
H10 H 0.6923 1.0580 0.6895 0.059 Uiso 1 1 calc R U
C11 C 0.6363(5) 0.9892(3) 0.4828(6) 0.0412(19) Uani 1 1 d . .
C12 C 0.6658(6) 0.9380(4) 0.4470(6) 0.0434(19) Uani 1 1 d . .
C13 C 0.8661(6) 1.0603(3) 0.5602(6) 0.0442(19) Uani 1 1 d . .
H13 H 0.8018 1.0718 0.5377 0.053 Uiso 1 1 calc R U
C14 C 0.9284(7) 1.0968(3) 0.5401(7) 0.053(2) Uani 1 1 d . .
H14 H 0.9053 1.1310 0.5028 0.063 Uiso 1 1 calc R U
C15 C 1.0228(7) 1.0821(3) 0.5756(7) 0.051(2) Uani 1 1 d . .
H15 H 1.0657 1.1069 0.5653 0.061 Uiso 1 1 calc R U
C16 C 1.0559(6) 1.0293(3) 0.6280(6) 0.0445(19) Uani 1 1 d . .
C17 C 1.1545(6) 1.0093(4) 0.6670(7) 0.054(2) Uani 1 1 d . .
H17 H 1.2006 1.0324 0.6588 0.064 Uiso 1 1 calc R U
C18 C 1.1808(6) 0.9580(4) 0.7147(7) 0.056(2) Uani 1 1 d . .
H18 H 1.2448 0.9458 0.7373 0.067 Uiso 1 1 calc R U
C19 C 1.1138(6) 0.9211(4) 0.7322(6) 0.0440(19) Uani 1 1 d . .
C20 C 1.1373(7) 0.8664(4) 0.7814(6) 0.053(2) Uani 1 1 d . .
H20 H 1.1994 0.8513 0.8032 0.063 Uiso 1 1 calc R U
C21 C 1.0681(7) 0.8360(4) 0.7967(6) 0.052(2) Uani 1 1 d . .
H21 H 1.0830 0.8003 0.8304 0.062 Uiso 1 1 calc R U
C22 C 0.9768(6) 0.8584(3) 0.7620(6) 0.0437(19) Uani 1 1 d . .
H22 H 0.9311 0.8371 0.7741 0.052 Uiso 1 1 calc R U
C23 C 1.0176(6) 0.9397(3) 0.6967(5) 0.0360(17) Uani 1 1 d . .
C24 C 0.9877(5) 0.9947(3) 0.6433(5) 0.0328(16) Uani 1 1 d . .
C25 C 0.7052(6) 0.8502(3) 0.7108(7) 0.052(2) Uani 1 1 d . .
H25 H 0.6935 0.8353 0.6462 0.063 Uiso 1 1 calc R U
C26 C 0.6682(7) 0.8208(4) 0.7699(9) 0.071(3) Uani 1 1 d . .
H26 H 0.6328 0.7869 0.7446 0.086 Uiso 1 1 calc R U
C27 C 0.6833(8) 0.8410(5) 0.8638(10) 0.078(3) Uani 1 1 d . .
H27 H 0.6579 0.8213 0.9030 0.093 Uiso 1 1 calc R U
C28 C 0.7376(7) 0.8920(5) 0.9022(8) 0.065(3) Uani 1 1 d . .
C29 C 0.7571(9) 0.9177(6) 0.9997(8) 0.086(4) Uani 1 1 d . .
H29 H 0.7344 0.8998 1.0429 0.103 Uiso 1 1 calc R U
C30 C 0.8076(9) 0.9673(6) 1.0300(8) 0.083(3) Uani 1 1 d . .
H30 H 0.8189 0.9826 1.0942 0.100 Uiso 1 1 calc R U
C31 C 0.8448(7) 0.9975(4) 0.9685(7) 0.060(2) Uani 1 1 d . .
C32 C 0.8957(8) 1.0498(4) 0.9942(7) 0.068(3) Uani 1 1 d . .
H32 H 0.9077 1.0678 1.0566 0.081 Uiso 1 1 calc R U
C33 C 0.9277(7) 1.0745(4) 0.9295(7) 0.059(2) Uani 1 1 d . .
H33 H 0.9628 1.1090 0.9473 0.071 Uiso 1 1 calc R U
C34 C 0.9071(6) 1.0472(3) 0.8351(7) 0.053(2) Uani 1 1 d . .
H34 H 0.9284 1.0650 0.7905 0.064 Uiso 1 1 calc R U
C35 C 0.8276(6) 0.9728(3) 0.8712(6) 0.0412(18) Uani 1 1 d . .
C36 C 0.7730(6) 0.9199(4) 0.8382(6) 0.046(2) Uani 1 1 d . .
C38 C 0.8455(11) 0.7970(7) 0.1850(11) 0.127(6) Uani 1 1 d . .
C39 C 0.5363(11) 0.0882(6) 0.0703(11) 0.124(5) Uani 1 1 d D U
H39A H 0.5824 0.0570 0.0918 0.186 Uiso 1 1 calc R U
H39B H 0.5162 0.0962 0.1237 0.186 Uiso 1 1 calc R U
H39C H 0.5656 0.1223 0.0576 0.186 Uiso 1 1 calc R U
C40 C 0.4511(15) 0.0716(10) -0.0255(16) 0.188(8) Uani 1 1 d D U
C37 C 0.9324(9) 0.8213(7) 0.2085(10) 0.109(5) Uani 1 1 d . .
H37A H 0.9239 0.8617 0.1898 0.164 Uiso 1 1 calc R U
H37B H 0.9627 0.8020 0.1710 0.164 Uiso 1 1 calc R U
H37C H 0.9728 0.8177 0.2815 0.164 Uiso 1 1 calc R U
N8 N 0.3952(15) 0.0394(11) -0.0929(16) 0.263(10) Uani 1 1 d D U
N7 N 0.7694(17) 0.7844(10) 0.1727(17) 0.227(9) 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 '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
I1 Ag1 Ag2 165.55(6) . .
I1 Ag1 I2 107.10(4) . .
Ag2 Ag1 I2 60.47(3) . .
I1 Ag1 I5 129.50(5) . 4_575
Ag2 Ag1 I5 62.27(4) . 4_575
I2 Ag1 I5 95.27(3) . 4_575
I1 Ag1 I4 124.98(4) . 4_575
Ag2 Ag1 I4 57.31(3) . 4_575
I2 Ag1 I4 105.28(3) . 4_575
I5 Ag1 I4 89.52(3) 4_575 4_575
I3 Ag2 I4 116.62(4) . 4_575
I3 Ag2 Ag1 163.41(6) . .
I4 Ag2 Ag1 64.74(3) 4_575 .
I3 Ag2 I2 104.45(4) . .
I4 Ag2 I2 112.20(4) 4_575 .
Ag1 Ag2 I2 62.05(3) . .
I3 Ag2 I5 133.10(5) . 4_575
I4 Ag2 I5 93.02(3) 4_575 4_575
Ag1 Ag2 I5 61.20(3) . 4_575
I2 Ag2 I5 95.56(3) . 4_575
I5 Ag3 I3 115.53(3) . .
I5 Ag3 I2 121.01(4) . .
I3 Ag3 I2 103.56(3) . .
I5 Ag3 I4 95.41(3) . .
I3 Ag3 I4 122.63(4) . .
I2 Ag3 I4 98.77(3) . .
Ag3 I2 Ag2 70.93(3) . .
Ag3 I2 Ag1 121.02(3) . .
Ag2 I2 Ag1 57.48(3) . .
Ag2 I3 Ag3 74.68(3) . .
Ag3 I5 Ag1 75.77(3) . 4_576
Ag3 I5 Ag2 81.38(3) . 4_576
Ag1 I5 Ag2 56.53(3) 4_576 4_576
Ag2 I4 Ag3 83.40(3) 4_576 .
Ag2 I4 Ag1 57.96(3) 4_576 4_576
Ag3 I4 Ag1 73.88(3) . 4_576
N2 Co1 N4 167.3(2) . .
N2 Co1 N5 95.6(2) . .
N4 Co1 N5 96.5(2) . .
N2 Co1 N1 78.4(3) . .
N4 Co1 N1 96.4(2) . .
N5 Co1 N1 96.1(2) . .
N2 Co1 N6 94.0(2) . .
N4 Co1 N6 92.4(2) . .
N5 Co1 N6 78.3(2) . .
N1 Co1 N6 170.2(3) . .
N2 Co1 N3 90.7(2) . .
N4 Co1 N3 78.1(2) . .
N5 Co1 N3 168.7(2) . .
N1 Co1 N3 94.3(2) . .
N6 Co1 N3 91.9(2) . .
C1 N1 C12 118.0(7) . .
C1 N1 Co1 129.0(6) . .
C12 N1 Co1 112.7(5) . .
C10 N2 C11 117.6(7) . .
C10 N2 Co1 128.7(6) . .
C11 N2 Co1 113.0(5) . .
C13 N3 C24 117.3(6) . .
C13 N3 Co1 129.3(5) . .
C24 N3 Co1 113.0(4) . .
C22 N4 C23 116.8(7) . .
C22 N4 Co1 129.0(5) . .
C23 N4 Co1 114.1(5) . .
C25 N5 C36 117.4(7) . .
C25 N5 Co1 128.7(6) . .
C36 N5 Co1 113.8(5) . .
C34 N6 C35 117.4(7) . .
C34 N6 Co1 129.5(6) . .
C35 N6 Co1 113.0(5) . .
N1 C1 C2 122.6(9) . .
N1 C1 H1 118.7 . .
C2 C1 H1 118.7 . .
C3 C2 C1 118.5(9) . .
C3 C2 H2 120.8 . .
C1 C2 H2 120.8 . .
C2 C3 C4 120.6(9) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C3 C4 C12 117.1(9) . .
C3 C4 C5 124.9(9) . .
C12 C4 C5 118.0(9) . .
C6 C5 C4 122.3(10) . .
C6 C5 H5 118.8 . .
C4 C5 H5 118.8 . .
C5 C6 C7 121.8(10) . .
C5 C6 H6 119.1 . .
C7 C6 H6 119.1 . .
C11 C7 C8 116.7(8) . .
C11 C7 C6 117.8(9) . .
C8 C7 C6 125.5(9) . .
C9 C8 C7 121.1(8) . .
C9 C8 H8 119.5 . .
C7 C8 H8 119.5 . .
C8 C9 C10 118.1(9) . .
C8 C9 H9 121.0 . .
C10 C9 H9 121.0 . .
N2 C10 C9 124.4(9) . .
N2 C10 H10 117.8 . .
C9 C10 H10 117.8 . .
N2 C11 C7 122.1(8) . .
N2 C11 C12 117.1(7) . .
C7 C11 C12 120.8(8) . .
N1 C12 C4 123.2(8) . .
N1 C12 C11 117.5(7) . .
C4 C12 C11 119.3(8) . .
N3 C13 C14 123.6(8) . .
N3 C13 H13 118.2 . .
C14 C13 H13 118.2 . .
C15 C14 C13 119.2(8) . .
C15 C14 H14 120.4 . .
C13 C14 H14 120.4 . .
C14 C15 C16 119.8(8) . .
C14 C15 H15 120.1 . .
C16 C15 H15 120.1 . .
C24 C16 C15 117.1(8) . .
C24 C16 C17 119.0(7) . .
C15 C16 C17 123.9(8) . .
C18 C17 C16 120.8(8) . .
C18 C17 H17 119.6 . .
C16 C17 H17 119.6 . .
C17 C18 C19 122.3(8) . .
C17 C18 H18 118.9 . .
C19 C18 H18 118.9 . .
C23 C19 C20 117.0(8) . .
C23 C19 C18 118.3(7) . .
C20 C19 C18 124.7(8) . .
C21 C20 C19 119.4(8) . .
C21 C20 H20 120.3 . .
C19 C20 H20 120.3 . .
C20 C21 C22 119.4(8) . .
C20 C21 H21 120.3 . .
C22 C21 H21 120.3 . .
N4 C22 C21 124.2(8) . .
N4 C22 H22 117.9 . .
C21 C22 H22 117.9 . .
N4 C23 C19 123.1(7) . .
N4 C23 C24 116.9(6) . .
C19 C23 C24 119.9(7) . .
N3 C24 C16 123.0(7) . .
N3 C24 C23 117.4(6) . .
C16 C24 C23 119.6(7) . .
N5 C25 C26 122.9(9) . .
N5 C25 H25 118.6 . .
C26 C25 H25 118.6 . .
C27 C26 C25 120.4(10) . .
C27 C26 H26 119.8 . .
C25 C26 H26 119.8 . .
C26 C27 C28 119.7(9) . .
C26 C27 H27 120.2 . .
C28 C27 H27 120.2 . .
C27 C28 C36 117.1(9) . .
C27 C28 C29 124.5(10) . .
C36 C28 C29 118.4(10) . .
C30 C29 C28 121.1(10) . .
C30 C29 H29 119.5 . .
C28 C29 H29 119.5 . .
C29 C30 C31 123.0(10) . .
C29 C30 H30 118.5 . .
C31 C30 H30 118.5 . .
C32 C31 C35 116.7(9) . .
C32 C31 C30 125.9(9) . .
C35 C31 C30 117.4(10) . .
C33 C32 C31 120.7(9) . .
C33 C32 H32 119.6 . .
C31 C32 H32 119.6 . .
C32 C33 C34 118.7(9) . .
C32 C33 H33 120.6 . .
C34 C33 H33 120.6 . .
N6 C34 C33 123.9(9) . .
N6 C34 H34 118.0 . .
C33 C34 H34 118.0 . .
N6 C35 C31 122.6(8) . .
N6 C35 C36 117.7(7) . .
C31 C35 C36 119.7(8) . .
N5 C36 C28 122.5(8) . .
N5 C36 C35 117.1(7) . .
C28 C36 C35 120.4(8) . .
N7 C38 C37 169(2) . .
C40 C39 H39A 109.5 . .
C40 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C40 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
N8 C40 C39 158(3) . .
C38 C37 H37A 109.5 . .
C38 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C38 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 I1 2.6993(11) .
Ag1 Ag2 2.8714(13) .
Ag1 I2 3.0079(12) .
Ag1 I5 3.0164(13) 4_575
Ag1 I4 3.0635(13) 4_575
Ag2 I3 2.7385(11) .
Ag2 I4 2.8508(11) 4_575
Ag2 I2 2.9629(12) .
Ag2 I5 3.0470(14) 4_575
Ag3 I5 2.8527(10) .
Ag3 I3 2.8541(11) .
Ag3 I2 2.8846(10) .
Ag3 I4 2.9346(10) .
I5 Ag1 3.0165(13) 4_576
I5 Ag2 3.0470(14) 4_576
I4 Ag2 2.8509(11) 4_576
I4 Ag1 3.0635(13) 4_576
Co1 N2 2.116(6) .
Co1 N4 2.121(6) .
Co1 N5 2.122(6) .
Co1 N1 2.134(6) .
Co1 N6 2.147(6) .
Co1 N3 2.151(6) .
N1 C1 1.330(10) .
N1 C12 1.358(10) .
N2 C10 1.319(10) .
N2 C11 1.366(10) .
N3 C13 1.322(9) .
N3 C24 1.358(9) .
N4 C22 1.336(9) .
N4 C23 1.364(9) .
N5 C25 1.330(10) .
N5 C36 1.375(10) .
N6 C34 1.316(10) .
N6 C35 1.363(10) .
C1 C2 1.404(12) .
C1 H1 0.9300 .
C2 C3 1.371(14) .
C2 H2 0.9300 .
C3 C4 1.388(14) .
C3 H3 0.9300 .
C4 C12 1.398(11) .
C4 C5 1.455(14) .
C5 C6 1.304(14) .
C5 H5 0.9300 .
C6 C7 1.436(14) .
C6 H6 0.9300 .
C7 C11 1.406(11) .
C7 C8 1.412(13) .
C8 C9 1.342(13) .
C8 H8 0.9300 .
C9 C10 1.392(11) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.434(11) .
C13 C14 1.394(11) .
C13 H13 0.9300 .
C14 C15 1.349(12) .
C14 H14 0.9300 .
C15 C16 1.405(11) .
C15 H15 0.9300 .
C16 C24 1.404(10) .
C16 C17 1.438(12) .
C17 C18 1.336(12) .
C17 H17 0.9300 .
C18 C19 1.438(12) .
C18 H18 0.9300 .
C19 C23 1.400(11) .
C19 C20 1.411(11) .
C20 C21 1.367(12) .
C20 H20 0.9300 .
C21 C22 1.364(11) .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.448(10) .
C25 C26 1.385(12) .
C25 H25 0.9300 .
C26 C27 1.348(15) .
C26 H26 0.9300 .
C27 C28 1.406(14) .
C27 H27 0.9300 .
C28 C36 1.409(11) .
C28 C29 1.424(14) .
C29 C30 1.341(16) .
C29 H29 0.9300 .
C30 C31 1.424(14) .
C30 H30 0.9300 .
C31 C32 1.393(14) .
C31 C35 1.422(11) .
C32 C33 1.351(13) .
C32 H32 0.9300 .
C33 C34 1.398(12) .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C36 1.436(11) .
C38 N7 1.14(2) .
C38 C37 1.345(17) .
C39 C40 1.474(15) .
C39 H39A 0.9600 .
C39 H39B 0.9600 .
C39 H39C 0.9600 .
C40 N8 1.223(15) .
C37 H37A 0.9600 .
C37 H37B 0.9600 .
C37 H37C 0.9600 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C37 H37C I1 0.96 3.30 4.097(14) 141.7 1_655
C37 H37B I1 0.96 3.04 3.951(13) 159.3 4_675
C39 H39C I5 0.96 3.31 4.047(14) 134.9 3_666
C39 H39A N8 0.96 2.24 3.09(3) 146.3 3_655
C33 H33 I1 0.93 3.29 4.174(9) 158.4 2_656
C25 H25 I3 0.93 3.19 3.915(9) 136.3 4_575
C21 H21 I2 0.93 3.15 3.834(8) 132.2 1_655
C14 H14 I1 0.93 3.22 3.896(8) 131.2 3_676
C13 H13 N2 0.93 2.68 3.210(10) 117.2 .
C9 H9 I3 0.93 3.08 3.849(8) 141.4 2_656
C37 H37C I1 0.96 3.30 4.097(14) 141.7 1_655
C37 H37B I1 0.96 3.04 3.951(13) 159.3 4_675
C39 H39C I5 0.96 3.31 4.047(14) 134.9 3_666
C39 H39A N8 0.96 2.24 3.09(3) 146.3 3_655
C33 H33 I1 0.93 3.29 4.174(9) 158.4 2_656
C25 H25 I3 0.93 3.19 3.915(9) 136.3 4_575
C21 H21 I2 0.93 3.15 3.834(8) 132.2 1_655
C14 H14 I1 0.93 3.22 3.896(8) 131.2 3_676
C13 H13 N2 0.93 2.68 3.210(10) 117.2 .
C9 H9 I3 0.93 3.08 3.849(8) 141.4 2_656
C37 H37C I1 0.96 3.30 4.097(14) 141.7 1_655
C37 H37B I1 0.96 3.04 3.951(13) 159.3 4_675
C39 H39C I5 0.96 3.31 4.047(14) 134.9 3_666
C39 H39A N8 0.96 2.24 3.09(3) 146.3 3_655
C33 H33 I1 0.93 3.29 4.174(9) 158.4 2_656
C25 H25 I3 0.93 3.19 3.915(9) 136.3 4_575
C21 H21 I2 0.93 3.15 3.834(8) 132.2 1_655
C14 H14 I1 0.93 3.22 3.896(8) 131.2 3_676
C13 H13 N2 0.93 2.68 3.210(10) 117.2 .
C9 H9 I3 0.93 3.08 3.849(8) 141.4 2_656
C37 H37C I1 0.96 3.30 4.097(14) 141.7 1_655
C37 H37B I1 0.96 3.04 3.951(13) 159.3 4_675
C39 H39C I5 0.96 3.31 4.047(14) 134.9 3_666
C39 H39A N8 0.96 2.24 3.09(3) 146.3 3_655
C33 H33 I1 0.93 3.29 4.174(9) 158.4 2_656
C25 H25 I3 0.93 3.19 3.915(9) 136.3 4_575
C21 H21 I2 0.93 3.15 3.834(8) 132.2 1_655
C14 H14 I1 0.93 3.22 3.896(8) 131.2 3_676
C13 H13 N2 0.93 2.68 3.210(10) 117.2 .
C9 H9 I3 0.93 3.08 3.849(8) 141.4 2_656
C37 H37C I1 0.96 3.30 4.097(14) 141.7 1_655
C37 H37B I1 0.96 3.04 3.951(13) 159.3 4_675
C39 H39A N8 0.96 2.24 3.09(3) 146.3 3_655
C33 H33 I1 0.93 3.29 4.174(9) 158.4 2_656
C25 H25 I3 0.93 3.19 3.915(9) 136.3 4_575
C21 H21 I2 0.93 3.15 3.834(8) 132.2 1_655
C14 H14 I1 0.93 3.22 3.896(8) 131.2 3_676
C13 H13 N2 0.93 2.68 3.210(10) 117.2 .
C9 H9 I3 0.93 3.08 3.849(8) 141.4 2_656
C9 H9 I3 0.93 3.08 3.849(8) 141.4 2_656
C13 H13 N2 0.93 2.68 3.210(10) 117.2 .
C14 H14 I1 0.93 3.22 3.896(8) 131.2 3_676
C21 H21 I2 0.93 3.15 3.834(8) 132.2 1_655
C25 H25 I3 0.93 3.19 3.915(9) 136.3 4_575
C33 H33 I1 0.93 3.29 4.174(9) 158.4 2_656
C39 H39A N8 0.96 2.24 3.09(3) 146.3 3_655
C37 H37B I1 0.96 3.04 3.951(13) 159.3 4_675
C37 H37C I1 0.96 3.30 4.097(14) 141.7 1_655
C9 H9 I3 0.93 3.08 3.849(8) 141.4 2_656
C13 H13 N2 0.93 2.68 3.210(10) 117.2 .
C14 H14 I1 0.93 3.22 3.896(8) 131.2 3_676
C21 H21 I2 0.93 3.15 3.834(8) 132.2 1_655
C25 H25 I3 0.93 3.19 3.915(9) 136.3 4_575
C33 H33 I1 0.93 3.29 4.174(9) 158.4 2_656
C39 H39A N8 0.96 2.24 3.09(3) 146.3 3_655
C39 H39C I5 0.96 3.31 4.047(14) 134.9 3_666
C37 H37B I1 0.96 3.04 3.951(13) 159.3 4_675
C37 H37C I1 0.96 3.30 4.097(14) 141.7 1_655
