#------------------------------------------------------------------------------
#$Date: 2017-03-05 07:27:40 +0200 (Sun, 05 Mar 2017) $
#$Revision: 193879 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/59/7055966.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_7055966
loop_
_publ_author_name
'Dodds, Christopher A.'
'Hobday, Claire L.'
'Kennedy, Alan R.'
'McKellar, Scott C.'
'Smillie, Katy'
'Walls, Aiden'
_publ_section_title
;
 Ag(i) bipyridyl coordination polymers containing functional anions
;
_journal_issue                   4
_journal_name_full               'New J. Chem.'
_journal_page_first              1574
_journal_paper_doi               10.1039/C6NJ03555H
_journal_volume                  41
_journal_year                    2017
_chemical_formula_sum            'C26.64 H21.14 Ag Cl2.72 N5.14 O2'
_chemical_formula_weight         649.66
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-11-14 deposited with the CCDC.
2017-01-19 downloaded from the CCDC.
;
_cell_angle_alpha                95.438(2)
_cell_angle_beta                 95.833(2)
_cell_angle_gamma                96.716(2)
_cell_formula_units_Z            4
_cell_length_a                   6.81160(10)
_cell_length_b                   13.5608(2)
_cell_length_c                   28.7557(6)
_cell_measurement_reflns_used    21115
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.7620
_cell_measurement_theta_min      2.2310
_cell_volume                     2608.96(8)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type
;
dtrek-CrysAlisPro-abstract goniometer imported rigaku-d*trek images
;
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0199
_diffrn_reflns_av_unetI/netI     0.0223
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.981
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            31146
_diffrn_reflns_point_group_measured_fraction_full 0.984
_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        27.000
_diffrn_reflns_theta_max         27.486
_diffrn_reflns_theta_min         3.031
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.087
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91259
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.654
_exptl_crystal_description       block
_exptl_crystal_F_000             1305
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.411
_refine_diff_density_min         -0.269
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     711
_refine_ls_number_reflns         11757
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0247
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0217P)²+2.1725P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0546
_refine_ls_wR_factor_ref         0.0567
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10506
_reflns_number_total             11757
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6nj03555h2.cif
_cod_data_source_block           2016ncs0040ya
_cod_depositor_comments
'Adding full bibliography for 7055960--7055969.cif.'
_cod_database_code               7055966
_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.
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.13903(2) 0.47036(2) 0.96398(2) 0.01637(4) Uani 1 1 d . . . . .
Ag2 Ag 0.68848(2) -0.01166(2) 0.53021(2) 0.01886(4) Uani 1 1 d . . . . .
Cl1 Cl 0.42087(7) 0.49275(3) 0.86599(2) 0.01840(9) Uani 1 1 d . . . . .
Cl2 Cl 0.18911(9) 0.69747(4) 0.72187(2) 0.02788(12) Uani 1 1 d . . . . .
Cl3 Cl 1.08752(8) 0.03240(4) 0.65643(2) 0.02846(12) Uani 1 1 d . . . . .
Cl4 Cl 0.98702(7) 0.36422(3) 0.76783(2) 0.01835(9) Uani 1 1 d . . . . .
Cl5 Cl 0.76001(10) 0.78926(5) 0.75612(3) 0.0246(2) Uani 0.725(2) 1 d . . P A 1
Cl6 Cl 0.78376(19) 1.00661(10) 0.76568(5) 0.0354(3) Uani 0.725(2) 1 d . . P A 1
O1 O -0.0057(2) 0.53630(10) 0.89110(5) 0.0222(3) Uani 1 1 d . . . . .
O2 O -0.1417(2) 0.62007(10) 0.94754(5) 0.0217(3) Uani 1 1 d . . . . .
O3 O 0.6687(2) 0.09008(10) 0.60590(5) 0.0260(3) Uani 1 1 d . . . . .
O4 O 0.4182(2) 0.13022(10) 0.55800(5) 0.0241(3) Uani 1 1 d . . . . .
N1 N 0.0227(2) 0.31692(10) 0.93428(5) 0.0130(3) Uani 1 1 d . . . . .
N2 N -0.2601(2) -0.01349(11) 0.95301(6) 0.0152(3) Uani 1 1 d . . . . .
N3 N -0.3091(2) -0.07722(11) 0.98715(5) 0.0145(3) Uani 1 1 d . . . . .
N4 N -0.6590(2) -0.39979(11) 0.99811(5) 0.0141(3) Uani 1 1 d . . . . .
N5 N 0.1700(2) 0.62834(11) 0.81918(6) 0.0152(3) Uani 1 1 d D . . . .
H1N H 0.123(3) 0.5872(13) 0.8381(6) 0.018 Uiso 1 1 d D U . . .
N6 N 0.8604(2) 0.10114(11) 0.49566(6) 0.0159(3) Uani 1 1 d . . . . .
N7 N 1.2086(2) 0.43119(11) 0.50855(5) 0.0154(3) Uani 1 1 d . . . . .
N8 N 1.2916(2) 0.51090(11) 0.54259(5) 0.0157(3) Uani 1 1 d . . . . .
N9 N 1.5877(2) 0.85098(11) 0.56042(5) 0.0144(3) Uani 1 1 d . . . . .
N10 N 0.8968(2) 0.21424(11) 0.67926(6) 0.0162(3) Uani 1 1 d D . . . .
H2N H 0.844(3) 0.1617(11) 0.6606(6) 0.019 Uiso 1 1 d D U . . .
C1 C -0.0223(3) 0.24184(12) 0.96033(6) 0.0119(3) Uani 1 1 d . . . . .
H1 H 0.0047 0.2542 0.9936 0.014 Uiso 1 1 calc R U . . .
C2 C -0.1068(3) 0.14683(12) 0.94051(6) 0.0126(3) Uani 1 1 d . . . . .
C3 C -0.1377(3) 0.12821(13) 0.89152(6) 0.0152(4) Uani 1 1 d . . . . .
H3 H -0.1915 0.0636 0.8769 0.018 Uiso 1 1 calc R U . . .
C4 C -0.0891(3) 0.20474(14) 0.86466(7) 0.0178(4) Uani 1 1 d . . . . .
H4 H -0.1074 0.1936 0.8313 0.021 Uiso 1 1 calc R U . . .
C5 C -0.0126(3) 0.29862(13) 0.88748(7) 0.0156(4) Uani 1 1 d . . . . .
H5 H 0.0156 0.3519 0.8690 0.019 Uiso 1 1 calc R U . . .
C6 C -0.1659(3) 0.07074(12) 0.97109(6) 0.0129(3) Uani 1 1 d . . . . .
H6 H -0.1343 0.0839 1.0042 0.016 Uiso 1 1 calc R U . . .
C7 C -0.4174(3) -0.15708(13) 0.96822(6) 0.0143(4) Uani 1 1 d . . . . .
H7 H -0.4536 -0.1659 0.9352 0.017 Uiso 1 1 calc R U . . .
C8 C -0.4865(3) -0.23493(12) 0.99675(6) 0.0124(3) Uani 1 1 d . . . . .
C9 C -0.5933(3) -0.32408(13) 0.97466(7) 0.0140(4) Uani 1 1 d . . . . .
H9 H -0.6206 -0.3314 0.9414 0.017 Uiso 1 1 calc R U . . .
C10 C -0.6181(3) -0.38914(13) 1.04506(7) 0.0147(4) Uani 1 1 d . . . . .
H10 H -0.6615 -0.4430 1.0620 0.018 Uiso 1 1 calc R U . . .
C11 C -0.5148(3) -0.30260(13) 1.06999(7) 0.0151(4) Uani 1 1 d . . . . .
H11 H -0.4899 -0.2972 1.1033 0.018 Uiso 1 1 calc R U . . .
C12 C -0.4489(3) -0.22465(13) 1.04566(6) 0.0140(4) Uani 1 1 d . . . . .
H12 H -0.3787 -0.1647 1.0620 0.017 Uiso 1 1 calc R U . . .
C13 C -0.0945(3) 0.60742(13) 0.90690(7) 0.0156(4) Uani 1 1 d . . . . .
C14 C -0.1431(3) 0.68327(13) 0.87229(7) 0.0159(4) Uani 1 1 d . . . . .
H14A H -0.1967 0.6468 0.8413 0.019 Uiso 1 1 calc R U . . .
H14B H -0.2479 0.7210 0.8837 0.019 Uiso 1 1 calc R U . . .
C15 C 0.0361(3) 0.75619(13) 0.86627(6) 0.0144(4) Uani 1 1 d . . . . .
C16 C 0.1861(3) 0.72818(13) 0.83917(6) 0.0134(3) Uani 1 1 d . . . . .
C17 C 0.3443(3) 0.79949(14) 0.83296(7) 0.0166(4) Uani 1 1 d . . . . .
H17 H 0.4451 0.7807 0.8146 0.020 Uiso 1 1 calc R U . . .
C18 C 0.3558(3) 0.89735(14) 0.85326(7) 0.0207(4) Uani 1 1 d . . . . .
H18 H 0.4630 0.9453 0.8483 0.025 Uiso 1 1 calc R U . . .
C19 C 0.2120(3) 0.92528(14) 0.88058(7) 0.0228(4) Uani 1 1 d . . . . .
H19 H 0.2210 0.9919 0.8950 0.027 Uiso 1 1 calc R U . . .
C20 C 0.0537(3) 0.85493(14) 0.88685(7) 0.0195(4) Uani 1 1 d . . . . .
H20 H -0.0451 0.8745 0.9056 0.023 Uiso 1 1 calc R U . . .
C21 C 0.3132(3) 0.59237(13) 0.79264(6) 0.0144(4) Uani 1 1 d . . . . .
C22 C 0.4361(3) 0.52457(13) 0.80921(6) 0.0151(4) Uani 1 1 d . . . . .
C23 C 0.5701(3) 0.48156(14) 0.78311(7) 0.0194(4) Uani 1 1 d . . . . .
H23 H 0.6476 0.4345 0.7957 0.023 Uiso 1 1 calc R U . . .
C24 C 0.5895(3) 0.50811(15) 0.73850(7) 0.0230(4) Uani 1 1 d . . . . .
H24 H 0.6816 0.4799 0.7202 0.028 Uiso 1 1 calc R U . . .
C25 C 0.4736(3) 0.57612(15) 0.72064(7) 0.0231(4) Uani 1 1 d . . . . .
H25 H 0.4874 0.5953 0.6901 0.028 Uiso 1 1 calc R U . . .
C26 C 0.3377(3) 0.61636(14) 0.74709(7) 0.0187(4) Uani 1 1 d . . . . .
C27 C 0.9496(3) 0.18681(13) 0.52004(7) 0.0157(4) Uani 1 1 d . . . . .
H27 H 0.9588 0.1925 0.5534 0.019 Uiso 1 1 calc R U . . .
C28 C 1.0293(3) 0.26774(13) 0.49845(6) 0.0138(4) Uani 1 1 d . . . . .
C29 C 1.0129(3) 0.25921(13) 0.44951(7) 0.0163(4) Uani 1 1 d . . . . .
H29 H 1.0621 0.3136 0.4336 0.020 Uiso 1 1 calc R U . . .
C30 C 0.9241(3) 0.17046(14) 0.42440(7) 0.0173(4) Uani 1 1 d . . . . .
H30 H 0.9138 0.1626 0.3910 0.021 Uiso 1 1 calc R U . . .
C31 C 0.8505(3) 0.09327(13) 0.44855(7) 0.0173(4) Uani 1 1 d . . . . .
H31 H 0.7905 0.0323 0.4311 0.021 Uiso 1 1 calc R U . . .
C32 C 1.1249(3) 0.35833(13) 0.52755(7) 0.0147(4) Uani 1 1 d . . . . .
H32 H 1.1248 0.3630 0.5607 0.018 Uiso 1 1 calc R U . . .
C33 C 1.3583(3) 0.58788(13) 0.52388(6) 0.0141(4) Uani 1 1 d . . . . .
H33 H 1.3501 0.5864 0.4906 0.017 Uiso 1 1 calc R U . . .
C34 C 1.4477(3) 0.67869(13) 0.55399(6) 0.0140(4) Uani 1 1 d . . . . .
C35 C 1.5133(3) 0.76458(12) 0.53430(6) 0.0127(3) Uani 1 1 d . . . . .
H35 H 1.5053 0.7622 0.5010 0.015 Uiso 1 1 calc R U . . .
C36 C 1.6002(3) 0.85372(14) 0.60731(7) 0.0184(4) Uani 1 1 d . . . . .
H36 H 1.6513 0.9148 0.6259 0.022 Uiso 1 1 calc R U . . .
C37 C 1.5417(3) 0.77127(14) 0.62984(7) 0.0224(4) Uani 1 1 d . . . . .
H37 H 1.5548 0.7753 0.6632 0.027 Uiso 1 1 calc R U . . .
C38 C 1.4639(3) 0.68273(14) 0.60284(7) 0.0203(4) Uani 1 1 d . . . . .
H38 H 1.4219 0.6252 0.6175 0.024 Uiso 1 1 calc R U . . .
C39 C 0.5310(3) 0.14219(13) 0.59560(7) 0.0187(4) Uani 1 1 d . . . . .
C40 C 0.5094(3) 0.22837(14) 0.63269(7) 0.0180(4) Uani 1 1 d . . . . .
H40A H 0.3827 0.2552 0.6245 0.022 Uiso 1 1 calc R U . . .
H40B H 0.5049 0.2029 0.6638 0.022 Uiso 1 1 calc R U . . .
C41 C 0.6812(3) 0.31136(13) 0.63552(6) 0.0158(4) Uani 1 1 d . . . . .
C42 C 0.8699(3) 0.30330(13) 0.65901(6) 0.0147(4) Uani 1 1 d . . . . .
C43 C 1.0243(3) 0.38173(14) 0.66095(7) 0.0171(4) Uani 1 1 d . . . . .
H43 H 1.1517 0.3763 0.6766 0.021 Uiso 1 1 calc R U . . .
C44 C 0.9921(3) 0.46758(14) 0.64010(7) 0.0217(4) Uani 1 1 d . . . . .
H44 H 1.0972 0.5209 0.6420 0.026 Uiso 1 1 calc R U . . .
C45 C 0.8082(3) 0.47604(14) 0.61661(7) 0.0232(4) Uani 1 1 d . . . . .
H45 H 0.7870 0.5346 0.6021 0.028 Uiso 1 1 calc R U . . .
C46 C 0.6551(3) 0.39809(14) 0.61450(7) 0.0203(4) Uani 1 1 d . . . . .
H46 H 0.5291 0.4040 0.5983 0.024 Uiso 1 1 calc R U . . .
C47 C 1.0554(3) 0.20173(13) 0.71146(6) 0.0149(4) Uani 1 1 d . . . . .
C48 C 1.1581(3) 0.11795(14) 0.70610(7) 0.0192(4) Uani 1 1 d . . . . .
C49 C 1.3111(3) 0.09908(15) 0.73820(8) 0.0244(4) Uani 1 1 d . . . . .
H49 H 1.3740 0.0407 0.7331 0.029 Uiso 1 1 calc R U . . .
C50 C 1.3713(3) 0.16606(16) 0.77778(8) 0.0250(4) Uani 1 1 d . . . . .
H50 H 1.4786 0.1551 0.7997 0.030 Uiso 1 1 calc R U . . .
C51 C 1.2735(3) 0.24948(14) 0.78524(7) 0.0207(4) Uani 1 1 d . . . . .
H51 H 1.3138 0.2959 0.8124 0.025 Uiso 1 1 calc R U . . .
C52 C 1.1173(3) 0.26508(13) 0.75316(6) 0.0156(4) Uani 1 1 d . . . . .
C53 C 0.9204(8) 0.9038(3) 0.7657(2) 0.0270(11) Uani 0.725(2) 1 d . . P A 1
H53A H 1.0035 0.9074 0.7963 0.032 Uiso 0.725(2) 1 calc R U P A 1
H53B H 1.0101 0.9068 0.7407 0.032 Uiso 0.725(2) 1 calc R U P A 1
C54 C 0.8068(14) 0.9509(10) 0.7699(3) 0.032(2) Uani 0.275(2) 1 d . U P A 2
N11 N 0.7188(17) 1.0109(9) 0.7800(4) 0.043(3) Uani 0.275(2) 1 d . U P A 2
C55 C 0.909(3) 0.8689(11) 0.7566(6) 0.044(4) Uani 0.275(2) 1 d . U P A 2
H55A H 1.0349 0.8736 0.7770 0.066 Uiso 0.275(2) 1 calc R U P A 2
H55B H 0.9360 0.8703 0.7239 0.066 Uiso 0.275(2) 1 calc R U P A 2
H55C H 0.8266 0.8063 0.7599 0.066 Uiso 0.275(2) 1 calc R U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N4 Ag1 N1 161.53(6) 1_665 .
N4 Ag1 O1 101.77(5) 1_665 .
N1 Ag1 O1 90.43(5) . .
N4 Ag1 Ag1 85.01(4) 1_665 2_567
N1 Ag1 Ag1 106.00(4) . 2_567
O1 Ag1 Ag1 102.61(3) . 2_567
N6 Ag2 N9 163.36(6) . 1_445
N6 Ag2 O3 98.78(5) . .
N9 Ag2 O3 90.74(5) 1_445 .
N6 Ag2 Ag2 91.32(4) . 2_656
N9 Ag2 Ag2 99.52(4) 1_445 2_656
O3 Ag2 Ag2 104.45(3) . 2_656
C13 O1 Ag1 103.62(12) . .
C39 O3 Ag2 103.12(12) . .
C5 N1 C1 118.39(15) . .
C5 N1 Ag1 117.59(12) . .
C1 N1 Ag1 123.96(12) . .
C6 N2 N3 112.58(15) . .
C7 N3 N2 110.91(15) . .
C9 N4 C10 117.98(15) . .
C9 N4 Ag1 122.42(12) . 1_445
C10 N4 Ag1 119.09(12) . 1_445
C21 N5 C16 122.68(16) . .
C21 N5 H1N 114.3(14) . .
C16 N5 H1N 111.3(14) . .
C31 N6 C27 118.23(16) . .
C31 N6 Ag2 119.98(12) . .
C27 N6 Ag2 120.87(13) . .
C32 N7 N8 111.36(15) . .
C33 N8 N7 112.03(15) . .
C36 N9 C35 118.40(16) . .
C36 N9 Ag2 118.13(12) . 1_665
C35 N9 Ag2 123.47(12) . 1_665
C47 N10 C42 125.31(15) . .
C47 N10 H2N 116.5(14) . .
C42 N10 H2N 111.8(14) . .
N1 C1 C2 122.61(16) . .
N1 C1 H1 118.7 . .
C2 C1 H1 118.7 . .
C1 C2 C3 118.24(16) . .
C1 C2 C6 119.68(16) . .
C3 C2 C6 122.05(16) . .
C4 C3 C2 119.25(16) . .
C4 C3 H3 120.4 . .
C2 C3 H3 120.4 . .
C3 C4 C5 118.63(17) . .
C3 C4 H4 120.7 . .
C5 C4 H4 120.7 . .
N1 C5 C4 122.80(17) . .
N1 C5 H5 118.6 . .
C4 C5 H5 118.6 . .
N2 C6 C2 119.72(17) . .
N2 C6 H6 120.1 . .
C2 C6 H6 120.1 . .
N3 C7 C8 120.88(17) . .
N3 C7 H7 119.6 . .
C8 C7 H7 119.6 . .
C12 C8 C9 117.89(16) . .
C12 C8 C7 122.71(16) . .
C9 C8 C7 119.39(16) . .
N4 C9 C8 123.20(17) . .
N4 C9 H9 118.4 . .
C8 C9 H9 118.4 . .
N4 C10 C11 122.69(17) . .
N4 C10 H10 118.7 . .
C11 C10 H10 118.7 . .
C12 C11 C10 119.02(17) . .
C12 C11 H11 120.5 . .
C10 C11 H11 120.5 . .
C11 C12 C8 119.20(16) . .
C11 C12 H12 120.4 . .
C8 C12 H12 120.4 . .
O2 C13 O1 125.23(17) . .
O2 C13 C14 118.92(16) . .
O1 C13 C14 115.85(17) . .
C15 C14 C13 112.86(15) . .
C15 C14 H14A 109.0 . .
C13 C14 H14A 109.0 . .
C15 C14 H14B 109.0 . .
C13 C14 H14B 109.0 . .
H14A C14 H14B 107.8 . .
C20 C15 C16 118.23(17) . .
C20 C15 C14 120.00(17) . .
C16 C15 C14 121.75(16) . .
C17 C16 N5 122.25(17) . .
C17 C16 C15 119.58(16) . .
N5 C16 C15 118.17(16) . .
C18 C17 C16 120.77(18) . .
C18 C17 H17 119.6 . .
C16 C17 H17 119.6 . .
C19 C18 C17 120.22(19) . .
C19 C18 H18 119.9 . .
C17 C18 H18 119.9 . .
C18 C19 C20 119.42(18) . .
C18 C19 H19 120.3 . .
C20 C19 H19 120.3 . .
C19 C20 C15 121.77(19) . .
C19 C20 H20 119.1 . .
C15 C20 H20 119.1 . .
C22 C21 C26 114.86(17) . .
C22 C21 N5 121.61(16) . .
C26 C21 N5 123.45(17) . .
C23 C22 C21 123.84(17) . .
C23 C22 Cl1 117.99(14) . .
C21 C22 Cl1 118.17(14) . .
C24 C23 C22 119.05(18) . .
C24 C23 H23 120.5 . .
C22 C23 H23 120.5 . .
C23 C24 C25 119.47(19) . .
C23 C24 H24 120.3 . .
C25 C24 H24 120.3 . .
C24 C25 C26 120.30(18) . .
C24 C25 H25 119.9 . .
C26 C25 H25 119.9 . .
C25 C26 C21 122.45(18) . .
C25 C26 Cl2 118.20(15) . .
C21 C26 Cl2 119.33(15) . .
N6 C27 C28 122.76(18) . .
N6 C27 H27 118.6 . .
C28 C27 H27 118.6 . .
C29 C28 C27 118.22(16) . .
C29 C28 C32 122.40(16) . .
C27 C28 C32 119.38(17) . .
C30 C29 C28 119.07(17) . .
C30 C29 H29 120.5 . .
C28 C29 H29 120.5 . .
C29 C30 C31 119.09(18) . .
C29 C30 H30 120.5 . .
C31 C30 H30 120.5 . .
N6 C31 C30 122.60(17) . .
N6 C31 H31 118.7 . .
C30 C31 H31 118.7 . .
N7 C32 C28 120.29(17) . .
N7 C32 H32 119.9 . .
C28 C32 H32 119.9 . .
N8 C33 C34 119.65(17) . .
N8 C33 H33 120.2 . .
C34 C33 H33 120.2 . .
C35 C34 C38 118.02(16) . .
C35 C34 C33 120.51(17) . .
C38 C34 C33 121.44(16) . .
N9 C35 C34 122.72(17) . .
N9 C35 H35 118.6 . .
C34 C35 H35 118.6 . .
N9 C36 C37 122.69(17) . .
N9 C36 H36 118.7 . .
C37 C36 H36 118.7 . .
C36 C37 C38 118.72(18) . .
C36 C37 H37 120.6 . .
C38 C37 H37 120.6 . .
C37 C38 C34 119.43(17) . .
C37 C38 H38 120.3 . .
C34 C38 H38 120.3 . .
O4 C39 O3 125.33(18) . .
O4 C39 C40 118.84(18) . .
O3 C39 C40 115.81(16) . .
C41 C40 C39 111.16(16) . .
C41 C40 H40A 109.4 . .
C39 C40 H40A 109.4 . .
C41 C40 H40B 109.4 . .
C39 C40 H40B 109.4 . .
H40A C40 H40B 108.0 . .
C46 C41 C42 118.37(17) . .
C46 C41 C40 120.06(17) . .
C42 C41 C40 121.57(16) . .
C43 C42 C41 119.78(17) . .
C43 C42 N10 122.10(17) . .
C41 C42 N10 118.11(16) . .
C44 C43 C42 120.23(18) . .
C44 C43 H43 119.9 . .
C42 C43 H43 119.9 . .
C45 C44 C43 120.54(18) . .
C45 C44 H44 119.7 . .
C43 C44 H44 119.7 . .
C44 C45 C46 119.27(18) . .
C44 C45 H45 120.4 . .
C46 C45 H45 120.4 . .
C45 C46 C41 121.80(19) . .
C45 C46 H46 119.1 . .
C41 C46 H46 119.1 . .
N10 C47 C52 124.13(16) . .
N10 C47 C48 121.23(17) . .
C52 C47 C48 114.46(17) . .
C49 C48 C47 123.80(18) . .
C49 C48 Cl3 118.02(15) . .
C47 C48 Cl3 118.18(15) . .
C50 C49 C48 119.31(18) . .
C50 C49 H49 120.3 . .
C48 C49 H49 120.3 . .
C49 C50 C51 119.42(19) . .
C49 C50 H50 120.3 . .
C51 C50 H50 120.3 . .
C52 C51 C50 120.03(18) . .
C52 C51 H51 120.0 . .
C50 C51 H51 120.0 . .
C51 C52 C47 122.90(17) . .
C51 C52 Cl4 117.20(14) . .
C47 C52 Cl4 119.80(14) . .
Cl6 C53 Cl5 111.2(3) . .
Cl6 C53 H53A 109.4 . .
Cl5 C53 H53A 109.4 . .
Cl6 C53 H53B 109.4 . .
Cl5 C53 H53B 109.4 . .
H53A C53 H53B 108.0 . .
N11 C54 C55 176.3(15) . .
C54 C55 H55A 109.5 . .
C54 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C54 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N4 2.1881(15) 1_665
Ag1 N1 2.1970(14) .
Ag1 O1 2.5109(14) .
Ag1 Ag1 3.0597(3) 2_567
Ag2 N6 2.1918(16) .
Ag2 N9 2.1964(15) 1_445
Ag2 O3 2.4887(14) .
Ag2 Ag2 3.0164(3) 2_656
Cl1 C22 1.7377(19) .
Cl2 C26 1.7386(19) .
Cl3 C48 1.741(2) .
Cl4 C52 1.7380(18) .
Cl5 C53 1.773(5) .
Cl6 C53 1.765(5) .
O1 C13 1.270(2) .
O2 C13 1.245(2) .
O3 C39 1.267(2) .
O4 C39 1.247(2) .
N1 C5 1.337(2) .
N1 C1 1.345(2) .
N2 C6 1.279(2) .
N2 N3 1.408(2) .
N3 C7 1.278(2) .
N4 C9 1.340(2) .
N4 C10 1.341(2) .
N4 Ag1 2.1881(15) 1_445
N5 C21 1.401(2) .
N5 C16 1.407(2) .
N5 H1N 0.872(9) .
N6 C31 1.343(2) .
N6 C27 1.343(2) .
N7 C32 1.278(2) .
N7 N8 1.411(2) .
N8 C33 1.277(2) .
N9 C36 1.339(2) .
N9 C35 1.346(2) .
N9 Ag2 2.1964(15) 1_665
N10 C47 1.387(2) .
N10 C42 1.412(2) .
N10 H2N 0.868(9) .
C1 C2 1.392(2) .
C1 H1 0.9500 .
C2 C3 1.397(3) .
C2 C6 1.465(2) .
C3 C4 1.381(3) .
C3 H3 0.9500 .
C4 C5 1.393(3) .
C4 H4 0.9500 .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.461(2) .
C7 H7 0.9500 .
C8 C12 1.394(3) .
C8 C9 1.396(2) .
C9 H9 0.9500 .
C10 C11 1.390(3) .
C10 H10 0.9500 .
C11 C12 1.379(3) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.538(3) .
C14 C15 1.513(3) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C20 1.398(2) .
C15 C16 1.412(3) .
C16 C17 1.399(3) .
C17 C18 1.388(3) .
C17 H17 0.9500 .
C18 C19 1.381(3) .
C18 H18 0.9500 .
C19 C20 1.392(3) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.398(3) .
C21 C26 1.400(3) .
C22 C23 1.385(3) .
C23 C24 1.380(3) .
C23 H23 0.9500 .
C24 C25 1.384(3) .
C24 H24 0.9500 .
C25 C26 1.385(3) .
C25 H25 0.9500 .
C27 C28 1.394(3) .
C27 H27 0.9500 .
C28 C29 1.393(3) .
C28 C32 1.463(2) .
C29 C30 1.383(2) .
C29 H29 0.9500 .
C30 C31 1.384(3) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C32 H32 0.9500 .
C33 C34 1.467(2) .
C33 H33 0.9500 .
C34 C35 1.390(2) .
C34 C38 1.393(3) .
C35 H35 0.9500 .
C36 C37 1.383(3) .
C36 H36 0.9500 .
C37 C38 1.384(3) .
C37 H37 0.9500 .
C38 H38 0.9500 .
C39 C40 1.536(3) .
C40 C41 1.516(3) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C46 1.394(3) .
C41 C42 1.411(3) .
C42 C43 1.398(3) .
C43 C44 1.389(3) .
C43 H43 0.9500 .
C44 C45 1.384(3) .
C44 H44 0.9500 .
C45 C46 1.388(3) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 C52 1.404(3) .
C47 C48 1.406(3) .
C48 C49 1.384(3) .
C49 C50 1.382(3) .
C49 H49 0.9500 .
C50 C51 1.389(3) .
C50 H50 0.9500 .
C51 C52 1.385(3) .
C51 H51 0.9500 .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 N11 1.100(16) .
C54 C55 1.422(15) .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
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
C6 N2 N3 C7 174.47(16) .
C32 N7 N8 C33 -173.54(17) .
C5 N1 C1 C2 -1.1(3) .
Ag1 N1 C1 C2 176.07(13) .
N1 C1 C2 C3 2.8(3) .
N1 C1 C2 C6 -175.38(16) .
C1 C2 C3 C4 -1.8(3) .
C6 C2 C3 C4 176.33(17) .
C2 C3 C4 C5 -0.7(3) .
C1 N1 C5 C4 -1.7(3) .
Ag1 N1 C5 C4 -179.02(14) .
C3 C4 C5 N1 2.6(3) .
N3 N2 C6 C2 -178.84(15) .
C1 C2 C6 N2 173.55(17) .
C3 C2 C6 N2 -4.6(3) .
N2 N3 C7 C8 179.79(15) .
N3 C7 C8 C12 3.7(3) .
N3 C7 C8 C9 -175.69(17) .
C10 N4 C9 C8 -0.6(3) .
Ag1 N4 C9 C8 171.14(13) 1_445
C12 C8 C9 N4 -0.6(3) .
C7 C8 C9 N4 178.85(17) .
C9 N4 C10 C11 1.3(3) .
Ag1 N4 C10 C11 -170.68(14) 1_445
N4 C10 C11 C12 -0.8(3) .
C10 C11 C12 C8 -0.4(3) .
C9 C8 C12 C11 1.1(3) .
C7 C8 C12 C11 -178.35(17) .
Ag1 O1 C13 O2 -17.5(2) .
Ag1 O1 C13 C14 161.73(12) .
O2 C13 C14 C15 102.0(2) .
O1 C13 C14 C15 -77.3(2) .
C13 C14 C15 C20 -105.86(19) .
C13 C14 C15 C16 75.8(2) .
C21 N5 C16 C17 1.6(3) .
C21 N5 C16 C15 -178.46(16) .
C20 C15 C16 C17 -1.2(3) .
C14 C15 C16 C17 177.18(16) .
C20 C15 C16 N5 178.88(16) .
C14 C15 C16 N5 -2.7(2) .
N5 C16 C17 C18 -179.88(17) .
C15 C16 C17 C18 0.2(3) .
C16 C17 C18 C19 1.0(3) .
C17 C18 C19 C20 -1.2(3) .
C18 C19 C20 C15 0.1(3) .
C16 C15 C20 C19 1.0(3) .
C14 C15 C20 C19 -177.36(18) .
C16 N5 C21 C22 111.1(2) .
C16 N5 C21 C26 -72.5(2) .
C26 C21 C22 C23 -1.3(3) .
N5 C21 C22 C23 175.38(18) .
C26 C21 C22 Cl1 178.37(14) .
N5 C21 C22 Cl1 -4.9(2) .
C21 C22 C23 C24 1.7(3) .
Cl1 C22 C23 C24 -177.94(16) .
C22 C23 C24 C25 -0.6(3) .
C23 C24 C25 C26 -0.8(3) .
C24 C25 C26 C21 1.2(3) .
C24 C25 C26 Cl2 -177.39(16) .
C22 C21 C26 C25 -0.2(3) .
N5 C21 C26 C25 -176.79(19) .
C22 C21 C26 Cl2 178.39(14) .
N5 C21 C26 Cl2 1.8(3) .
C31 N6 C27 C28 0.9(3) .
Ag2 N6 C27 C28 -168.09(14) .
N6 C27 C28 C29 0.8(3) .
N6 C27 C28 C32 -179.75(16) .
C27 C28 C29 C30 -1.9(3) .
C32 C28 C29 C30 178.71(17) .
C28 C29 C30 C31 1.3(3) .
C27 N6 C31 C30 -1.5(3) .
Ag2 N6 C31 C30 167.54(14) .
C29 C30 C31 N6 0.5(3) .
N8 N7 C32 C28 -179.92(15) .
C29 C28 C32 N7 -4.5(3) .
C27 C28 C32 N7 176.11(17) .
N7 N8 C33 C34 179.15(15) .
N8 C33 C34 C35 -177.19(17) .
N8 C33 C34 C38 0.8(3) .
C36 N9 C35 C34 0.5(3) .
Ag2 N9 C35 C34 -179.13(13) 1_665
C38 C34 C35 N9 -1.2(3) .
C33 C34 C35 N9 176.82(16) .
C35 N9 C36 C37 0.7(3) .
Ag2 N9 C36 C37 -179.64(16) 1_665
N9 C36 C37 C38 -1.1(3) .
C36 C37 C38 C34 0.4(3) .
C35 C34 C38 C37 0.7(3) .
C33 C34 C38 C37 -177.32(19) .
Ag2 O3 C39 O4 9.7(2) .
Ag2 O3 C39 C40 -168.43(13) .
O4 C39 C40 C41 -107.6(2) .
O3 C39 C40 C41 70.7(2) .
C39 C40 C41 C46 102.4(2) .
C39 C40 C41 C42 -77.4(2) .
C46 C41 C42 C43 0.4(3) .
C40 C41 C42 C43 -179.78(17) .
C46 C41 C42 N10 -178.49(17) .
C40 C41 C42 N10 1.3(3) .
C47 N10 C42 C43 15.4(3) .
C47 N10 C42 C41 -165.70(17) .
C41 C42 C43 C44 0.4(3) .
N10 C42 C43 C44 179.25(17) .
C42 C43 C44 C45 -0.9(3) .
C43 C44 C45 C46 0.7(3) .
C44 C45 C46 C41 0.2(3) .
C42 C41 C46 C45 -0.7(3) .
C40 C41 C46 C45 179.51(18) .
C42 N10 C47 C52 52.2(3) .
C42 N10 C47 C48 -133.0(2) .
N10 C47 C48 C49 -176.81(19) .
C52 C47 C48 C49 -1.5(3) .
N10 C47 C48 Cl3 2.7(3) .
C52 C47 C48 Cl3 178.01(14) .
C47 C48 C49 C50 -1.0(3) .
Cl3 C48 C49 C50 179.51(17) .
C48 C49 C50 C51 1.8(3) .
C49 C50 C51 C52 -0.1(3) .
C50 C51 C52 C47 -2.6(3) .
C50 C51 C52 Cl4 173.83(16) .
N10 C47 C52 C51 178.46(18) .
C48 C47 C52 C51 3.3(3) .
N10 C47 C52 Cl4 2.1(3) .
C48 C47 C52 Cl4 -173.07(14) .
