#------------------------------------------------------------------------------
#$Date: 2016-03-25 09:20:00 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179719 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/21/7002143.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_7002143
loop_
_publ_author_name
'Bellusci, Anna'
'Ghedini, Mauro'
'Giorgini, Loris'
'Gozzo, Fabia'
'Szerb, Elisabeta I.'
'Crispini, Alessandra'
'Pucci, Daniela'
_publ_section_title
;
 Anion dependent mesomorphism in coordination networks based on
 2,2′-bipyridine silver(i) complexes
;
_journal_issue                   36
_journal_name_full               'Dalton Transactions'
_journal_page_first              7381
_journal_page_last               7389
_journal_paper_doi               10.1039/b906178a
_journal_year                    2009
_chemical_formula_moiety         '(C36 H36 Ag2 N6) 2(CF3SO3) (CHCl3)'
_chemical_formula_sum            'C39 H37 Ag2 Cl3 F6 N6 O6 S2'
_chemical_formula_weight         1185.96
_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                90.056(15)
_cell_angle_beta                 104.393(16)
_cell_angle_gamma                104.420(17)
_cell_formula_units_Z            2
_cell_length_a                   12.137(6)
_cell_length_b                   13.229(5)
_cell_length_c                   16.280(8)
_cell_measurement_reflns_used    4743
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      22.93
_cell_measurement_theta_min      2.47
_cell_volume                     2447(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0655
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15691
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         1.29
_exptl_absorpt_coefficient_mu    1.121
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.595
_refine_diff_density_min         -0.581
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         8121
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0777
_refine_ls_R_factor_gt           0.0496
_refine_ls_shift/su_max          0.042
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0517P)²+1.7679P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1152
_refine_ls_wR_factor_ref         0.1327
_reflns_number_gt                5666
_reflns_number_total             8121
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b906178a.txt
_cod_data_source_block           (M2)
_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_database_code               7002143
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
Ag1 Ag 0.86512(4) 0.96459(3) 0.50325(2) 0.06055(16) Uani 1 1 d . . .
Ag2 Ag 0.62988(4) 1.00175(4) 0.50719(2) 0.06382(17) Uani 1 1 d . . .
S1 S 0.75438(17) 0.51397(14) 0.43548(12) 0.0826(5) Uani 1 1 d . . .
S2 S 0.19272(18) 0.85142(17) 1.01892(13) 0.0948(6) Uani 1 1 d . . .
N1 N 0.8105(4) 0.9010(3) 0.6193(2) 0.0463(10) Uani 1 1 d . . .
N2 N 0.7777(3) 1.1120(3) 0.6006(2) 0.0433(9) Uani 1 1 d . . .
N3 N 0.8130(4) 0.9074(3) 0.3605(3) 0.0571(11) Uani 1 1 d . . .
N4 N 0.9256(4) 1.1111(3) 0.4245(3) 0.0529(11) Uani 1 1 d . . .
N5 N 0.5240(4) 0.8481(3) 0.4286(2) 0.0557(11) Uani 1 1 d . . .
N6 N 0.5433(5) 1.0459(4) 0.3677(3) 0.0732(15) Uani 1 1 d . . .
O1 O 0.7181(5) 0.5777(5) 0.4907(4) 0.134(2) Uani 1 1 d . . .
O2 O 0.7716(5) 0.4166(5) 0.4667(4) 0.141(2) Uani 1 1 d . . .
O3 O 0.8427(5) 0.5715(4) 0.3943(4) 0.1139(17) Uani 1 1 d . . .
O4 O 0.2239(8) 0.9644(6) 1.0432(7) 0.200(5) Uani 0.913(10) 1 d P A 1
O5 O 0.2073(7) 0.7914(8) 1.0898(5) 0.166(4) Uani 0.913(10) 1 d P A 1
O6 O 0.2287(7) 0.8222(8) 0.9497(5) 0.162(4) Uani 0.913(10) 1 d P A 1
O4A O 0.300(4) 0.804(4) 1.031(3) 0.077(19) Uiso 0.087(10) 1 d P A 2
O5A O 0.223(5) 0.924(4) 0.956(4) 0.081(19) Uiso 0.087(10) 1 d P A 2
O6A O 0.209(5) 0.883(5) 1.105(3) 0.078(18) Uiso 0.087(10) 1 d P A 2
C1 C 0.7823(5) 0.7952(4) 0.6265(3) 0.0582(14) Uani 1 1 d . . .
H1 H 0.7850 0.7517 0.5825 0.070 Uiso 1 1 calc R . .
C2 C 0.7498(5) 0.7497(4) 0.6972(4) 0.0652(15) Uani 1 1 d . . .
H2 H 0.7307 0.6773 0.6990 0.078 Uiso 1 1 calc R . .
C3 C 0.7457(5) 0.8120(4) 0.7653(4) 0.0620(15) Uani 1 1 d . . .
C4 C 0.7756(5) 0.9207(4) 0.7579(3) 0.0535(13) Uani 1 1 d . . .
H4 H 0.7752 0.9653 0.8020 0.064 Uiso 1 1 calc R . .
C5 C 0.8060(4) 0.9631(3) 0.6852(3) 0.0405(11) Uani 1 1 d . . .
C6 C 0.8345(4) 1.0791(3) 0.6751(3) 0.0420(11) Uani 1 1 d . . .
C7 C 0.9167(4) 1.1504(4) 0.7393(3) 0.0519(13) Uani 1 1 d . . .
H7 H 0.9517 1.1259 0.7901 0.062 Uiso 1 1 calc R . .
C8 C 0.9465(5) 1.2586(4) 0.7273(3) 0.0573(14) Uani 1 1 d . . .
C9 C 0.8911(5) 1.2908(4) 0.6494(3) 0.0595(14) Uani 1 1 d . . .
H9 H 0.9099 1.3609 0.6376 0.071 Uiso 1 1 calc R . .
C10 C 0.8070(5) 1.2166(4) 0.5894(3) 0.0528(13) Uani 1 1 d . . .
H10 H 0.7690 1.2400 0.5390 0.063 Uiso 1 1 calc R . .
C11 C 0.7072(6) 0.7631(5) 0.8425(4) 0.090(2) Uani 1 1 d . . .
H11C H 0.6302 0.7161 0.8238 0.135 Uiso 1 1 calc R . .
H11B H 0.7052 0.8174 0.8809 0.135 Uiso 1 1 calc R . .
H11A H 0.7621 0.7253 0.8710 0.135 Uiso 1 1 calc R . .
C12 C 1.0347(6) 1.3374(5) 0.7959(4) 0.093(2) Uani 1 1 d . . .
H12C H 1.0928 1.3810 0.7717 0.139 Uiso 1 1 calc R . .
H12B H 1.0726 1.3007 0.8406 0.139 Uiso 1 1 calc R . .
H12A H 0.9943 1.3800 0.8186 0.139 Uiso 1 1 calc R . .
C13 C 0.7633(6) 0.8063(4) 0.3296(3) 0.0699(17) Uani 1 1 d . . .
H13 H 0.7516 0.7554 0.3682 0.084 Uiso 1 1 calc R . .
C14 C 0.7290(6) 0.7746(5) 0.2432(3) 0.0712(17) Uani 1 1 d . . .
H14 H 0.6935 0.7047 0.2253 0.085 Uiso 1 1 calc R . .
C15 C 0.7483(5) 0.8485(4) 0.1843(3) 0.0649(15) Uani 1 1 d . . .
C16 C 0.7999(5) 0.9531(4) 0.2155(3) 0.0589(14) Uani 1 1 d . . .
H16 H 0.8144 1.0045 0.1778 0.071 Uiso 1 1 calc R . .
C17 C 0.8300(4) 0.9810(4) 0.3035(3) 0.0476(12) Uani 1 1 d . . .
C18 C 0.8825(4) 1.0930(4) 0.3381(3) 0.0489(12) Uani 1 1 d . . .
C19 C 0.8852(5) 1.1772(4) 0.2855(4) 0.0640(15) Uani 1 1 d . . .
H19 H 0.8557 1.1637 0.2270 0.077 Uiso 1 1 calc R . .
C20 C 0.9318(6) 1.2825(4) 0.3195(4) 0.0733(17) Uani 1 1 d . . .
C21 C 0.9738(5) 1.2980(5) 0.4073(4) 0.0724(17) Uani 1 1 d . . .
H21 H 1.0032 1.3656 0.4327 0.087 Uiso 1 1 calc R . .
C22 C 0.9717(5) 1.2129(5) 0.4571(4) 0.0637(15) Uani 1 1 d . . .
H22 H 1.0032 1.2255 0.5155 0.076 Uiso 1 1 calc R . .
C23 C 0.7127(8) 0.8173(6) 0.0879(4) 0.108(3) Uani 1 1 d . . .
H23C H 0.7172 0.7469 0.0791 0.162 Uiso 1 1 calc R . .
H23B H 0.7651 0.8638 0.0608 0.162 Uiso 1 1 calc R . .
H23A H 0.6335 0.8219 0.0639 0.162 Uiso 1 1 calc R . .
C24 C 0.9350(8) 1.3738(5) 0.2622(5) 0.126(3) Uani 1 1 d . . .
H24C H 0.9198 1.4311 0.2900 0.189 Uiso 1 1 calc R . .
H24B H 0.8759 1.3523 0.2096 0.189 Uiso 1 1 calc R . .
H24A H 1.0112 1.3956 0.2511 0.189 Uiso 1 1 calc R . .
C25 C 0.5010(5) 0.7518(5) 0.4598(4) 0.0708(17) Uani 1 1 d . . .
H25 H 0.5358 0.7458 0.5167 0.085 Uiso 1 1 calc R . .
C26 C 0.4289(6) 0.6623(5) 0.4119(4) 0.0762(18) Uani 1 1 d . . .
H26 H 0.4184 0.5983 0.4365 0.091 Uiso 1 1 calc R . .
C27 C 0.3717(5) 0.6679(4) 0.3268(4) 0.0659(15) Uani 1 1 d . . .
C28 C 0.3954(5) 0.7660(4) 0.2941(3) 0.0579(14) Uani 1 1 d . . .
H28 H 0.3604 0.7733 0.2375 0.070 Uiso 1 1 calc R . .
C29 C 0.4717(4) 0.8548(4) 0.3453(3) 0.0479(12) Uani 1 1 d . . .
C30 C 0.5029(4) 0.9620(4) 0.3105(3) 0.0486(12) Uani 1 1 d . . .
C31 C 0.4922(5) 0.9731(4) 0.2236(3) 0.0587(14) Uani 1 1 d . . .
H31 H 0.4625 0.9142 0.1857 0.070 Uiso 1 1 calc R . .
C32 C 0.5258(5) 1.0724(5) 0.1929(4) 0.0678(16) Uani 1 1 d . . .
C33 C 0.5705(6) 1.1575(5) 0.2527(4) 0.0812(19) Uani 1 1 d . . .
H33 H 0.5968 1.2246 0.2360 0.097 Uiso 1 1 calc R . .
C34 C 0.5752(6) 1.1408(5) 0.3384(4) 0.089(2) Uani 1 1 d . . .
H34 H 0.6019 1.1987 0.3772 0.107 Uiso 1 1 calc R . .
C35 C 0.2880(6) 0.5709(5) 0.2730(5) 0.096(2) Uani 1 1 d . . .
H35C H 0.2445 0.5277 0.3076 0.144 Uiso 1 1 calc R . .
H35B H 0.3328 0.5320 0.2511 0.144 Uiso 1 1 calc R . .
H35A H 0.2344 0.5922 0.2266 0.144 Uiso 1 1 calc R . .
C36 C 0.5172(7) 1.0844(6) 0.0988(4) 0.107(3) Uani 1 1 d . . .
H36C H 0.5429 1.1572 0.0893 0.161 Uiso 1 1 calc R . .
H36B H 0.4370 1.0571 0.0668 0.161 Uiso 1 1 calc R . .
H36A H 0.5662 1.0467 0.0808 0.161 Uiso 1 1 calc R . .
C37 C 0.6231(7) 0.4745(5) 0.3512(5) 0.087(2) Uani 1 1 d . . .
C38 C 0.0387(11) 0.8242(14) 0.9776(7) 0.169(5) Uani 1 1 d . A .
F1 F 0.5309(4) 0.4159(4) 0.3757(3) 0.147(2) Uani 1 1 d . . .
F2 F 0.5875(4) 0.5537(4) 0.3109(3) 0.1372(18) Uani 1 1 d . . .
F3 F 0.6399(7) 0.4156(5) 0.2879(4) 0.198(3) Uani 1 1 d . . .
F4 F -0.0189(7) 0.8455(10) 1.0288(5) 0.273(6) Uani 1 1 d . . .
F5 F -0.0009(9) 0.7179(8) 0.9559(8) 0.305(7) Uani 1 1 d . . .
F6 F 0.0084(6) 0.8771(8) 0.9081(4) 0.224(4) Uani 1 1 d . . .
C39 C 0.3116(9) 0.5929(7) 1.0018(5) 0.127(3) Uani 1 1 d . . .
H39 H 0.2814 0.6553 0.9974 0.153 Uiso 1 1 calc R . .
Cl1 Cl 0.3511(4) 0.5759(3) 0.9092(2) 0.2207(18) Uani 1 1 d . . .
Cl2 Cl 0.1963(4) 0.4867(3) 1.0131(2) 0.2229(18) Uani 1 1 d . . .
Cl3 Cl 0.4283(3) 0.6137(4) 1.0933(2) 0.243(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'
F F 0.0171 0.0103 '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'
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'
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
N1 Ag1 N3 134.70(15) . . ?
N1 Ag1 N4 149.42(14) . . ?
N3 Ag1 N4 71.95(15) . . ?
N1 Ag1 Ag2 69.09(10) . . ?
N3 Ag1 Ag2 96.63(11) . . ?
N4 Ag1 Ag2 96.81(10) . . ?
N1 Ag1 Ag1 122.53(10) . 2_776 ?
N3 Ag1 Ag1 89.18(12) . 2_776 ?
N4 Ag1 Ag1 61.34(10) . 2_776 ?
Ag2 Ag1 Ag1 154.44(3) . 2_776 ?
N2 Ag2 N5 158.32(14) . . ?
N2 Ag2 N6 123.54(16) . . ?
N5 Ag2 N6 72.45(15) . . ?
N2 Ag2 Ag1 68.88(10) . . ?
N5 Ag2 Ag1 93.40(11) . . ?
N6 Ag2 Ag1 106.75(13) . . ?
N2 Ag2 Ag2 121.58(10) . 2_676 ?
N5 Ag2 Ag2 75.70(11) . 2_676 ?
N6 Ag2 Ag2 70.89(13) . 2_676 ?
Ag1 Ag2 Ag2 169.08(3) . 2_676 ?
O2 S1 O1 115.7(4) . . ?
O2 S1 O3 115.3(3) . . ?
O1 S1 O3 114.9(4) . . ?
O2 S1 C37 102.9(4) . . ?
O1 S1 C37 100.9(4) . . ?
O3 S1 C37 104.3(3) . . ?
O6 S2 O5 117.1(6) . . ?
O6 S2 O6A 155(2) . . ?
O5 S2 O6A 52(2) . . ?
O6 S2 O5A 58(2) . . ?
O5 S2 O5A 160(2) . . ?
O6A S2 O5A 123(3) . . ?
O6 S2 O4 116.6(6) . . ?
O5 S2 O4 112.2(6) . . ?
O6A S2 O4 62(2) . . ?
O5A S2 O4 62(2) . . ?
O6 S2 O4A 58.4(18) . . ?
O5 S2 O4A 67.0(18) . . ?
O6A S2 O4A 98(3) . . ?
O5A S2 O4A 97(3) . . ?
O4 S2 O4A 114.1(19) . . ?
O6 S2 C38 102.0(6) . . ?
O5 S2 C38 104.2(5) . . ?
O6A S2 C38 103(2) . . ?
O5A S2 C38 96(2) . . ?
O4 S2 C38 101.8(7) . . ?
O4A S2 C38 144(2) . . ?
C1 N1 C5 117.3(4) . . ?
C1 N1 Ag1 119.3(3) . . ?
C5 N1 Ag1 123.4(3) . . ?
C10 N2 C6 117.2(4) . . ?
C10 N2 Ag2 121.1(3) . . ?
C6 N2 Ag2 121.3(3) . . ?
C17 N3 C13 117.7(4) . . ?
C17 N3 Ag1 117.4(3) . . ?
C13 N3 Ag1 124.8(3) . . ?
C18 N4 C22 118.1(4) . . ?
C18 N4 Ag1 114.3(3) . . ?
C22 N4 Ag1 125.6(3) . . ?
C25 N5 C29 116.8(5) . . ?
C25 N5 Ag2 125.6(4) . . ?
C29 N5 Ag2 117.4(3) . . ?
C34 N6 C30 117.7(5) . . ?
C34 N6 Ag2 123.6(4) . . ?
C30 N6 Ag2 112.5(3) . . ?
N1 C1 C2 122.8(5) . . ?
C1 C2 C3 120.7(5) . . ?
C2 C3 C4 116.4(5) . . ?
C2 C3 C11 121.3(5) . . ?
C4 C3 C11 122.3(5) . . ?
C5 C4 C3 121.1(5) . . ?
N1 C5 C4 121.8(4) . . ?
N1 C5 C6 116.5(4) . . ?
C4 C5 C6 121.7(4) . . ?
N2 C6 C7 121.6(4) . . ?
N2 C6 C5 116.9(4) . . ?
C7 C6 C5 121.5(4) . . ?
C6 C7 C8 120.8(4) . . ?
C9 C8 C7 117.0(5) . . ?
C9 C8 C12 121.2(5) . . ?
C7 C8 C12 121.8(5) . . ?
C8 C9 C10 119.4(5) . . ?
N2 C10 C9 123.8(4) . . ?
N3 C13 C14 123.6(5) . . ?
C15 C14 C13 119.4(5) . . ?
C14 C15 C16 117.4(5) . . ?
C14 C15 C23 121.4(5) . . ?
C16 C15 C23 121.2(5) . . ?
C15 C16 C17 120.7(5) . . ?
N3 C17 C16 121.1(5) . . ?
N3 C17 C18 117.4(4) . . ?
C16 C17 C18 121.5(4) . . ?
N4 C18 C19 120.2(5) . . ?
N4 C18 C17 117.4(4) . . ?
C19 C18 C17 122.4(5) . . ?
C18 C19 C20 121.5(5) . . ?
C21 C20 C19 116.7(5) . . ?
C21 C20 C24 121.8(6) . . ?
C19 C20 C24 121.5(6) . . ?
C22 C21 C20 120.1(5) . . ?
N4 C22 C21 123.3(5) . . ?
N5 C25 C26 124.0(5) . . ?
C25 C26 C27 120.1(6) . . ?
C28 C27 C26 116.3(5) . . ?
C28 C27 C35 122.4(6) . . ?
C26 C27 C35 121.4(6) . . ?
C27 C28 C29 121.4(5) . . ?
N5 C29 C28 121.4(5) . . ?
N5 C29 C30 116.1(4) . . ?
C28 C29 C30 122.5(4) . . ?
N6 C30 C31 121.7(5) . . ?
N6 C30 C29 116.9(4) . . ?
C31 C30 C29 121.4(4) . . ?
C30 C31 C32 120.6(5) . . ?
C33 C32 C31 117.0(5) . . ?
C33 C32 C36 122.1(6) . . ?
C31 C32 C36 120.8(6) . . ?
C32 C33 C34 119.1(6) . . ?
N6 C34 C33 123.8(6) . . ?
F1 C37 F2 106.9(6) . . ?
F1 C37 F3 106.4(6) . . ?
F2 C37 F3 103.8(6) . . ?
F1 C37 S1 113.7(5) . . ?
F2 C37 S1 114.5(5) . . ?
F3 C37 S1 110.8(6) . . ?
F4 C38 F6 105.5(13) . . ?
F4 C38 F5 107.3(11) . . ?
F6 C38 F5 109.4(12) . . ?
F4 C38 S2 115.7(10) . . ?
F6 C38 S2 112.2(8) . . ?
F5 C38 S2 106.6(11) . . ?
Cl1 C39 Cl3 114.0(6) . . ?
Cl1 C39 Cl2 111.0(5) . . ?
Cl3 C39 Cl2 109.9(5) . . ?
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
Ag1 N1 2.250(4) . ?
Ag1 N3 2.324(4) . ?
Ag1 N4 2.388(4) . ?
Ag1 Ag2 3.0312(16) . ?
Ag1 Ag1 3.2020(19) 2_776 ?
Ag2 N2 2.234(4) . ?
Ag2 N5 2.301(4) . ?
Ag2 N6 2.392(4) . ?
Ag2 Ag2 3.0915(18) 2_676 ?
S1 O2 1.430(5) . ?
S1 O1 1.447(5) . ?
S1 O3 1.460(5) . ?
S1 C37 1.786(8) . ?
S2 O6 1.393(7) . ?
S2 O5 1.401(7) . ?
S2 O6A 1.42(5) . ?
S2 O5A 1.45(5) . ?
S2 O4 1.475(8) . ?
S2 O4A 1.55(5) . ?
S2 C38 1.765(12) . ?
N1 C1 1.369(6) . ?
N1 C5 1.370(6) . ?
N2 C10 1.365(6) . ?
N2 C6 1.368(5) . ?
N3 C17 1.359(6) . ?
N3 C13 1.361(7) . ?
N4 C18 1.371(6) . ?
N4 C22 1.373(7) . ?
N5 C25 1.361(7) . ?
N5 C29 1.361(6) . ?
N6 C34 1.343(8) . ?
N6 C30 1.356(6) . ?
C1 C2 1.397(7) . ?
C2 C3 1.398(8) . ?
C3 C4 1.406(7) . ?
C3 C11 1.536(7) . ?
C4 C5 1.403(6) . ?
C5 C6 1.505(6) . ?
C6 C7 1.410(7) . ?
C7 C8 1.412(7) . ?
C8 C9 1.401(7) . ?
C8 C12 1.526(8) . ?
C9 C10 1.401(7) . ?
C13 C14 1.395(7) . ?
C14 C15 1.390(7) . ?
C15 C16 1.404(8) . ?
C15 C23 1.547(8) . ?
C16 C17 1.412(7) . ?
C17 C18 1.505(7) . ?
C18 C19 1.405(7) . ?
C19 C20 1.420(8) . ?
C20 C21 1.389(8) . ?
C20 C24 1.526(8) . ?
C21 C22 1.386(8) . ?
C25 C26 1.385(8) . ?
C26 C27 1.399(8) . ?
C27 C28 1.393(8) . ?
C27 C35 1.534(8) . ?
C28 C29 1.416(7) . ?
C29 C30 1.522(7) . ?
C30 C31 1.400(7) . ?
C31 C32 1.406(8) . ?
C32 C33 1.394(8) . ?
C32 C36 1.521(8) . ?
C33 C34 1.402(9) . ?
C37 F1 1.342(8) . ?
C37 F2 1.343(7) . ?
C37 F3 1.376(8) . ?
C38 F4 1.284(13) . ?
C38 F6 1.352(12) . ?
C38 F5 1.383(17) . ?
C39 Cl1 1.722(9) . ?
C39 Cl3 1.748(9) . ?
C39 Cl2 1.765(9) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 Ag1 Ag2 N2 75.10(15) . . . . ?
N3 Ag1 Ag2 N2 -149.37(14) . . . . ?
N4 Ag1 Ag2 N2 -76.84(15) . . . . ?
Ag1 Ag1 Ag2 N2 -47.27(11) 2_776 . . . ?
N1 Ag1 Ag2 N5 -92.05(15) . . . . ?
N3 Ag1 Ag2 N5 43.48(14) . . . . ?
N4 Ag1 Ag2 N5 116.00(15) . . . . ?
Ag1 Ag1 Ag2 N5 145.58(11) 2_776 . . . ?
N1 Ag1 Ag2 N6 -164.74(16) . . . . ?
N3 Ag1 Ag2 N6 -29.21(16) . . . . ?
N4 Ag1 Ag2 N6 43.31(16) . . . . ?
Ag1 Ag1 Ag2 N6 72.89(13) 2_776 . . . ?
N1 Ag1 Ag2 Ag2 -88.92(17) . . . 2_676 ?
N3 Ag1 Ag2 Ag2 46.61(16) . . . 2_676 ?
N4 Ag1 Ag2 Ag2 119.13(17) . . . 2_676 ?
Ag1 Ag1 Ag2 Ag2 148.71(12) 2_776 . . 2_676 ?
N3 Ag1 N1 C1 34.3(4) . . . . ?
N4 Ag1 N1 C1 179.1(3) . . . . ?
Ag2 Ag1 N1 C1 112.5(4) . . . . ?
Ag1 Ag1 N1 C1 -93.1(4) 2_776 . . . ?
N3 Ag1 N1 C5 -147.2(3) . . . . ?
N4 Ag1 N1 C5 -2.3(5) . . . . ?
Ag2 Ag1 N1 C5 -68.9(3) . . . . ?
Ag1 Ag1 N1 C5 85.4(4) 2_776 . . . ?
N5 Ag2 N2 C10 148.8(4) . . . . ?
N6 Ag2 N2 C10 15.2(4) . . . . ?
Ag1 Ag2 N2 C10 111.8(4) . . . . ?
Ag2 Ag2 N2 C10 -71.7(4) 2_676 . . . ?
N5 Ag2 N2 C6 -37.7(6) . . . . ?
N6 Ag2 N2 C6 -171.2(3) . . . . ?
Ag1 Ag2 N2 C6 -74.7(3) . . . . ?
Ag2 Ag2 N2 C6 101.8(3) 2_676 . . . ?
N1 Ag1 N3 C17 156.2(3) . . . . ?
N4 Ag1 N3 C17 -5.9(3) . . . . ?
Ag2 Ag1 N3 C17 89.1(4) . . . . ?
Ag1 Ag1 N3 C17 -65.9(4) 2_776 . . . ?
N1 Ag1 N3 C13 -21.6(6) . . . . ?
N4 Ag1 N3 C13 176.3(5) . . . . ?
Ag2 Ag1 N3 C13 -88.6(5) . . . . ?
Ag1 Ag1 N3 C13 116.3(5) 2_776 . . . ?
N1 Ag1 N4 C18 -143.7(3) . . . . ?
N3 Ag1 N4 C18 10.8(3) . . . . ?
Ag2 Ag1 N4 C18 -84.0(3) . . . . ?
Ag1 Ag1 N4 C18 110.0(3) 2_776 . . . ?
N1 Ag1 N4 C22 19.3(6) . . . . ?
N3 Ag1 N4 C22 173.8(4) . . . . ?
Ag2 Ag1 N4 C22 79.0(4) . . . . ?
Ag1 Ag1 N4 C22 -86.9(4) 2_776 . . . ?
N2 Ag2 N5 C25 48.2(6) . . . . ?
N6 Ag2 N5 C25 -171.2(5) . . . . ?
Ag1 Ag2 N5 C25 82.3(4) . . . . ?
Ag2 Ag2 N5 C25 -97.1(4) 2_676 . . . ?
N2 Ag2 N5 C29 -137.5(4) . . . . ?
N6 Ag2 N5 C29 3.2(3) . . . . ?
Ag1 Ag2 N5 C29 -103.3(3) . . . . ?
Ag2 Ag2 N5 C29 77.3(3) 2_676 . . . ?
N2 Ag2 N6 C34 -2.8(6) . . . . ?
N5 Ag2 N6 C34 -166.4(6) . . . . ?
Ag1 Ag2 N6 C34 -78.2(5) . . . . ?
Ag2 Ag2 N6 C34 113.0(5) 2_676 . . . ?
N2 Ag2 N6 C30 148.8(4) . . . . ?
N5 Ag2 N6 C30 -14.9(4) . . . . ?
Ag1 Ag2 N6 C30 73.4(4) . . . . ?
Ag2 Ag2 N6 C30 -95.4(4) 2_676 . . . ?
C5 N1 C1 C2 0.1(7) . . . . ?
Ag1 N1 C1 C2 178.7(4) . . . . ?
N1 C1 C2 C3 -0.6(9) . . . . ?
C1 C2 C3 C4 0.1(8) . . . . ?
C1 C2 C3 C11 178.5(5) . . . . ?
C2 C3 C4 C5 0.9(8) . . . . ?
C11 C3 C4 C5 -177.5(5) . . . . ?
C1 N1 C5 C4 0.9(7) . . . . ?
Ag1 N1 C5 C4 -177.7(3) . . . . ?
C1 N1 C5 C6 -178.6(4) . . . . ?
Ag1 N1 C5 C6 2.8(5) . . . . ?
C3 C4 C5 N1 -1.4(8) . . . . ?
C3 C4 C5 C6 178.0(5) . . . . ?
C10 N2 C6 C7 2.4(7) . . . . ?
Ag2 N2 C6 C7 -171.3(4) . . . . ?
C10 N2 C6 C5 -177.1(4) . . . . ?
Ag2 N2 C6 C5 9.2(5) . . . . ?
N1 C5 C6 N2 49.6(6) . . . . ?
C4 C5 C6 N2 -129.9(5) . . . . ?
N1 C5 C6 C7 -129.9(5) . . . . ?
C4 C5 C6 C7 50.6(7) . . . . ?
N2 C6 C7 C8 -2.5(7) . . . . ?
C5 C6 C7 C8 177.0(4) . . . . ?
C6 C7 C8 C9 0.0(8) . . . . ?
C6 C7 C8 C12 179.7(5) . . . . ?
C7 C8 C9 C10 2.4(8) . . . . ?
C12 C8 C9 C10 -177.4(5) . . . . ?
C6 N2 C10 C9 0.0(7) . . . . ?
Ag2 N2 C10 C9 173.8(4) . . . . ?
C8 C9 C10 N2 -2.5(8) . . . . ?
C17 N3 C13 C14 -0.2(9) . . . . ?
Ag1 N3 C13 C14 177.6(5) . . . . ?
N3 C13 C14 C15 1.7(10) . . . . ?
C13 C14 C15 C16 -1.4(9) . . . . ?
C13 C14 C15 C23 179.6(6) . . . . ?
C14 C15 C16 C17 -0.3(9) . . . . ?
C23 C15 C16 C17 178.8(6) . . . . ?
C13 N3 C17 C16 -1.6(8) . . . . ?
Ag1 N3 C17 C16 -179.5(4) . . . . ?
C13 N3 C17 C18 178.7(5) . . . . ?
Ag1 N3 C17 C18 0.7(6) . . . . ?
C15 C16 C17 N3 1.8(8) . . . . ?
C15 C16 C17 C18 -178.4(5) . . . . ?
C22 N4 C18 C19 -0.6(7) . . . . ?
Ag1 N4 C18 C19 163.8(4) . . . . ?
C22 N4 C18 C17 -178.8(4) . . . . ?
Ag1 N4 C18 C17 -14.4(5) . . . . ?
N3 C17 C18 N4 9.5(7) . . . . ?
C16 C17 C18 N4 -170.2(5) . . . . ?
N3 C17 C18 C19 -168.6(5) . . . . ?
C16 C17 C18 C19 11.7(8) . . . . ?
N4 C18 C19 C20 0.0(8) . . . . ?
C17 C18 C19 C20 178.0(5) . . . . ?
C18 C19 C20 C21 -0.5(9) . . . . ?
C18 C19 C20 C24 179.8(6) . . . . ?
C19 C20 C21 C22 1.7(9) . . . . ?
C24 C20 C21 C22 -178.6(6) . . . . ?
C18 N4 C22 C21 1.9(8) . . . . ?
Ag1 N4 C22 C21 -160.5(4) . . . . ?
C20 C21 C22 N4 -2.5(9) . . . . ?
C29 N5 C25 C26 0.1(8) . . . . ?
Ag2 N5 C25 C26 174.5(5) . . . . ?
N5 C25 C26 C27 -1.9(10) . . . . ?
C25 C26 C27 C28 2.2(9) . . . . ?
C25 C26 C27 C35 -177.9(6) . . . . ?
C26 C27 C28 C29 -1.0(8) . . . . ?
C35 C27 C28 C29 179.1(5) . . . . ?
C25 N5 C29 C28 1.2(7) . . . . ?
Ag2 N5 C29 C28 -173.7(4) . . . . ?
C25 N5 C29 C30 -177.3(4) . . . . ?
Ag2 N5 C29 C30 7.9(5) . . . . ?
C27 C28 C29 N5 -0.7(8) . . . . ?
C27 C28 C29 C30 177.6(5) . . . . ?
C34 N6 C30 C31 -1.2(8) . . . . ?
Ag2 N6 C30 C31 -154.6(4) . . . . ?
C34 N6 C30 C29 177.7(5) . . . . ?
Ag2 N6 C30 C29 24.3(6) . . . . ?
N5 C29 C30 N6 -22.4(7) . . . . ?
C28 C29 C30 N6 159.2(5) . . . . ?
N5 C29 C30 C31 156.5(5) . . . . ?
C28 C29 C30 C31 -21.9(7) . . . . ?
N6 C30 C31 C32 1.4(8) . . . . ?
C29 C30 C31 C32 -177.4(5) . . . . ?
C30 C31 C32 C33 0.5(8) . . . . ?
C30 C31 C32 C36 178.4(6) . . . . ?
C31 C32 C33 C34 -2.5(9) . . . . ?
C36 C32 C33 C34 179.6(6) . . . . ?
C30 N6 C34 C33 -0.9(10) . . . . ?
Ag2 N6 C34 C33 149.3(5) . . . . ?
C32 C33 C34 N6 2.8(11) . . . . ?
O2 S1 C37 F1 56.6(6) . . . . ?
O1 S1 C37 F1 -63.2(6) . . . . ?
O3 S1 C37 F1 177.4(5) . . . . ?
O2 S1 C37 F2 179.9(6) . . . . ?
O1 S1 C37 F2 60.1(6) . . . . ?
O3 S1 C37 F2 -59.3(6) . . . . ?
O2 S1 C37 F3 -63.1(6) . . . . ?
O1 S1 C37 F3 177.1(5) . . . . ?
O3 S1 C37 F3 57.7(6) . . . . ?
O6 S2 C38 F4 -179.1(12) . . . . ?
O5 S2 C38 F4 58.5(14) . . . . ?
O6A S2 C38 F4 5(3) . . . . ?
O5A S2 C38 F4 -121(3) . . . . ?
O4 S2 C38 F4 -58.3(14) . . . . ?
O4A S2 C38 F4 129(3) . . . . ?
O6 S2 C38 F6 -58.1(13) . . . . ?
O5 S2 C38 F6 179.6(11) . . . . ?
O6A S2 C38 F6 126(3) . . . . ?
O5A S2 C38 F6 0(3) . . . . ?
O4 S2 C38 F6 62.7(13) . . . . ?
O4A S2 C38 F6 -110(3) . . . . ?
O6 S2 C38 F5 61.7(10) . . . . ?
O5 S2 C38 F5 -60.7(10) . . . . ?
O6A S2 C38 F5 -114(3) . . . . ?
O5A S2 C38 F5 120(3) . . . . ?
O4 S2 C38 F5 -177.5(9) . . . . ?
O4A S2 C38 F5 10(3) . . . . ?
