#------------------------------------------------------------------------------
#$Date: 2017-05-06 00:00:30 +0200 (Sat 06 de May de 2017) $
#$Revision: 196402 $
#$URL: svn://www.crystallography.net/cod/cif/7/04/15/7041551.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_7041551
loop_
_publ_author_name
'Corcos, Amanda R.'
'Berry, John F.'
_publ_section_title
;
 Anilinopyridinate-supported Ru2(x+) (x = 5 or 6) paddlewheel complexes
 with labile axial ligands.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5532
_journal_page_last               5539
_journal_paper_doi               10.1039/c6dt04328c
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C94 H72 Ag2 F18 N16 O18 Ru4 S6, 4(C H2 Cl2)'
_chemical_formula_sum            'C98 H80 Ag2 Cl8 F18 N16 O18 Ru4 S6'
_chemical_formula_weight         3207.76
_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   geom
_atom_sites_solution_primary     direct
_audit_update_record
;
2016-11-13 deposited with the CCDC.
2016-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                110.553(3)
_cell_angle_beta                 103.963(3)
_cell_angle_gamma                96.890(3)
_cell_formula_units_Z            1
_cell_length_a                   12.9901(8)
_cell_length_b                   13.7169(9)
_cell_length_c                   18.0952(11)
_cell_measurement_reflns_used    9878
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      72.05
_cell_measurement_theta_min      2.74
_cell_volume                     2854.5(3)
_computing_cell_refinement       'SAINT+ Ver. 8.34A (Bruker-AXS, 2014)'
_computing_data_collection       'APEX2 Ver. 2014.11-0 (Bruker-AXS, 2014)'
_computing_data_reduction        'SAINT+ Ver. 8.34A (Bruker-AXS, 2014)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.1(2)
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       '0.5° ω and 0.5° φ scans'
_diffrn_radiation_collimation    'focusing mirrors'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1143
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_Laue_measured_fraction_full 0.975
_diffrn_reflns_Laue_measured_fraction_max 0.969
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            95216
_diffrn_reflns_point_group_measured_fraction_full 0.975
_diffrn_reflns_point_group_measured_fraction_max 0.969
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         70.176
_diffrn_reflns_theta_min         2.738
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    10.517
_exptl_absorpt_correction_T_max  0.753555
_exptl_absorpt_correction_T_min  0.288853
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.
 
For component 1:
 wR2(int) was 0.1260 before and 0.0623 after correction.
 The Ratio of minimum to maximum transmission is 0.73.
 The λ/2 correction factor is Not present

Final HKLF 4 output contains 88696 reflections, Rint = 0.1143
 (51980 with I > 3sig(I), Rint = 0.1077)
;
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.866
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1588
_exptl_crystal_size_max          0.212
_exptl_crystal_size_mid          0.169
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.787
_refine_diff_density_min         -1.060
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     783
_refine_ls_number_reflns         10542
_refine_ls_number_restraints     16
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0436
_refine_ls_R_factor_gt           0.0410
_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)+(0.0822P)²+1.3083P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1183
_refine_ls_wR_factor_ref         0.1199
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9642
_reflns_number_total             10542
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt04328c2.cif
_cod_data_source_block           Compound6
_cod_depositor_comments
'Adding full bibliography for 7041550--7041554.cif.'
_cod_database_code               7041551
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 S1-C45A \\sim S1-C45
 with sigma of 0.02
 F3A-C45A \\sim F1A-C45A \\sim F1-C45 \\sim F2-C45 \\sim F2A-C45A \\sim F3-C45
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C45A) = Uanis(C45)
Uanis(F3A) = Uanis(F3)
Uanis(F1A) = Uanis(F1)
Uanis(F2A) = Uanis(F2)
Uanis(Ag1A) = Uanis(Ag1)
4. Others
 Sof(F1A)=Sof(F2A)=Sof(F3A)=Sof(C45A)=1-FVAR(1)
 Sof(F1)=Sof(F2)=Sof(F3)=Sof(C45)=FVAR(1)
 Sof(Ag1A)=1-FVAR(2)
 Sof(Ag1)=FVAR(2)
5.a Secondary CH2 refined with riding coordinates:
 C48(H48A,H48B), C49(H49A,H49B)
5.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C4(H4), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C13(H13), C14(H14), C15(H15), C18(H18), C19(H19), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C29(H29), C30(H30),
 C31(H31), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36), C37(H37), C40(H40),
  C41(H41), C42(H42), C43(H43), C44(H44)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.32025(2) 0.63189(2) 0.78598(2) 0.01971(9) Uani 1 1 d . . . .
Ru2 Ru 0.49972(2) 0.64368(2) 0.79485(2) 0.01973(9) Uani 1 1 d . . . .
S1 S 0.03283(7) 0.60031(7) 0.74321(6) 0.0279(2) Uani 1 1 d D . . .
S2 S 0.77288(9) 0.18191(9) 0.77221(6) 0.0356(2) Uani 1 1 d . . . .
S3 S 0.35878(8) 0.00684(8) 0.55250(6) 0.0306(2) Uani 1 1 d . . . .
F4 F 0.9772(2) 0.2819(3) 0.83600(19) 0.0571(8) Uani 1 1 d . . . .
F5 F 0.8844(2) 0.3220(2) 0.92131(15) 0.0445(6) Uani 1 1 d . . . .
F6 F 0.8682(2) 0.3859(2) 0.82755(19) 0.0541(7) Uani 1 1 d . . . .
F7 F 0.2526(2) 0.15828(19) 0.55918(17) 0.0410(6) Uani 1 1 d . . . .
F8 F 0.2005(2) 0.0527(2) 0.61439(17) 0.0434(6) Uani 1 1 d . . . .
F9 F 0.1557(2) -0.0004(2) 0.48138(17) 0.0453(6) Uani 1 1 d . . . .
O1 O 0.1507(2) 0.6349(2) 0.78569(16) 0.0276(6) Uani 1 1 d . . . .
O2 O -0.0009(3) 0.6335(3) 0.6772(2) 0.0520(9) Uani 1 1 d . . . .
O3 O -0.0122(2) 0.4924(2) 0.7285(2) 0.0478(8) Uani 1 1 d . . . .
O4 O 0.7924(3) 0.1616(3) 0.69312(19) 0.0448(8) Uani 1 1 d . . . .
O5 O 0.7927(3) 0.1044(3) 0.8065(2) 0.0496(8) Uani 1 1 d . . . .
O6 O 0.6737(3) 0.2187(3) 0.7759(2) 0.0460(8) Uani 1 1 d . . . .
O7 O 0.4349(2) 0.0800(2) 0.63193(19) 0.0378(7) Uani 1 1 d . . . .
O8 O 0.3842(3) 0.0173(2) 0.4817(2) 0.0397(7) Uani 1 1 d . . . .
O9 O 0.3280(2) -0.1019(2) 0.5445(2) 0.0382(7) Uani 1 1 d . . . .
N1 N 0.2851(2) 0.5595(2) 0.65822(18) 0.0232(6) Uani 1 1 d . . . .
N2 N 0.4646(2) 0.6343(2) 0.67843(18) 0.0226(6) Uani 1 1 d . . . .
N3 N 0.3377(2) 0.7797(2) 0.77748(18) 0.0234(6) Uani 1 1 d . . . .
N4 N 0.5223(2) 0.8036(2) 0.83549(18) 0.0229(6) Uani 1 1 d . . . .
N5 N 0.3703(2) 0.7035(2) 0.91538(18) 0.0220(6) Uani 1 1 d . . . .
N6 N 0.5341(2) 0.6559(2) 0.91174(18) 0.0210(6) Uani 1 1 d . . . .
N7 N 0.3134(2) 0.4820(2) 0.79023(18) 0.0218(6) Uani 1 1 d . . . .
N8 N 0.4732(2) 0.4834(2) 0.75428(18) 0.0215(6) Uani 1 1 d . . . .
C1 C 0.1863(3) 0.4976(3) 0.6068(2) 0.0266(8) Uani 1 1 d . . . .
H1 H 0.1340 0.4769 0.6304 0.032 Uiso 1 1 calc R . . .
C2 C 0.1589(3) 0.4639(3) 0.5229(2) 0.0300(8) Uani 1 1 d . . . .
H2 H 0.0889 0.4208 0.4888 0.036 Uiso 1 1 calc R . . .
C3 C 0.2352(3) 0.4936(3) 0.4878(2) 0.0291(8) Uani 1 1 d . . . .
H3 H 0.2163 0.4736 0.4295 0.035 Uiso 1 1 calc R . . .
C4 C 0.3381(3) 0.5520(3) 0.5376(2) 0.0273(8) Uani 1 1 d . . . .
H4 H 0.3915 0.5704 0.5141 0.033 Uiso 1 1 calc R . . .
C5 C 0.3631(3) 0.5841(3) 0.6246(2) 0.0223(7) Uani 1 1 d . . . .
C6 C 0.5396(3) 0.6964(3) 0.6567(2) 0.0230(7) Uani 1 1 d . . . .
C7 C 0.5118(3) 0.7870(3) 0.6443(2) 0.0265(8) Uani 1 1 d . . . .
H7 H 0.4412 0.7999 0.6423 0.032 Uiso 1 1 calc R . . .
C8 C 0.5895(3) 0.8571(3) 0.6350(2) 0.0315(9) Uani 1 1 d . . . .
H8 H 0.5728 0.9199 0.6288 0.038 Uiso 1 1 calc R . . .
C9 C 0.6909(3) 0.8360(3) 0.6346(2) 0.0330(9) Uani 1 1 d . . . .
H9 H 0.7429 0.8836 0.6271 0.040 Uiso 1 1 calc R . . .
C10 C 0.7172(3) 0.7453(3) 0.6452(3) 0.0333(9) Uani 1 1 d . . . .
H10 H 0.7867 0.7307 0.6447 0.040 Uiso 1 1 calc R . . .
C11 C 0.6409(3) 0.6760(3) 0.6567(2) 0.0291(8) Uani 1 1 d . . . .
H11 H 0.6587 0.6143 0.6644 0.035 Uiso 1 1 calc R . . .
C12 C 0.2534(3) 0.8115(3) 0.7382(2) 0.0269(8) Uani 1 1 d . . . .
H12 H 0.1833 0.7647 0.7143 0.032 Uiso 1 1 calc R . . .
C13 C 0.2662(3) 0.9089(3) 0.7319(3) 0.0312(8) Uani 1 1 d . . . .
H13 H 0.2066 0.9277 0.7020 0.037 Uiso 1 1 calc R . . .
C14 C 0.3678(3) 0.9797(3) 0.7699(3) 0.0324(9) Uani 1 1 d . . . .
H14 H 0.3775 1.0482 0.7675 0.039 Uiso 1 1 calc R . . .
C15 C 0.4532(3) 0.9502(3) 0.8106(2) 0.0294(8) Uani 1 1 d . . . .
H15 H 0.5218 0.9993 0.8390 0.035 Uiso 1 1 calc R . . .
C16 C 0.4391(3) 0.8467(3) 0.8103(2) 0.0225(7) Uani 1 1 d . . . .
C17 C 0.6243(3) 0.8742(3) 0.8905(2) 0.0251(8) Uani 1 1 d . . . .
C18 C 0.7147(3) 0.8828(3) 0.8635(3) 0.0328(9) Uani 1 1 d . . . .
H18 H 0.7086 0.8456 0.8068 0.039 Uiso 1 1 calc R . . .
C19 C 0.8142(3) 0.9457(3) 0.9190(3) 0.0383(10) Uani 1 1 d . . . .
H19 H 0.8759 0.9522 0.9002 0.046 Uiso 1 1 calc R . . .
C20 C 0.8238(3) 0.9989(3) 1.0018(3) 0.0390(10) Uani 1 1 d . . . .
H20 H 0.8925 1.0404 1.0400 0.047 Uiso 1 1 calc R . . .
C21 C 0.7334(3) 0.9919(3) 1.0292(3) 0.0350(9) Uani 1 1 d . . . .
H21 H 0.7403 1.0291 1.0861 0.042 Uiso 1 1 calc R . . .
C22 C 0.6328(3) 0.9306(3) 0.9739(2) 0.0281(8) Uani 1 1 d . . . .
H22 H 0.5705 0.9269 0.9924 0.034 Uiso 1 1 calc R . . .
C23 C 0.3065(3) 0.7535(3) 0.9586(2) 0.0230(7) Uani 1 1 d . . . .
H23 H 0.2398 0.7625 0.9289 0.028 Uiso 1 1 calc R . . .
C24 C 0.3341(3) 0.7915(3) 1.0433(2) 0.0268(8) Uani 1 1 d . . . .
H24 H 0.2879 0.8270 1.0716 0.032 Uiso 1 1 calc R . . .
C25 C 0.4314(3) 0.7770(3) 1.0873(2) 0.0251(8) Uani 1 1 d . . . .
H25 H 0.4507 0.7999 1.1458 0.030 Uiso 1 1 calc R . . .
C26 C 0.4992(3) 0.7291(3) 1.0448(2) 0.0238(7) Uani 1 1 d . . . .
H26 H 0.5657 0.7193 1.0740 0.029 Uiso 1 1 calc R . . .
C27 C 0.4693(3) 0.6949(3) 0.9580(2) 0.0221(7) Uani 1 1 d . . . .
C28 C 0.6313(3) 0.6270(3) 0.9462(2) 0.0218(7) Uani 1 1 d . . . .
C29 C 0.7325(3) 0.6924(3) 0.9671(2) 0.0289(8) Uani 1 1 d . . . .
H29 H 0.7378 0.7603 0.9636 0.035 Uiso 1 1 calc R . . .
C30 C 0.8270(3) 0.6586(3) 0.9931(2) 0.0300(8) Uani 1 1 d . . . .
H30 H 0.8963 0.7041 1.0083 0.036 Uiso 1 1 calc R . . .
C31 C 0.8198(3) 0.5597(3) 0.9970(2) 0.0309(8) Uani 1 1 d . . . .
H31 H 0.8840 0.5359 1.0132 0.037 Uiso 1 1 calc R . . .
C32 C 0.7177(3) 0.4946(3) 0.9769(3) 0.0342(9) Uani 1 1 d . . . .
H32 H 0.7124 0.4269 0.9806 0.041 Uiso 1 1 calc R . . .
C33 C 0.6237(3) 0.5281(3) 0.9516(2) 0.0297(8) Uani 1 1 d . . . .
H33 H 0.5544 0.4834 0.9379 0.036 Uiso 1 1 calc R . . .
C34 C 0.2322(3) 0.4337(3) 0.8091(2) 0.0244(7) Uani 1 1 d . . . .
H34 H 0.1805 0.4727 0.8262 0.029 Uiso 1 1 calc R . . .
C35 C 0.2214(3) 0.3306(3) 0.8045(2) 0.0291(8) Uani 1 1 d . . . .
H35 H 0.1640 0.2992 0.8188 0.035 Uiso 1 1 calc R . . .
C36 C 0.2964(3) 0.2731(3) 0.7785(2) 0.0273(8) Uani 1 1 d . . . .
H36 H 0.2896 0.2011 0.7736 0.033 Uiso 1 1 calc R . . .
C37 C 0.3806(3) 0.3208(3) 0.7600(2) 0.0252(7) Uani 1 1 d . . . .
H37 H 0.4326 0.2824 0.7428 0.030 Uiso 1 1 calc R . . .
C38 C 0.3891(3) 0.4267(3) 0.7666(2) 0.0218(7) Uani 1 1 d . . . .
C39 C 0.5337(3) 0.4282(3) 0.7049(2) 0.0223(7) Uani 1 1 d . . . .
C40 C 0.6475(3) 0.4575(3) 0.7326(2) 0.0268(8) Uani 1 1 d . . . .
H40 H 0.6841 0.5103 0.7866 0.032 Uiso 1 1 calc R . . .
C41 C 0.7071(3) 0.4096(3) 0.6814(3) 0.0301(8) Uani 1 1 d . . . .
H41 H 0.7844 0.4297 0.7005 0.036 Uiso 1 1 calc R . . .
C42 C 0.6538(3) 0.3321(3) 0.6019(3) 0.0308(8) Uani 1 1 d . . . .
H42 H 0.6944 0.3002 0.5664 0.037 Uiso 1 1 calc R . A .
C43 C 0.5408(3) 0.3021(3) 0.5752(2) 0.0292(8) Uani 1 1 d . . . .
H43 H 0.5042 0.2480 0.5217 0.035 Uiso 1 1 calc R . B .
C44 C 0.4808(3) 0.3501(3) 0.6258(2) 0.0252(8) Uani 1 1 d . . . .
H44 H 0.4035 0.3296 0.6065 0.030 Uiso 1 1 calc R . . .
C46 C 0.8799(3) 0.2985(4) 0.8425(3) 0.0374(9) Uani 1 1 d . . . .
C47 C 0.2352(3) 0.0575(3) 0.5521(3) 0.0323(9) Uani 1 1 d . . . .
Ag1 Ag 0.60132(3) 0.15478(2) 0.61481(2) 0.03085(12) Uani 0.9632(10) 1 d . P C 2
Ag1A Ag 0.6433(8) 0.1544(6) 0.6527(7) 0.03085(12) Uani 0.0368(10) 1 d . P C 3
F1 F -0.1285(5) 0.6644(6) 0.7937(5) 0.0500(17) Uani 0.705(12) 1 d D P D 4
F2 F 0.0151(5) 0.7899(5) 0.8316(5) 0.066(2) Uani 0.705(12) 1 d D P D 4
F3 F 0.0129(6) 0.6768(8) 0.8907(4) 0.070(2) Uani 0.705(12) 1 d D P D 4
C45 C -0.0200(6) 0.6885(6) 0.8201(4) 0.040(2) Uani 0.705(12) 1 d D P D 4
F1A F -0.1215(13) 0.6396(17) 0.8113(14) 0.0500(17) Uani 0.295(12) 1 d D P D 5
F2A F 0.0204(14) 0.7681(12) 0.8649(12) 0.066(2) Uani 0.295(12) 1 d D P D 5
F3A F 0.0224(17) 0.632(2) 0.8936(11) 0.070(2) Uani 0.295(12) 1 d D P D 5
C45A C -0.0137(14) 0.6623(13) 0.8326(10) 0.040(2) Uani 0.295(12) 1 d D P D 5
Cl1 Cl 0.09045(11) 0.07039(11) 0.81224(8) 0.0568(3) Uani 1 1 d . . . .
Cl2 Cl -0.01994(10) -0.10640(11) 0.65003(10) 0.0622(4) Uani 1 1 d . . . .
C48 C -0.0168(5) 0.0237(4) 0.7174(4) 0.0614(15) Uani 1 1 d . . . .
H48A H -0.0871 0.0244 0.7295 0.074 Uiso 1 1 calc R . . .
H48B H -0.0083 0.0731 0.6894 0.074 Uiso 1 1 calc R . . .
Cl3 Cl -0.10573(10) 0.29964(13) 0.50017(11) 0.0691(4) Uani 1 1 d . . . .
Cl4 Cl 0.04172(10) 0.22388(11) 0.60410(9) 0.0578(3) Uani 1 1 d . . . .
C49 C -0.0848(4) 0.2589(4) 0.5833(3) 0.0427(11) Uani 1 1 d . . . .
H49A H -0.1437 0.1967 0.5700 0.051 Uiso 1 1 calc R . . .
H49B H -0.0877 0.3176 0.6333 0.051 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 0.0181 0.0091 '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'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
O1 Ru1 Ru2 175.00(7) . .
N1 Ru1 Ru2 87.62(8) . .
N1 Ru1 O1 96.03(11) . .
N1 Ru1 N3 88.96(12) . .
N1 Ru1 N5 174.75(12) . .
N3 Ru1 Ru2 87.19(8) . .
N3 Ru1 O1 89.45(11) . .
N3 Ru1 N5 91.62(11) . .
N5 Ru1 Ru2 87.20(8) . .
N5 Ru1 O1 89.19(11) . .
N7 Ru1 Ru2 88.53(8) . .
N7 Ru1 O1 94.96(11) . .
N7 Ru1 N1 88.68(12) . .
N7 Ru1 N3 175.20(12) . .
N7 Ru1 N5 90.35(11) . .
N2 Ru2 Ru1 89.41(9) . .
N2 Ru2 N4 89.36(12) . .
N2 Ru2 N8 90.76(12) . .
N4 Ru2 Ru1 89.33(9) . .
N4 Ru2 N8 178.54(12) . .
N6 Ru2 Ru1 90.18(8) . .
N6 Ru2 N2 178.86(12) . .
N6 Ru2 N4 89.57(12) . .
N6 Ru2 N8 90.30(12) . .
N8 Ru2 Ru1 89.22(8) . .
O1 S1 C45 101.5(3) . .
O1 S1 C45A 98.3(6) . .
O2 S1 O1 113.60(19) . .
O2 S1 O3 117.1(2) . .
O2 S1 C45 100.6(3) . .
O2 S1 C45A 115.4(6) . .
O3 S1 O1 113.72(18) . .
O3 S1 C45 108.0(3) . .
O3 S1 C45A 96.0(6) . .
O4 S2 C46 102.9(2) . .
O4 S2 Ag1A 55.3(3) . .
O5 S2 O4 116.1(2) . .
O5 S2 O6 115.9(2) . .
O5 S2 C46 103.1(2) . .
O5 S2 Ag1A 126.2(3) . .
O6 S2 O4 112.7(2) . .
O6 S2 C46 103.8(2) . .
O6 S2 Ag1A 60.4(3) . .
C46 S2 Ag1A 130.6(3) . .
O7 S3 C47 102.60(19) . .
O8 S3 O7 114.07(19) . .
O8 S3 C47 103.22(19) . .
O9 S3 O7 115.30(18) . .
O9 S3 O8 114.69(19) . .
O9 S3 C47 104.81(18) . .
S1 O1 Ru1 151.07(17) . .
S2 O4 Ag1 96.13(16) . .
S2 O4 Ag1A 85.3(4) . .
S2 O6 Ag1A 80.7(3) . .
S3 O7 Ag1 110.93(17) . .
S3 O8 Ag1 110.99(17) . 2_656
C1 N1 Ru1 123.3(3) . .
C1 N1 C5 118.9(3) . .
C5 N1 Ru1 117.4(2) . .
C5 N2 Ru2 119.9(2) . .
C5 N2 C6 119.9(3) . .
C6 N2 Ru2 119.3(2) . .
C12 N3 Ru1 122.7(2) . .
C12 N3 C16 118.6(3) . .
C16 N3 Ru1 118.7(2) . .
C16 N4 Ru2 119.3(2) . .
C16 N4 C17 118.5(3) . .
C17 N4 Ru2 122.2(2) . .
C23 N5 Ru1 122.5(2) . .
C23 N5 C27 119.0(3) . .
C27 N5 Ru1 118.5(2) . .
C27 N6 Ru2 120.4(2) . .
C27 N6 C28 121.2(3) . .
C28 N6 Ru2 118.4(2) . .
C34 N7 Ru1 122.4(2) . .
C34 N7 C38 118.9(3) . .
C38 N7 Ru1 118.5(2) . .
C38 N8 Ru2 120.4(2) . .
C38 N8 C39 119.6(3) . .
C39 N8 Ru2 119.6(2) . .
N1 C1 H1 118.6 . .
N1 C1 C2 122.8(3) . .
C2 C1 H1 118.6 . .
C1 C2 H2 120.5 . .
C1 C2 C3 119.0(3) . .
C3 C2 H2 120.5 . .
C2 C3 H3 120.1 . .
C4 C3 C2 119.9(3) . .
C4 C3 H3 120.1 . .
C3 C4 H4 120.5 . .
C3 C4 C5 119.0(3) . .
C5 C4 H4 120.5 . .
N1 C5 C4 120.2(3) . .
N2 C5 N1 116.3(3) . .
N2 C5 C4 123.4(3) . .
C7 C6 N2 118.0(3) . .
C11 C6 N2 121.4(3) . .
C11 C6 C7 120.3(3) . .
C6 C7 H7 120.5 . .
C8 C7 C6 119.0(4) . .
C8 C7 H7 120.5 . .
C7 C8 H8 119.8 . .
C9 C8 C7 120.5(4) . .
C9 C8 H8 119.8 . .
C8 C9 H9 119.8 . .
C8 C9 C10 120.3(4) . .
C10 C9 H9 119.8 . .
C9 C10 H10 120.2 . .
C11 C10 C9 119.7(4) . .
C11 C10 H10 120.2 . .
C6 C11 C10 120.2(4) . .
C6 C11 H11 119.9 . .
C10 C11 H11 119.9 . .
N3 C12 H12 118.9 . .
N3 C12 C13 122.2(3) . .
C13 C12 H12 118.9 . .
C12 C13 H13 120.4 . .
C12 C13 C14 119.1(4) . .
C14 C13 H13 120.4 . .
C13 C14 H14 120.2 . .
C15 C14 C13 119.7(4) . .
C15 C14 H14 120.2 . .
C14 C15 H15 120.2 . .
C14 C15 C16 119.6(4) . .
C16 C15 H15 120.2 . .
N3 C16 C15 120.4(3) . .
N4 C16 N3 115.6(3) . .
N4 C16 C15 123.7(3) . .
C18 C17 N4 121.2(3) . .
C18 C17 C22 120.0(3) . .
C22 C17 N4 118.7(3) . .
C17 C18 H18 119.9 . .
C17 C18 C19 120.1(4) . .
C19 C18 H18 119.9 . .
C18 C19 H19 119.9 . .
C20 C19 C18 120.1(4) . .
C20 C19 H19 119.9 . .
C19 C20 H20 119.9 . .
C19 C20 C21 120.2(4) . .
C21 C20 H20 119.9 . .
C20 C21 H21 119.9 . .
C20 C21 C22 120.3(4) . .
C22 C21 H21 119.9 . .
C17 C22 H22 120.4 . .
C21 C22 C17 119.3(4) . .
C21 C22 H22 120.4 . .
N5 C23 H23 118.6 . .
N5 C23 C24 122.9(3) . .
C24 C23 H23 118.6 . .
C23 C24 H24 120.6 . .
C23 C24 C25 118.8(4) . .
C25 C24 H24 120.6 . .
C24 C25 H25 120.3 . .
C26 C25 C24 119.4(3) . .
C26 C25 H25 120.3 . .
C25 C26 H26 120.1 . .
C25 C26 C27 119.8(3) . .
C27 C26 H26 120.1 . .
N5 C27 C26 120.0(3) . .
N6 C27 N5 115.8(3) . .
N6 C27 C26 124.2(3) . .
C29 C28 N6 120.6(3) . .
C29 C28 C33 119.9(3) . .
C33 C28 N6 119.3(3) . .
C28 C29 H29 120.0 . .
C28 C29 C30 120.0(4) . .
C30 C29 H29 120.0 . .
C29 C30 H30 119.9 . .
C31 C30 C29 120.2(4) . .
C31 C30 H30 119.9 . .
C30 C31 H31 120.2 . .
C30 C31 C32 119.6(4) . .
C32 C31 H31 120.2 . .
C31 C32 H32 119.8 . .
C33 C32 C31 120.4(4) . .
C33 C32 H32 119.8 . .
C28 C33 H33 120.1 . .
C32 C33 C28 119.8(4) . .
C32 C33 H33 120.1 . .
N7 C34 H34 118.7 . .
N7 C34 C35 122.7(3) . .
C35 C34 H34 118.7 . .
C34 C35 H35 120.7 . .
C34 C35 C36 118.7(3) . .
C36 C35 H35 120.6 . .
C35 C36 H36 120.1 . .
C37 C36 C35 119.7(3) . .
C37 C36 H36 120.1 . .
C36 C37 H37 120.2 . .
C36 C37 C38 119.6(4) . .
C38 C37 H37 120.2 . .
N7 C38 N8 115.5(3) . .
N7 C38 C37 120.4(3) . .
N8 C38 C37 124.1(3) . .
C40 C39 N8 120.0(3) . .
C44 C39 N8 120.4(3) . .
C44 C39 C40 119.4(4) . .
C39 C40 H40 119.9 . .
C41 C40 C39 120.2(4) . .
C41 C40 H40 119.9 . .
C40 C41 H41 119.9 . .
C40 C41 C42 120.2(4) . .
C42 C41 H41 119.9 . .
C41 C42 H42 120.4 . .
C41 C42 Ag1 107.9(3) . .
C43 C42 C41 119.3(4) . .
C43 C42 H42 120.4 . .
C43 C42 Ag1 72.7(2) . .
Ag1 C42 H42 89.4 . .
C42 C43 H43 119.6 . .
C42 C43 Ag1 75.4(2) . .
C44 C43 C42 120.8(4) . .
C44 C43 H43 119.6 . .
C44 C43 Ag1 108.3(3) . .
Ag1 C43 H43 86.4 . .
C39 C44 H44 120.0 . .
C43 C44 C39 120.1(4) . .
C43 C44 H44 120.0 . .
F4 C46 S2 110.7(3) . .
F4 C46 F6 106.7(4) . .
F5 C46 S2 112.0(3) . .
F5 C46 F4 107.0(3) . .
F5 C46 F6 107.1(4) . .
F6 C46 S2 112.9(3) . .
F7 C47 S3 111.0(3) . .
F7 C47 F8 108.7(3) . .
F7 C47 F9 107.8(3) . .
F8 C47 S3 110.6(3) . .
F8 C47 F9 108.0(3) . .
F9 C47 S3 110.7(3) . .
O4 Ag1 C42 93.93(13) . .
O4 Ag1 C43 125.25(12) . .
O7 Ag1 O4 126.76(10) . .
O7 Ag1 O8 93.98(10) . 2_656
O7 Ag1 C42 128.64(12) . .
O7 Ag1 C43 99.09(12) . .
O8 Ag1 O4 83.62(11) 2_656 .
O8 Ag1 C42 123.64(12) 2_656 .
O8 Ag1 C43 125.49(11) 2_656 .
C43 Ag1 C42 31.81(13) . .
O4 Ag1A S2 39.4(3) . .
O4 Ag1A O6 76.8(5) . .
O6 Ag1A S2 38.9(2) . .
F1 C45 S1 110.1(5) . .
F1 C45 F2 108.6(6) . .
F2 C45 S1 109.6(5) . .
F3 C45 S1 109.9(4) . .
F3 C45 F1 108.7(7) . .
F3 C45 F2 109.9(7) . .
F1A C45A S1 110.8(14) . .
F1A C45A F2A 107.8(16) . .
F2A C45A S1 111.5(13) . .
F3A C45A S1 113.4(12) . .
F3A C45A F1A 107.5(16) . .
F3A C45A F2A 105.5(16) . .
Cl1 C48 H48A 109.0 . .
Cl1 C48 H48B 109.0 . .
Cl2 C48 Cl1 112.9(3) . .
Cl2 C48 H48A 109.0 . .
Cl2 C48 H48B 109.0 . .
H48A C48 H48B 107.8 . .
Cl3 C49 Cl4 111.1(3) . .
Cl3 C49 H49A 109.4 . .
Cl3 C49 H49B 109.4 . .
Cl4 C49 H49A 109.4 . .
Cl4 C49 H49B 109.4 . .
H49A C49 H49B 108.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 Ru2 2.2798(4) .
Ru1 O1 2.206(3) .
Ru1 N1 2.076(3) .
Ru1 N3 2.076(3) .
Ru1 N5 2.090(3) .
Ru1 N7 2.076(3) .
Ru2 N2 1.999(3) .
Ru2 N4 2.012(3) .
Ru2 N6 1.995(3) .
Ru2 N8 2.013(3) .
S1 O1 1.471(3) .
S1 O2 1.414(3) .
S1 O3 1.429(3) .
S1 C45 1.830(6) .
S1 C45A 1.826(15) .
S2 O4 1.450(3) .
S2 O5 1.426(4) .
S2 O6 1.447(4) .
S2 C46 1.815(5) .
S2 Ag1A 2.274(13) .
S3 O7 1.454(3) .
S3 O8 1.447(3) .
S3 O9 1.443(3) .
S3 C47 1.824(4) .
F4 C46 1.336(5) .
F5 C46 1.331(5) .
F6 C46 1.337(5) .
F7 C47 1.329(5) .
F8 C47 1.329(5) .
F9 C47 1.337(5) .
O4 Ag1 2.516(3) .
O4 Ag1A 1.875(11) .
O6 Ag1A 2.003(12) .
O7 Ag1 2.416(3) .
O8 Ag1 2.456(3) 2_656
N1 C1 1.357(5) .
N1 C5 1.368(5) .
N2 C5 1.361(5) .
N2 C6 1.431(4) .
N3 C12 1.361(5) .
N3 C16 1.372(5) .
N4 C16 1.352(5) .
N4 C17 1.436(5) .
N5 C23 1.357(5) .
N5 C27 1.372(5) .
N6 C27 1.352(5) .
N6 C28 1.434(4) .
N7 C34 1.355(5) .
N7 C38 1.371(5) .
N8 C38 1.373(5) .
N8 C39 1.413(5) .
C1 H1 0.9500 .
C1 C2 1.361(5) .
C2 H2 0.9500 .
C2 C3 1.393(5) .
C3 H3 0.9500 .
C3 C4 1.377(5) .
C4 H4 0.9500 .
C4 C5 1.417(5) .
C6 C7 1.409(5) .
C6 C11 1.379(5) .
C7 H7 0.9500 .
C7 C8 1.390(5) .
C8 H8 0.9500 .
C8 C9 1.383(6) .
C9 H9 0.9500 .
C9 C10 1.393(6) .
C10 H10 0.9500 .
C10 C11 1.392(5) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C12 C13 1.375(6) .
C13 H13 0.9500 .
C13 C14 1.395(6) .
C14 H14 0.9500 .
C14 C15 1.363(6) .
C15 H15 0.9500 .
C15 C16 1.408(5) .
C17 C18 1.385(6) .
C17 C22 1.404(5) .
C18 H18 0.9500 .
C18 C19 1.386(6) .
C19 H19 0.9500 .
C19 C20 1.383(7) .
C20 H20 0.9500 .
C20 C21 1.387(7) .
C21 H21 0.9500 .
C21 C22 1.389(6) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C23 C24 1.370(5) .
C24 H24 0.9500 .
C24 C25 1.399(5) .
C25 H25 0.9500 .
C25 C26 1.381(6) .
C26 H26 0.9500 .
C26 C27 1.408(5) .
C28 C29 1.385(5) .
C28 C33 1.388(5) .
C29 H29 0.9500 .
C29 C30 1.398(5) .
C30 H30 0.9500 .
C30 C31 1.376(6) .
C31 H31 0.9500 .
C31 C32 1.394(6) .
C32 H32 0.9500 .
C32 C33 1.386(6) .
C33 H33 0.9500 .
C34 H34 0.9500 .
C34 C35 1.375(5) .
C35 H35 0.9500 .
C35 C36 1.392(6) .
C36 H36 0.9500 .
C36 C37 1.378(5) .
C37 H37 0.9500 .
C37 C38 1.403(5) .
C39 C40 1.398(5) .
C39 C44 1.393(5) .
C40 H40 0.9500 .
C40 C41 1.390(6) .
C41 H41 0.9500 .
C41 C42 1.396(6) .
C42 H42 0.9500 .
C42 C43 1.390(6) .
C42 Ag1 2.552(4) .
C43 H43 0.9500 .
C43 C44 1.387(6) .
C43 Ag1 2.518(4) .
C44 H44 0.9500 .
Ag1 O8 2.456(3) 2_656
F1 C45 1.333(7) .
F2 C45 1.335(8) .
F3 C45 1.318(8) .
F1A C45A 1.325(14) .
F2A C45A 1.329(14) .
F3A C45A 1.315(14) .
Cl1 C48 1.776(6) .
Cl2 C48 1.761(6) .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
Cl3 C49 1.755(5) .
Cl4 C49 1.758(5) .
C49 H49A 0.9900 .
C49 H49B 0.9900 .
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_4
Ru1 N1 C1 C2 169.8(3) .
Ru1 N1 C5 N2 14.3(4) .
Ru1 N1 C5 C4 -169.5(3) .
Ru1 N3 C12 C13 -179.0(3) .
Ru1 N3 C16 N4 8.9(4) .
Ru1 N3 C16 C15 -175.9(3) .
Ru1 N5 C23 C24 173.4(3) .
Ru1 N5 C27 N6 10.8(4) .
Ru1 N5 C27 C26 -171.3(2) .
Ru1 N7 C34 C35 173.7(3) .
Ru1 N7 C38 N8 9.6(4) .
Ru1 N7 C38 C37 -173.1(3) .
Ru2 N2 C5 N1 11.3(4) .
Ru2 N2 C5 C4 -164.8(3) .
Ru2 N2 C6 C7 -105.9(3) .
Ru2 N2 C6 C11 67.2(4) .
Ru2 N4 C16 N3 17.3(4) .
Ru2 N4 C16 C15 -157.8(3) .
Ru2 N4 C17 C18 70.8(4) .
Ru2 N4 C17 C22 -105.8(3) .
Ru2 N6 C27 N5 12.9(4) .
Ru2 N6 C27 C26 -164.9(3) .
Ru2 N6 C28 C29 73.1(4) .
Ru2 N6 C28 C33 -101.1(4) .
Ru2 N8 C38 N7 13.9(4) .
Ru2 N8 C38 C37 -163.2(3) .
Ru2 N8 C39 C40 53.6(4) .
Ru2 N8 C39 C44 -121.4(3) .
S2 O4 Ag1A O6 13.3(2) .
O1 S1 C45 F1 -176.7(4) .
O1 S1 C45 F2 64.0(5) .
O1 S1 C45 F3 -56.9(6) .
O1 S1 C45A F1A -177.7(11) .
O1 S1 C45A F2A 62.2(12) .
O1 S1 C45A F3A -56.7(17) .
O2 S1 O1 Ru1 -64.3(4) .
O2 S1 C45 F1 66.4(5) .
O2 S1 C45 F2 -53.0(5) .
O2 S1 C45 F3 -173.9(6) .
O2 S1 C45A F1A 61.2(13) .
O2 S1 C45A F2A -58.9(13) .
O2 S1 C45A F3A -177.8(15) .
O3 S1 O1 Ru1 72.9(4) .
O3 S1 C45 F1 -56.8(5) .
O3 S1 C45 F2 -176.2(4) .
O3 S1 C45 F3 62.9(7) .
O3 S1 C45A F1A -62.6(12) .
O3 S1 C45A F2A 177.3(12) .
O3 S1 C45A F3A 58.4(17) .
O4 S2 O6 Ag1A 18.5(3) .
O4 S2 C46 F4 -52.6(4) .
O4 S2 C46 F5 -172.0(3) .
O4 S2 C46 F6 67.0(4) .
O5 S2 O4 Ag1 120.2(2) .
O5 S2 O4 Ag1A 117.5(3) .
O5 S2 O6 Ag1A -118.7(3) .
O5 S2 C46 F4 68.5(3) .
O5 S2 C46 F5 -50.9(4) .
O5 S2 C46 F6 -172.0(3) .
O6 S2 O4 Ag1 -16.9(2) .
O6 S2 O4 Ag1A -19.6(3) .
O6 S2 C46 F4 -170.3(3) .
O6 S2 C46 F5 70.4(3) .
O6 S2 C46 F6 -50.7(4) .
O7 S3 O8 Ag1 125.24(18) 2_656
O7 S3 C47 F7 59.2(3) .
O7 S3 C47 F8 -61.5(3) .
O7 S3 C47 F9 178.8(3) .
O8 S3 O7 Ag1 -16.4(2) .
O8 S3 C47 F7 -59.6(3) .
O8 S3 C47 F8 179.7(3) .
O8 S3 C47 F9 60.0(3) .
O9 S3 O7 Ag1 119.42(18) .
O9 S3 O8 Ag1 -10.9(2) 2_656
O9 S3 C47 F7 180.0(3) .
O9 S3 C47 F8 59.3(3) .
O9 S3 C47 F9 -60.4(3) .
N1 C1 C2 C3 0.2(6) .
N2 C6 C7 C8 170.8(3) .
N2 C6 C11 C10 -172.2(3) .
N3 C12 C13 C14 -2.8(6) .
N4 C17 C18 C19 -175.4(4) .
N4 C17 C22 C21 174.5(3) .
N5 C23 C24 C25 -0.9(5) .
N6 C28 C29 C30 -173.9(4) .
N6 C28 C33 C32 173.5(4) .
N7 C34 C35 C36 -0.7(6) .
N8 C39 C40 C41 -174.6(3) .
N8 C39 C44 C43 175.0(3) .
C1 N1 C5 N2 -171.7(3) .
C1 N1 C5 C4 4.6(5) .
C1 C2 C3 C4 3.0(6) .
C2 C3 C4 C5 -2.3(6) .
C3 C4 C5 N1 -1.5(5) .
C3 C4 C5 N2 174.4(4) .
C5 N1 C1 C2 -4.0(6) .
C5 N2 C6 C7 62.9(4) .
C5 N2 C6 C11 -124.0(4) .
C6 N2 C5 N1 -157.5(3) .
C6 N2 C5 C4 26.4(5) .
C6 C7 C8 C9 2.6(6) .
C7 C6 C11 C10 0.8(6) .
C7 C8 C9 C10 -1.3(6) .
C8 C9 C10 C11 -0.3(6) .
C9 C10 C11 C6 0.6(6) .
C11 C6 C7 C8 -2.3(5) .
C12 N3 C16 N4 -168.9(3) .
C12 N3 C16 C15 6.3(5) .
C12 C13 C14 C15 1.8(6) .
C13 C14 C15 C16 3.1(6) .
C14 C15 C16 N3 -7.3(6) .
C14 C15 C16 N4 167.5(4) .
C16 N3 C12 C13 -1.3(6) .
C16 N4 C17 C18 -109.1(4) .
C16 N4 C17 C22 74.4(4) .
C17 N4 C16 N3 -162.9(3) .
C17 N4 C16 C15 22.1(5) .
C17 C18 C19 C20 0.8(7) .
C18 C17 C22 C21 -2.1(6) .
C18 C19 C20 C21 -1.7(7) .
C19 C20 C21 C22 0.6(6) .
C20 C21 C22 C17 1.3(6) .
C22 C17 C18 C19 1.1(6) .
C23 N5 C27 N6 -172.4(3) .
C23 N5 C27 C26 5.5(5) .
C23 C24 C25 C26 2.7(5) .
C24 C25 C26 C27 -0.4(5) .
C25 C26 C27 N5 -3.8(5) .
C25 C26 C27 N6 174.0(3) .
C27 N5 C23 C24 -3.3(5) .
C27 N6 C28 C29 -104.1(4) .
C27 N6 C28 C33 81.7(4) .
C28 N6 C27 N5 -169.9(3) .
C28 N6 C27 C26 12.3(5) .
C28 C29 C30 C31 1.0(6) .
C29 C28 C33 C32 -0.8(6) .
C29 C30 C31 C32 -1.8(6) .
C30 C31 C32 C33 1.3(6) .
C31 C32 C33 C28 0.0(6) .
C33 C28 C29 C30 0.3(6) .
C34 N7 C38 N8 -175.5(3) .
C34 N7 C38 C37 1.7(5) .
C34 C35 C36 C37 1.5(6) .
C35 C36 C37 C38 -0.7(5) .
C36 C37 C38 N7 -0.9(5) .
C36 C37 C38 N8 176.0(3) .
C38 N7 C34 C35 -0.9(5) .
C38 N8 C39 C40 -133.3(4) .
C38 N8 C39 C44 51.6(5) .
C39 N8 C38 N7 -159.1(3) .
C39 N8 C38 C37 23.8(5) .
C39 C40 C41 C42 0.1(6) .
C40 C39 C44 C43 -0.1(5) .
C40 C41 C42 C43 -1.2(6) .
C40 C41 C42 Ag1 -81.0(4) .
C41 C42 C43 C44 1.6(6) .
C41 C42 C43 Ag1 -101.2(4) .
C42 C43 C44 C39 -1.0(6) .
C44 C39 C40 C41 0.5(6) .
C46 S2 O4 Ag1 -128.05(17) .
C46 S2 O4 Ag1A -130.8(3) .
C46 S2 O6 Ag1A 129.1(3) .
C47 S3 O7 Ag1 -127.29(18) .
C47 S3 O8 Ag1 -124.25(17) 2_656
Ag1 C42 C43 C44 102.8(4) .
Ag1 C43 C44 C39 82.6(4) .
Ag1A S2 C46 F4 -107.6(4) .
Ag1A S2 C46 F5 133.0(4) .
Ag1A S2 C46 F6 12.0(5) .
C45 S1 O1 Ru1 -171.4(4) .
C45A S1 O1 Ru1 173.3(6) .
