#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/37/4123785.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_4123785
loop_
_publ_author_name
'Park, Yu Jin'
'Ryu, Ji Yeon'
'Begum, Halima'
'Lee, Min Hyung'
'Stang, Peter J.'
'Lee, Junseong'
_publ_section_title
;
 Selective Formation of Heterometallic Ru-Ag Supramolecules via
 Stoichiometric Control of Multiple Different Tectons.
;
_journal_issue                   18
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5863
_journal_page_last               5866
_journal_paper_doi               10.1021/jacs.5b01253
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C109 H102 Ag6 F18 N24 O25 Ru6 S6'
_chemical_formula_weight         3936.15
_chemical_name_systematic
; 
 ? 
;
_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                99.2850(10)
_cell_angle_beta                 114.2580(10)
_cell_angle_gamma                104.7440(10)
_cell_formula_units_Z            1
_cell_length_a                   16.1775(3)
_cell_length_b                   16.6309(3)
_cell_length_c                   17.1767(3)
_cell_measurement_temperature    100(2)
_cell_volume                     3884.84(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1520
_diffrn_reflns_av_sigmaI/netI    0.2722
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            37147
_diffrn_reflns_theta_full        25.38
_diffrn_reflns_theta_max         25.38
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    1.470
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1928
_refine_diff_density_max         1.321
_refine_diff_density_min         -0.714
_refine_diff_density_rms         0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.959
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     891
_refine_ls_number_reflns         13956
_refine_ls_number_restraints     54
_refine_ls_restrained_S_all      0.958
_refine_ls_R_factor_all          0.2348
_refine_ls_R_factor_gt           0.0825
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+0.7240P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1786
_refine_ls_wR_factor_ref         0.2362
_reflns_number_gt                5494
_reflns_number_total             13956
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja5b01253_si_004.cif
_cod_data_source_block           yj07-2
_cod_original_cell_volume        3884.83(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4123785
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
Ru3 Ru 0.72405(9) 0.30081(8) 0.14422(8) 0.0345(4) Uani 1 1 d .
Ru1 Ru 0.35063(10) 0.63676(8) 0.21071(9) 0.0358(4) Uani 1 1 d .
Ru2 Ru 0.34945(9) 0.26995(8) 0.15295(9) 0.0347(4) Uani 1 1 d .
Ag2 Ag 0.20657(10) 0.39680(8) 0.03146(9) 0.0526(4) Uani 1 1 d .
Ag3 Ag 0.63078(10) 0.41894(9) 0.27580(9) 0.0512(4) Uani 1 1 d .
Ag1 Ag 0.47524(10) 0.78149(8) 0.11500(9) 0.0539(4) Uani 1 1 d .
N2 N 0.3485(9) 0.4515(8) 0.1750(8) 0.034(3) Uani 1 1 d .
N4 N 0.5004(9) 0.4624(8) 0.2404(8) 0.038(3) Uani 1 1 d .
N3 N 0.4091(9) 0.4066(8) 0.1928(8) 0.034(3) Uani 1 1 d .
N1 N 0.4040(10) 0.5365(7) 0.2133(8) 0.033(3) Uani 1 1 d .
C33 C 0.6498(13) 0.7773(10) 0.3194(12) 0.054(5) Uani 1 1 d .
H33 H 0.6459 0.8285 0.3028 0.065 Uiso 1 1 calc R
C31 C 0.5781(13) 0.6246(10) 0.3030(11) 0.043(4) Uani 1 1 d .
C37 C 0.4968(13) 0.5442(9) 0.2544(10) 0.036(4) Uani 1 1 d .
C32 C 0.5710(11) 0.7015(10) 0.2822(10) 0.036(4) Uani 1 1 d .
O1 O 0.4842(8) 0.7014(6) 0.2182(7) 0.043(3) Uani 1 1 d .
C36 C 0.6668(14) 0.6308(12) 0.3678(12) 0.056(5) Uani 1 1 d .
H36 H 0.6722 0.5798 0.3843 0.067 Uiso 1 1 calc R
C34 C 0.7365(14) 0.7747(13) 0.3835(13) 0.078(6) Uani 1 1 d .
H34 H 0.7926 0.8263 0.4110 0.093 Uiso 1 1 calc R
C35 C 0.7450(15) 0.7020(14) 0.4088(14) 0.075(6) Uani 1 1 d .
H35 H 0.8045 0.7028 0.4538 0.090 Uiso 1 1 calc R
N5 N 0.4455(10) 0.2658(8) 0.1034(8) 0.037(3) Uani 1 1 d .
N6 N 0.5413(10) 0.2909(8) 0.1495(8) 0.036(3) Uani 1 1 d .
N7 N 0.5738(9) 0.2751(8) 0.0923(9) 0.034(3) Uani 1 1 d .
C38 C 0.3239(12) 0.2009(9) -0.0570(10) 0.038(4) Uani 1 1 d .
C39 C 0.2483(14) 0.2298(11) -0.0492(12) 0.046(5) Uani 1 1 d .
C44 C 0.4232(12) 0.2364(10) 0.0188(12) 0.041(4) Uani 1 1 d .
C40 C 0.1560(13) 0.2029(12) -0.1200(13) 0.058(5) Uani 1 1 d .
H40 H 0.1072 0.2215 -0.1146 0.069 Uiso 1 1 calc R
O2 O 0.2714(7) 0.2867(6) 0.0296(7) 0.046(3) Uani 1 1 d .
C14 C 0.3121(19) 0.1327(10) 0.1511(15) 0.061(6) Uani 1 1 d .
C16 C 0.2311(14) 0.2292(12) 0.1846(13) 0.055(5) Uani 1 1 d .
H16 H 0.1743 0.2438 0.1660 0.066 Uiso 1 1 calc R
C12 C 0.3948(13) 0.2532(11) 0.2859(11) 0.045(4) Uani 1 1 d .
H12 H 0.4587 0.2948 0.3359 0.054 Uiso 1 1 calc R
C11 C 0.3115(14) 0.2783(11) 0.2652(12) 0.044(4) Uani 1 1 d .
C15 C 0.2319(14) 0.1577(13) 0.1295(13) 0.063(5) Uani 1 1 d .
H15 H 0.1747 0.1247 0.0747 0.075 Uiso 1 1 calc R
C5 C 0.2375(13) 0.6931(12) 0.1922(12) 0.049(5) Uani 1 1 d .
H5 H 0.2036 0.7051 0.1343 0.058 Uiso 1 1 calc R
C6 C 0.3303(14) 0.7551(12) 0.2598(13) 0.054(5) Uani 1 1 d .
H6 H 0.3596 0.8104 0.2496 0.065 Uiso 1 1 calc R
C4 C 0.2050(13) 0.6072(12) 0.1982(12) 0.052(5) Uani 1 1 d .
C1 C 0.3869(13) 0.7313(11) 0.3369(11) 0.050(5) Uani 1 1 d .
C2 C 0.3538(16) 0.6469(12) 0.3411(13) 0.060(5) Uani 1 1 d .
H2 H 0.3993 0.6262 0.3857 0.072 Uiso 1 1 calc R
C3 C 0.2628(14) 0.5862(11) 0.2729(12) 0.046(5) Uani 1 1 d .
H3 H 0.2469 0.5235 0.2708 0.055 Uiso 1 1 calc R
C23 C 0.7660(14) 0.1973(12) 0.0919(12) 0.053(5) Uani 1 1 d .
H23 H 0.7575 0.1751 0.0335 0.064 Uiso 1 1 calc R
C26 C 0.7934(14) 0.2667(12) 0.2658(11) 0.053(5) Uani 1 1 d .
H26 H 0.7987 0.2887 0.3229 0.063 Uiso 1 1 calc R
C21 C 0.8703(13) 0.3087(11) 0.2460(13) 0.051(5) Uani 1 1 d .
C25 C 0.7116(12) 0.1943(12) 0.2017(12) 0.049(5) Uani 1 1 d .
H25 H 0.6639 0.1674 0.2173 0.059 Uiso 1 1 calc R
C24 C 0.6985(14) 0.1609(12) 0.1162(14) 0.054(5) Uani 1 1 d .
C22 C 0.8468(15) 0.2670(14) 0.1546(14) 0.063(6) Uani 1 1 d .
H22 H 0.8930 0.2909 0.1361 0.075 Uiso 1 1 calc R
C19 C 0.2464(16) 0.3172(14) 0.3647(14) 0.098(7) Uani 1 1 d U
H19A H 0.2737 0.2798 0.3983 0.147 Uiso 1 1 calc R
H19B H 0.1797 0.2831 0.3179 0.147 Uiso 1 1 calc R
H19C H 0.2463 0.3658 0.4055 0.147 Uiso 1 1 calc R
C13 C 0.3949(14) 0.1848(12) 0.2293(14) 0.054(5) Uani 1 1 d .
H13 H 0.4579 0.1773 0.2410 0.065 Uiso 1 1 calc R
C20 C 0.3107(16) 0.0577(12) 0.0827(14) 0.093(7) Uani 1 1 d .
H20A H 0.2493 0.0372 0.0270 0.140 Uiso 1 1 calc R
H20B H 0.3171 0.0094 0.1079 0.140 Uiso 1 1 calc R
H20C H 0.3649 0.0793 0.0703 0.140 Uiso 1 1 calc R
C18 C 0.4050(16) 0.4191(13) 0.3921(13) 0.086(7) Uani 1 1 d .
H18A H 0.4497 0.3889 0.4175 0.129 Uiso 1 1 calc R
H18B H 0.3966 0.4516 0.4395 0.129 Uiso 1 1 calc R
H18C H 0.4316 0.4596 0.3656 0.129 Uiso 1 1 calc R
C17 C 0.3085(17) 0.3534(13) 0.3211(14) 0.073(6) Uani 1 1 d .
H17 H 0.2742 0.3843 0.2806 0.088 Uiso 1 1 calc R
O3 O 0.7355(7) 0.4214(6) 0.2136(7) 0.041(3) Uani 1 1 d .
C47 C 0.8513(13) 0.5577(12) 0.3097(13) 0.060(5) Uani 1 1 d .
H47 H 0.8363 0.5461 0.3557 0.072 Uiso 1 1 calc R
C45 C 0.8243(11) 0.5146(10) 0.1601(11) 0.037(4) Uani 1 1 d .
C48 C 0.9183(15) 0.6354(12) 0.3280(13) 0.072(6) Uani 1 1 d .
H48 H 0.9490 0.6775 0.3852 0.086 Uiso 1 1 calc R
C46 C 0.8035(11) 0.4942(11) 0.2280(10) 0.037(4) Uani 1 1 d .
C51 C 0.7706(11) 0.4513(11) 0.0705(11) 0.042(4) Uani 1 1 d .
C30 C 0.6127(14) 0.0850(12) 0.0493(13) 0.078(6) Uani 1 1 d .
H30A H 0.6052 0.0832 -0.0106 0.117 Uiso 1 1 calc R
H30B H 0.5547 0.0899 0.0519 0.117 Uiso 1 1 calc R
H30C H 0.6210 0.0314 0.0620 0.117 Uiso 1 1 calc R
C27 C 0.9545(14) 0.3837(14) 0.3136(14) 0.081(7) Uani 1 1 d .
H27 H 0.9315 0.4257 0.3399 0.097 Uiso 1 1 calc R
C8 C 0.4568(16) 0.8739(14) 0.4563(14) 0.127(10) Uani 1 1 d .
H8A H 0.4150 0.8463 0.4800 0.191 Uiso 1 1 calc R
H8B H 0.4214 0.8986 0.4109 0.191 Uiso 1 1 calc R
H8C H 0.5150 0.9204 0.5052 0.191 Uiso 1 1 calc R
C9 C 0.5496(16) 0.7610(16) 0.4747(13) 0.100(8) Uani 1 1 d .
C7 C 0.4883(16) 0.8012(14) 0.4111(14) 0.088(7) Uani 1 1 d .
H7 H 0.5243 0.8283 0.3810 0.106 Uiso 1 1 calc R
C10 C 0.1097(14) 0.5436(13) 0.1269(14) 0.086(7) Uani 1 1 d .
H10A H 0.1115 0.4845 0.1203 0.129 Uiso 1 1 calc R
H10B H 0.0955 0.5568 0.0702 0.129 Uiso 1 1 calc R
H10C H 0.0590 0.5475 0.1431 0.129 Uiso 1 1 calc R
S1 S 0.7120(5) 0.3971(5) 0.4718(5) 0.088(2) Uani 1 1 d D
C43 C 0.2980(14) 0.1416(12) -0.1368(12) 0.064(5) Uani 1 1 d .
H43 H 0.3441 0.1185 -0.1423 0.076 Uiso 1 1 calc R
C41 C 0.1378(15) 0.1477(15) -0.1992(14) 0.087(7) Uani 1 1 d .
H41 H 0.0759 0.1306 -0.2500 0.104 Uiso 1 1 calc R
C42 C 0.2078(17) 0.1155(13) -0.2074(14) 0.081(6) Uani 1 1 d .
H42 H 0.1917 0.0758 -0.2623 0.097 Uiso 1 1 calc R
N9 N 0.7241(9) 0.3660(7) 0.0518(8) 0.033(3) Uani 1 1 d .
O4 O 0.7516(13) 0.4382(14) 0.4285(11) 0.149(8) Uani 1 1 d .
O6 O 0.7287(18) 0.4552(14) 0.5488(16) 0.174(10) Uani 1 1 d .
O5 O 0.6246(17) 0.3374(18) 0.434(2) 0.286(19) Uani 1 1 d .
F2 F 0.762(2) 0.2946(17) 0.5630(16) 0.250(14) Uani 1 1 d .
F1 F 0.798(3) 0.291(2) 0.4699(19) 0.271(17) Uani 1 1 d .
F3 F 0.876(2) 0.3931(18) 0.556(2) 0.298(17) Uani 1 1 d .
C29 C 1.0192(17) 0.4301(15) 0.2838(18) 0.133(10) Uani 1 1 d .
H29A H 1.0409 0.3893 0.2564 0.200 Uiso 1 1 calc R
H29B H 1.0756 0.4760 0.3353 0.200 Uiso 1 1 calc R
H29C H 0.9848 0.4565 0.2397 0.200 Uiso 1 1 calc R
C28 C 1.0141(16) 0.3507(16) 0.3869(15) 0.123(9) Uani 1 1 d .
H28A H 1.0461 0.3173 0.3648 0.184 Uiso 1 1 calc R
H28B H 0.9714 0.3132 0.4041 0.184 Uiso 1 1 calc R
H28C H 1.0633 0.4004 0.4392 0.184 Uiso 1 1 calc R
N8 N 0.5018(9) 0.2400(7) 0.0080(8) 0.035(3) Uani 1 1 d .
N10 N 0.6797(8) 0.3308(7) -0.0362(8) 0.033(3) Uani 1 1 d .
N12 N 0.7564(8) 0.4724(8) -0.0061(8) 0.034(3) Uani 1 1 d .
N11 N 0.7006(9) 0.3948(8) -0.0702(8) 0.035(3) Uani 1 1 d .
C50 C 0.8966(12) 0.5914(10) 0.1751(10) 0.043(4) Uani 1 1 d .
H50 H 0.9135 0.6005 0.1295 0.052 Uiso 1 1 calc R
C49 C 0.9430(14) 0.6537(11) 0.2579(14) 0.069(6) Uani 1 1 d .
H49 H 0.9902 0.7078 0.2693 0.083 Uiso 1 1 calc R
S3 S 0.9890(5) 0.2888(4) 1.0096(5) 0.0844(18) Uani 1 1 d .
O11 O 1.0180(17) 0.3074(13) 0.9469(19) 0.200(12) Uani 1 1 d .
O10 O 1.0671(15) 0.3083(13) 1.0929(17) 0.202(12) Uani 1 1 d .
F8 F 1.0002(12) 0.1361(9) 0.9665(12) 0.152(6) Uani 1 1 d .
F7 F 0.9224(17) 0.1479(12) 1.0327(18) 0.216(11) Uani 1 1 d .
F9 F 0.8655(16) 0.1470(14) 0.8953(18) 0.288(19) Uani 1 1 d .
O12 O 0.9139(9) 0.3153(9) 1.0101(9) 0.078(4) Uani 1 1 d .
C101 C 0.780(2) 0.335(2) 0.512(2) 0.111(9) Uani 1 1 d DU
C103 C 0.938(3) 0.175(2) 0.970(3) 0.136(13) Uani 1 1 d .
O51 O 0.623(3) 0.592(3) 0.105(3) 0.153(18) Uani 0.50 1 d PD
C61 C 0.534(5) 0.533(5) 0.051(4) 0.20(4) Uani 0.50 1 d PDU
C102 C 0.615(2) 1.0279(18) 0.3404(14) 1.02(3) Uani 1 1 d DU
S2 S 0.5264(6) 0.9862(4) 0.2321(5) 0.102(2) Uani 1 1 d D
O7 O 0.454(3) 0.951(3) 0.241(3) 0.318(18) Uani 1 1 d U
O8 O 0.5166(12) 1.0529(11) 0.1922(12) 0.135(7) Uani 1 1 d .
F4 F 0.687(2) 1.054(2) 0.338(2) 0.319(14) Uani 1 1 d DU
F5 F 0.615(2) 0.9863(17) 0.3881(14) 0.35(2) Uani 1 1 d D
F6 F 0.610(2) 1.0912(18) 0.3738(19) 0.291(12) Uani 1 1 d DU
O9 O 0.550(3) 0.9272(18) 0.2094(16) 0.33(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'
Ru Ru -1.2594 0.8363 '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'
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
N9 Ru3 O3 81.2(4) . .
N9 Ru3 N7 88.9(4) . .
O3 Ru3 N7 83.2(4) . .
N9 Ru3 C22 94.1(5) . .
O3 Ru3 C22 123.6(7) . .
N7 Ru3 C22 153.2(7) . .
N9 Ru3 C25 159.6(6) . .
O3 Ru3 C25 118.9(6) . .
N7 Ru3 C25 90.3(5) . .
C22 Ru3 C25 77.7(6) . .
N9 Ru3 C26 153.7(6) . .
O3 Ru3 C26 93.3(5) . .
N7 Ru3 C26 116.1(6) . .
C22 Ru3 C26 67.5(6) . .
C25 Ru3 C26 37.8(6) . .
N9 Ru3 C24 122.5(6) . .
O3 Ru3 C24 155.5(6) . .
N7 Ru3 C24 90.7(6) . .
C22 Ru3 C24 65.3(7) . .
C25 Ru3 C24 37.1(6) . .
C26 Ru3 C24 68.2(7) . .
N9 Ru3 C23 95.9(6) . .
O3 Ru3 C23 160.2(6) . .
N7 Ru3 C23 116.4(6) . .
C22 Ru3 C23 36.8(6) . .
C25 Ru3 C23 66.3(7) . .
C26 Ru3 C23 80.6(6) . .
C24 Ru3 C23 36.1(6) . .
N9 Ru3 C21 115.8(5) . .
O3 Ru3 C21 93.8(6) . .
N7 Ru3 C21 154.5(5) . .
C22 Ru3 C21 38.6(6) . .
C25 Ru3 C21 68.9(6) . .
C26 Ru3 C21 38.6(6) . .
C24 Ru3 C21 81.6(7) . .
C23 Ru3 C21 69.7(7) . .
N1 Ru1 O1 80.6(4) . .
N1 Ru1 N11 89.5(4) . 2_665
O1 Ru1 N11 84.0(4) . 2_665
N1 Ru1 C6 159.0(6) . .
O1 Ru1 C6 95.0(5) . .
N11 Ru1 C6 110.6(6) 2_665 .
N1 Ru1 C3 93.3(5) . .
O1 Ru1 C3 151.4(6) . .
N11 Ru1 C3 124.1(6) 2_665 .
C6 Ru1 C3 80.7(6) . .
N1 Ru1 C4 117.0(6) . .
O1 Ru1 C4 162.2(6) . .
N11 Ru1 C4 93.8(6) 2_665 .
C6 Ru1 C4 69.2(7) . .
C3 Ru1 C4 37.3(6) . .
N1 Ru1 C5 154.5(6) . .
O1 Ru1 C5 124.2(5) . .
N11 Ru1 C5 88.0(5) 2_665 .
C6 Ru1 C5 38.4(6) . .
C3 Ru1 C5 67.6(6) . .
C4 Ru1 C5 38.0(6) . .
N1 Ru1 C2 94.4(5) . .
O1 Ru1 C2 114.5(6) . .
N11 Ru1 C2 161.5(7) 2_665 .
C6 Ru1 C2 68.6(6) . .
C3 Ru1 C2 37.6(6) . .
C4 Ru1 C2 68.3(7) . .
C5 Ru1 C2 80.7(6) . .
N1 Ru1 C1 120.6(6) . .
O1 Ru1 C1 91.9(5) . .
N11 Ru1 C1 148.7(6) 2_665 .
C6 Ru1 C1 38.6(6) . .
C3 Ru1 C1 67.1(6) . .
C4 Ru1 C1 80.9(6) . .
C5 Ru1 C1 68.8(7) . .
C2 Ru1 C1 36.9(6) . .
N5 Ru2 O2 81.7(5) . .
N5 Ru2 N3 88.7(5) . .
O2 Ru2 N3 82.5(4) . .
N5 Ru2 C15 123.6(7) . .
O2 Ru2 C15 92.8(6) . .
N3 Ru2 C15 146.5(7) . .
N5 Ru2 C13 90.8(6) . .
O2 Ru2 C13 149.1(6) . .
N3 Ru2 C13 127.5(6) . .
C15 Ru2 C13 66.5(7) . .
N5 Ru2 C16 161.4(6) . .
O2 Ru2 C16 98.2(6) . .
N3 Ru2 C16 109.8(6) . .
C15 Ru2 C16 37.9(6) . .
C13 Ru2 C16 79.7(6) . .
N5 Ru2 C12 114.6(6) . .
O2 Ru2 C12 163.6(5) . .
N3 Ru2 C12 98.0(5) . .
C15 Ru2 C12 77.7(7) . .
C13 Ru2 C12 37.0(6) . .
C16 Ru2 C12 66.1(6) . .
N5 Ru2 C14 94.7(6) . .
O2 Ru2 C14 113.4(7) . .
N3 Ru2 C14 164.0(7) . .
C15 Ru2 C14 37.2(7) . .
C13 Ru2 C14 37.0(6) . .
C16 Ru2 C14 68.2(7) . .
C12 Ru2 C14 66.4(7) . .
N5 Ru2 C11 151.5(6) . .
O2 Ru2 C11 126.1(5) . .
N3 Ru2 C11 89.4(5) . .
C15 Ru2 C11 66.7(7) . .
C13 Ru2 C11 68.2(6) . .
C16 Ru2 C11 36.2(6) . .
C12 Ru2 C11 37.8(5) . .
C14 Ru2 C11 80.2(6) . .
N12 Ag2 O2 132.4(4) 2_665 .
N12 Ag2 N2 91.3(4) 2_665 .
O2 Ag2 N2 77.7(4) . .
N4 Ag3 O3 131.8(4) . .
N4 Ag3 N6 92.5(5) . .
O3 Ag3 N6 77.3(4) . .
N4 Ag3 O4 124.8(5) . .
O3 Ag3 O4 95.7(5) . .
N6 Ag3 O4 129.4(6) . .
N8 Ag1 O1 131.5(4) 2_665 .
N8 Ag1 O9 114.7(10) 2_665 .
O1 Ag1 O9 102.2(8) . .
N8 Ag1 N10 91.5(4) 2_665 2_665
O1 Ag1 N10 78.7(4) . 2_665
O9 Ag1 N10 139.5(10) . 2_665
N1 N2 N3 106.8(11) . .
N1 N2 Ag2 122.9(9) . .
N3 N2 Ag2 117.8(9) . .
N3 N4 C37 107.0(12) . .
N3 N4 Ag3 122.7(9) . .
C37 N4 Ag3 130.0(11) . .
N4 N3 N2 109.3(11) . .
N4 N3 Ru2 131.9(9) . .
N2 N3 Ru2 118.6(10) . .
C37 N1 N2 109.1(11) . .
C37 N1 Ru1 126.5(10) . .
N2 N1 Ru1 124.4(10) . .
C32 C33 C34 115.9(16) . .
C36 C31 C32 116.4(16) . .
C36 C31 C37 123.4(15) . .
C32 C31 C37 120.1(15) . .
N1 C37 N4 107.7(13) . .
N1 C37 C31 125.8(14) . .
N4 C37 C31 126.5(16) . .
C33 C32 O1 117.6(14) . .
C33 C32 C31 122.0(15) . .
O1 C32 C31 120.3(14) . .
C32 O1 Ru1 122.4(8) . .
C32 O1 Ag1 122.9(8) . .
Ru1 O1 Ag1 114.6(5) . .
C35 C36 C31 125.0(18) . .
C35 C34 C33 123.6(17) . .
C36 C35 C34 116.9(19) . .
C44 N5 N6 106.1(12) . .
C44 N5 Ru2 126.5(12) . .
N6 N5 Ru2 127.5(10) . .
N7 N6 N5 107.6(12) . .
N7 N6 Ag3 120.1(10) . .
N5 N6 Ag3 120.1(9) . .
N6 N7 N8 111.8(12) . .
N6 N7 Ru3 117.7(10) . .
N8 N7 Ru3 130.4(10) . .
C43 C38 C39 117.6(16) . .
C43 C38 C44 122.9(15) . .
C39 C38 C44 119.5(15) . .
O2 C39 C40 119.5(15) . .
O2 C39 C38 118.7(15) . .
C40 C39 C38 121.8(16) . .
N5 C44 N8 112.4(15) . .
N5 C44 C38 125.0(15) . .
N8 C44 C38 122.6(16) . .
C39 C40 C41 116.9(17) . .
C39 O2 Ru2 122.1(8) . .
C39 O2 Ag2 121.0(8) . .
Ru2 O2 Ag2 116.4(5) . .
C13 C14 C15 116.4(17) . .
C13 C14 C20 123(2) . .
C15 C14 C20 120(2) . .
C13 C14 Ru2 69.4(9) . .
C15 C14 Ru2 69.2(9) . .
C20 C14 Ru2 124.9(12) . .
C11 C16 C15 120.7(18) . .
C11 C16 Ru2 74.6(10) . .
C15 C16 Ru2 69.7(10) . .
C13 C12 C11 122.5(17) . .
C13 C12 Ru2 70.0(9) . .
C11 C12 Ru2 73.5(9) . .
C16 C11 C12 115.6(16) . .
C16 C11 C17 119.4(18) . .
C12 C11 C17 124.9(18) . .
C16 C11 Ru2 69.2(10) . .
C12 C11 Ru2 68.8(9) . .
C17 C11 Ru2 130.0(11) . .
C14 C15 C16 123.2(19) . .
C14 C15 Ru2 73.6(10) . .
C16 C15 Ru2 72.4(10) . .
C4 C5 C6 119.8(16) . .
C4 C5 Ru1 70.8(9) . .
C6 C5 Ru1 69.9(9) . .
C5 C6 C1 119.2(15) . .
C5 C6 Ru1 71.7(10) . .
C1 C6 Ru1 72.3(9) . .
C3 C4 C5 119.0(17) . .
C3 C4 C10 121.9(17) . .
C5 C4 C10 119.1(18) . .
C3 C4 Ru1 71.3(10) . .
C5 C4 Ru1 71.2(9) . .
C10 C4 Ru1 131.1(12) . .
C2 C1 C6 119.6(17) . .
C2 C1 C7 122.0(18) . .
C6 C1 C7 118.2(17) . .
C2 C1 Ru1 70.9(10) . .
C6 C1 Ru1 69.1(9) . .
C7 C1 Ru1 129.5(12) . .
C1 C2 C3 120.2(17) . .
C1 C2 Ru1 72.3(9) . .
C3 C2 Ru1 70.9(10) . .
C4 C3 C2 121.9(15) . .
C4 C3 Ru1 71.4(9) . .
C2 C3 Ru1 71.4(9) . .
C24 C23 C22 117.8(18) . .
C24 C23 Ru3 71.7(11) . .
C22 C23 Ru3 69.5(10) . .
C25 C26 C21 121.0(16) . .
C25 C26 Ru3 70.9(9) . .
C21 C26 Ru3 73.4(9) . .
C22 C21 C27 129.1(17) . .
C22 C21 C26 110.7(16) . .
C27 C21 C26 120.1(18) . .
C22 C21 Ru3 67.0(9) . .
C27 C21 Ru3 130.7(13) . .
C26 C21 Ru3 68.0(9) . .
C24 C25 C26 122.1(16) . .
C24 C25 Ru3 72.4(9) . .
C26 C25 Ru3 71.3(9) . .
C23 C24 C25 120.5(18) . .
C23 C24 C30 117.6(18) . .
C25 C24 C30 121.9(17) . .
C23 C24 Ru3 72.2(10) . .
C25 C24 Ru3 70.4(10) . .
C30 C24 Ru3 130.8(13) . .
C23 C22 C21 127.8(17) . .
C23 C22 Ru3 73.7(11) . .
C21 C22 Ru3 74.4(9) . .
C12 C13 C14 121.4(17) . .
C12 C13 Ru2 73.0(9) . .
C14 C13 Ru2 73.6(10) . .
C11 C17 C18 116.1(18) . .
C11 C17 C19 107.4(16) . .
C18 C17 C19 109.8(17) . .
C46 O3 Ru3 121.5(9) . .
C46 O3 Ag3 122.0(9) . .
Ru3 O3 Ag3 116.2(4) . .
C48 C47 C46 123.6(17) . .
C50 C45 C46 122.9(15) . .
C50 C45 C51 118.2(13) . .
C46 C45 C51 118.9(14) . .
C47 C48 C49 118.8(17) . .
O3 C46 C47 120.2(14) . .
O3 C46 C45 122.7(14) . .
C47 C46 C45 116.9(16) . .
N9 C51 N12 110.5(15) . .
N9 C51 C45 125.1(13) . .
N12 C51 C45 124.2(14) . .
C29 C27 C21 116(2) . .
C29 C27 C28 106.9(19) . .
C21 C27 C28 107.3(17) . .
C9 C7 C1 112.1(18) . .
C9 C7 C8 115.7(18) . .
C1 C7 C8 102.4(16) . .
O5 S1 O4 124.9(17) . .
O5 S1 O6 110.3(19) . .
O4 S1 O6 110.7(14) . .
O5 S1 C101 99.8(17) . .
O4 S1 C101 104.7(14) . .
O6 S1 C101 103.5(15) . .
C42 C43 C38 121.1(18) . .
C40 C41 C42 122.5(18) . .
C43 C42 C41 119.9(19) . .
N10 N9 C51 108.0(12) . .
N10 N9 Ru3 126.1(9) . .
C51 N9 Ru3 125.9(11) . .
S1 O4 Ag3 112.0(11) . .
N7 N8 C44 102.1(13) . .
N7 N8 Ag1 124.1(9) . 2_665
C44 N8 Ag1 133.0(11) . 2_665
N9 N10 N11 106.6(11) . .
N9 N10 Ag1 122.5(9) . 2_665
N11 N10 Ag1 119.7(9) . 2_665
N11 N12 C51 102.7(12) . .
N11 N12 Ag2 125.3(9) . 2_665
C51 N12 Ag2 131.5(11) . 2_665
N10 N11 N12 112.2(11) . .
N10 N11 Ru1 118.3(10) . 2_665
N12 N11 Ru1 129.4(9) . 2_665
C49 C50 C45 118.3(15) . .
C50 C49 C48 119.2(17) . .
O10 S3 O11 112.1(16) . .
O10 S3 O12 115.0(13) . .
O11 S3 O12 116.5(11) . .
O10 S3 C103 105.5(15) . .
O11 S3 C103 101.6(14) . .
O12 S3 C103 104.3(12) . .
F1 C101 F2 107(2) . .
F1 C101 F3 91(3) . .
F2 C101 F3 111(3) . .
F1 C101 S1 124(3) . .
F2 C101 S1 117(2) . .
F3 C101 S1 105(2) . .
F9 C103 F7 115(4) . .
F9 C103 F8 108(3) . .
F7 C103 F8 100(2) . .
F9 C103 S3 113(2) . .
F7 C103 S3 108(3) . .
F8 C103 S3 114(2) . .
O51 C61 C61 142(10) . 2_665
F6 C102 F5 104(3) . .
F6 C102 F4 102(3) . .
F5 C102 F4 116(3) . .
F6 C102 S2 110(2) . .
F5 C102 S2 118(2) . .
F4 C102 S2 106(2) . .
O9 S2 O7 105(2) . .
O9 S2 O8 125.8(19) . .
O7 S2 O8 112(2) . .
O9 S2 C102 98.5(18) . .
O7 S2 C102 101(2) . .
O8 S2 C102 110.7(13) . .
S2 O9 Ag1 139(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru3 N9 2.063(11) .
Ru3 O3 2.082(10) .
Ru3 N7 2.110(12) .
Ru3 C22 2.146(16) .
Ru3 C25 2.167(14) .
Ru3 C26 2.173(15) .
Ru3 C24 2.192(17) .
Ru3 C23 2.198(17) .
Ru3 C21 2.245(17) .
Ru1 N1 2.063(11) .
Ru1 O1 2.095(10) .
Ru1 N11 2.125(11) 2_665
Ru1 C6 2.171(16) .
Ru1 C3 2.190(15) .
Ru1 C4 2.191(16) .
Ru1 C5 2.195(15) .
Ru1 C2 2.196(16) .
Ru1 C1 2.214(15) .
Ru2 N5 2.066(13) .
Ru2 O2 2.082(10) .
Ru2 N3 2.098(12) .
Ru2 C15 2.142(17) .
Ru2 C13 2.145(15) .
Ru2 C16 2.176(16) .
Ru2 C12 2.183(14) .
Ru2 C14 2.199(15) .
Ru2 C11 2.245(16) .
Ag2 N12 2.267(11) 2_665
Ag2 O2 2.332(10) .
Ag2 N2 2.395(12) .
Ag3 N4 2.281(12) .
Ag3 O3 2.340(9) .
Ag3 N6 2.386(13) .
Ag3 O4 2.450(16) .
Ag1 N8 2.280(12) 2_665
Ag1 O1 2.363(9) .
Ag1 O9 2.36(2) .
Ag1 N10 2.370(12) 2_665
N2 N1 1.344(15) .
N2 N3 1.346(14) .
N4 N3 1.333(15) .
N4 C37 1.364(17) .
N1 C37 1.330(17) .
C33 C32 1.37(2) .
C33 C34 1.40(2) .
C31 C36 1.37(2) .
C31 C32 1.403(19) .
C31 C37 1.43(2) .
C32 O1 1.382(16) .
C36 C35 1.32(2) .
C34 C35 1.37(2) .
N5 C44 1.315(18) .
N5 N6 1.325(15) .
N6 N7 1.314(14) .
N7 N8 1.337(15) .
C38 C43 1.38(2) .
C38 C39 1.47(2) .
C38 C44 1.48(2) .
C39 O2 1.363(18) .
C39 C40 1.38(2) .
C44 N8 1.346(18) .
C40 C41 1.38(2) .
C14 C13 1.38(2) .
C14 C15 1.39(2) .
C14 C20 1.56(2) .
C16 C11 1.37(2) .
C16 C15 1.40(2) .
C12 C13 1.37(2) .
C12 C11 1.44(2) .
C11 C17 1.47(2) .
C5 C4 1.43(2) .
C5 C6 1.44(2) .
C6 C1 1.45(2) .
C4 C3 1.40(2) .
C4 C10 1.48(2) .
C1 C2 1.39(2) .
C1 C7 1.58(2) .
C2 C3 1.41(2) .
C23 C24 1.36(2) .
C23 C22 1.37(2) .
C26 C25 1.41(2) .
C26 C21 1.46(2) .
C21 C22 1.46(2) .
C21 C27 1.46(2) .
C25 C24 1.39(2) .
C24 C30 1.47(2) .
C19 C17 1.55(2) .
C18 C17 1.50(3) .
O3 C46 1.319(17) .
C47 C48 1.35(2) .
C47 C46 1.38(2) .
C45 C50 1.397(19) .
C45 C46 1.406(19) .
C45 C51 1.47(2) .
C48 C49 1.47(2) .
C51 N9 1.338(18) .
C51 N12 1.359(17) .
C27 C29 1.45(3) .
C27 C28 1.52(2) .
C8 C7 1.63(3) .
C9 C7 1.52(3) .
S1 O5 1.31(2) .
S1 O4 1.327(15) .
S1 O6 1.385(19) .
S1 C101 1.716(17) .
C43 C42 1.36(2) .
C41 C42 1.42(2) .
N9 N10 1.324(14) .
F2 C101 1.27(3) .
F1 C101 1.11(3) .
F3 C101 1.40(3) .
N8 Ag1 2.280(12) 2_665
N10 N11 1.328(14) .
N10 Ag1 2.370(12) 2_665
N12 N11 1.351(15) .
N12 Ag2 2.267(11) 2_665
N11 Ru1 2.125(11) 2_665
C50 C49 1.38(2) .
S3 O10 1.38(2) .
S3 O11 1.386(18) .
S3 O12 1.396(12) .
S3 C103 1.75(4) .
F8 C103 1.35(3) .
F7 C103 1.32(3) .
F9 C103 1.24(4) .
O51 C61 1.35(2) .
C61 C61 1.63(11) 2_665
C102 F6 1.15(2) .
C102 F5 1.155(19) .
C102 F4 1.162(19) .
C102 S2 1.697(19) .
S2 O9 1.200(18) .
S2 O7 1.25(4) .
S2 O8 1.403(14) .
