#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:57:32 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180162 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/58/7105857.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_7105857
loop_
_publ_author_name
'Holger Willms'
'Matthew Cowan'
'Sally Brooker'
_publ_section_title
;
 Heteroleptic N6 coordinated ruthenium(II) complexes as building blocks
 for the formation of discrete Ru2Ag2 complexes
;
_journal_name_full               Chem.Commun.
_journal_page_first              1063
_journal_paper_doi               10.1039/c0cc03969a
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C66 H66 Ag2 B4 F16 N18 O3 Ru2'
_chemical_formula_weight         1924.49
_chemical_name_systematic
;
?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.623(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.8896(13)
_cell_length_b                   15.1926(13)
_cell_length_c                   16.4503(11)
_cell_measurement_reflns_used    4951
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      25.286
_cell_measurement_theta_min      2.682
_cell_volume                     4291.7(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker Kappa Apex II area detector'
_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  0.0430
_diffrn_reflns_av_sigmaI/netI    0.0400
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            18411
_diffrn_reflns_theta_full        25.45
_diffrn_reflns_theta_max         25.45
_diffrn_reflns_theta_min         2.53
_exptl_absorpt_coefficient_mu    0.881
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6617
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALE (Bruker AXS Inc)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1916
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.940
_refine_diff_density_min         -1.588
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4075
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0615
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0958P)²+26.1853P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1691
_refine_ls_wR_factor_ref         0.1830
_reflns_number_gt                3339
_reflns_number_total             4075
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC03969A.TXT
_cod_data_source_block           hw117
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      C2/m
_cod_database_code               7105857
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
Ru1 Ru 0.67643(3) 0.5000 0.85284(4) 0.0354(2) Uani 1 2 d S . .
Ag1 Ag 0.70054(4) 0.5000 0.49686(4) 0.0739(4) Uani 1 2 d SD . .
N1 N 0.5633(3) 0.5000 0.7604(4) 0.0333(14) Uani 1 2 d S . .
N2 N 0.4149(4) 0.5000 0.6194(4) 0.051(2) Uani 1 2 d S . .
C1 C 0.4989(4) 0.5000 0.7732(5) 0.047(2) Uani 1 2 d S . .
H1 H 0.5027 0.5000 0.8326 0.056 Uiso 1 2 calc SR . .
C2 C 0.4265(4) 0.5000 0.7032(5) 0.043(2) Uani 1 2 d S . .
H2 H 0.3822 0.5000 0.7167 0.052 Uiso 1 2 calc SR . .
C3 C 0.4801(6) 0.5000 0.6063(7) 0.111(6) Uani 1 2 d S A .
H3 H 0.4757 0.5000 0.5466 0.133 Uiso 1 2 calc SR . .
C4 C 0.5533(5) 0.5000 0.6753(6) 0.065(3) Uani 1 2 d S . .
C5 C 0.6270(6) 0.5262(7) 0.6612(7) 0.038(3) Uani 0.50 1 d P A -1
O1 O 0.6209(4) 0.5410(6) 0.5835(5) 0.058(3) Uani 0.50 1 d P A -1
N3 N 0.6899(4) 0.5000 0.7354(4) 0.059(2) Uani 1 2 d S . .
C6 C 0.7640(5) 0.5000 0.7264(6) 0.069(4) Uani 1 2 d S . .
H6A H 0.8063 0.4861 0.7854 0.083 Uiso 0.50 1 calc PR B -1
H6B H 0.7625 0.4521 0.6849 0.083 Uiso 0.50 1 calc PR B -1
C7 C 0.7815(7) 0.5728(9) 0.6977(8) 0.045(3) Uani 0.50 1 d P . -1
H7A H 0.7984 0.6163 0.7470 0.054 Uiso 0.50 1 calc PR . -1
H7B H 0.7337 0.5961 0.6489 0.054 Uiso 0.50 1 calc PR . -1
N4 N 0.8212(4) 0.5365(8) 0.5796(5) 0.061(4) Uani 0.50 1 d PG . -1
C8 C 0.8426(4) 0.5666(7) 0.6643(5) 0.048(3) Uani 0.50 1 d PG . -1
C9 C 0.9226(4) 0.5850(8) 0.7184(5) 0.065(4) Uani 0.50 1 d PG . -1
H9 H 0.9384 0.6060 0.7778 0.078 Uiso 0.50 1 calc PR . -1
C10 C 0.9752(4) 0.5724(14) 0.6851(8) 0.105(8) Uani 0.50 1 d PG . -1
H10 H 1.0286 0.5839 0.7214 0.126 Uiso 0.50 1 calc PR . -1
C11 C 0.9530(8) 0.5428(15) 0.5982(11) 0.111(11) Uani 0.50 1 d P . -1
H11 H 0.9903 0.5349 0.5740 0.133 Uiso 0.50 1 calc PR . -1
C12 C 0.8755(7) 0.5251(14) 0.5480(9) 0.070(9) Uani 0.50 1 d P . -1
H12 H 0.8598 0.5041 0.4887 0.084 Uiso 0.50 1 calc PR . -1
N5 N 0.6979(3) 0.6327(4) 0.8654(4) 0.0556(14) Uani 1 1 d . . .
N6 N 0.7870(4) 0.5000 0.9345(4) 0.052(2) Uani 1 2 d S . .
C13 C 0.6501(5) 0.6983(5) 0.8226(5) 0.076(2) Uani 1 1 d . A .
H13 H 0.5976 0.6844 0.7848 0.091 Uiso 1 1 calc R . .
C14 C 0.6731(7) 0.7861(6) 0.8304(7) 0.109(4) Uani 1 1 d . . .
H14 H 0.6371 0.8302 0.7969 0.131 Uiso 1 1 calc R A .
C15 C 0.7457(8) 0.8083(9) 0.8849(8) 0.126(5) Uani 1 1 d . A .
H15 H 0.7614 0.8682 0.8920 0.151 Uiso 1 1 calc R . .
C16 C 0.7976(7) 0.7430(8) 0.9309(7) 0.110(4) Uani 1 1 d . . .
H16 H 0.8497 0.7579 0.9698 0.132 Uiso 1 1 calc R A .
C17 C 0.7737(4) 0.6549(6) 0.9205(5) 0.071(2) Uani 1 1 d . A .
C18 C 0.8239(4) 0.5780(6) 0.9623(4) 0.069(2) Uani 1 1 d . A .
C19 C 0.9004(4) 0.5783(8) 1.0222(5) 0.092(3) Uani 1 1 d . . .
H19 H 0.9268 0.6326 1.0429 0.111 Uiso 1 1 calc R A .
C20 C 0.9389(6) 0.5000 1.0522(8) 0.109(6) Uani 1 2 d S . .
H20 H 0.9921 0.5000 1.0937 0.131 Uiso 1 2 calc SR . .
N30 N 0.6489(4) 0.5000 0.9604(4) 0.0450(17) Uani 1 2 d SD . .
C30 C 0.6314(4) 0.5000 1.0181(5) 0.058(3) Uani 1 2 d SD A .
C31 C 0.6071(7) 0.5000 1.0893(7) 0.141(9) Uani 1 2 d SD . .
H31A H 0.5933 0.5600 1.0990 0.212 Uiso 0.50 1 calc PR A .
H31B H 0.6497 0.4784 1.1440 0.212 Uiso 0.50 1 calc PR . .
H31C H 0.5617 0.4615 1.0738 0.212 Uiso 0.50 1 calc PR . .
N40 N 0.7220(17) 0.3472(15) 0.438(2) 0.080(4) Uiso 0.25 1 d PD A 1
C40 C 0.7312(18) 0.313(2) 0.3814(19) 0.080(4) Uiso 0.25 1 d PD A 1
C41 C 0.772(2) 0.263(2) 0.341(2) 0.080(4) Uiso 0.25 1 d PD A 1
H41A H 0.8000 0.2140 0.3800 0.120 Uiso 0.25 1 calc PR A 1
H41B H 0.8099 0.3009 0.3307 0.120 Uiso 0.25 1 calc PR A 1
H41C H 0.7352 0.2393 0.2831 0.120 Uiso 0.25 1 calc PR A 1
N45 N 0.7500(17) 0.3502(15) 0.463(2) 0.080(4) Uiso 0.25 1 d PD A 2
C45 C 0.7646(17) 0.303(2) 0.418(2) 0.080(4) Uiso 0.25 1 d PD A 2
C46 C 0.814(2) 0.253(2) 0.389(3) 0.080(4) Uiso 0.25 1 d PD A 2
H46A H 0.8564 0.2259 0.4405 0.120 Uiso 0.25 1 calc PR A 2
H46B H 0.8366 0.2921 0.3582 0.120 Uiso 0.25 1 calc PR A 2
H46C H 0.7837 0.2068 0.3475 0.120 Uiso 0.25 1 calc PR A 2
B1 B 0.8183(7) 0.5000 0.2896(8) 0.083(5) Uani 1 2 d S . .
F11 F 0.8638(3) 0.5715(4) 0.3356(4) 0.1083(19) Uani 1 1 d . . .
F12 F 0.7518(4) 0.5000 0.2977(5) 0.118(3) Uani 1 2 d S . .
F13 F 0.8078(4) 0.5000 0.2017(4) 0.0812(19) Uani 1 2 d S . .
B2 B 0.9742(12) 0.7933(15) 0.9029(16) 0.086(7) Uani 0.50 1 d P C -1
F21 F 0.9135(5) 0.8357(6) 0.8360(7) 0.078(3) Uani 0.50 1 d P C -1
F22 F 0.9686(5) 0.8239(10) 0.9849(8) 0.112(4) Uani 0.50 1 d P C -1
F23 F 0.9632(8) 0.7078(6) 0.9025(8) 0.106(4) Uani 0.50 1 d P C -1
F24 F 1.0439(6) 0.8210(10) 0.9133(8) 0.126(5) Uani 0.50 1 d P C -1
C50 C 0.925(3) 0.732(3) 0.794(3) 0.123(16) Uiso 0.25 1 d PD D -2
H50A H 0.9705 0.7666 0.8321 0.184 Uiso 0.25 1 calc PR D -2
H50B H 0.9167 0.6843 0.8294 0.184 Uiso 0.25 1 calc PR D -2
H50C H 0.8788 0.7704 0.7715 0.184 Uiso 0.25 1 calc PR D -2
C51 C 0.937(3) 0.696(3) 0.721(3) 0.121(15) Uiso 0.25 1 d PD D -2
H51A H 0.9760 0.6489 0.7443 0.145 Uiso 0.25 1 calc PR D -2
H51B H 0.8874 0.6688 0.6795 0.145 Uiso 0.25 1 calc PR D -2
O52 O 0.9612(18) 0.7555(17) 0.6721(17) 0.100(8) Uiso 0.25 1 d PD D -2
C53 C 0.969(4) 0.723(3) 0.596(3) 0.15(2) Uiso 0.25 1 d PD D -2
H53A H 0.9223 0.6870 0.5613 0.176 Uiso 0.25 1 calc PR D -2
H53B H 1.0144 0.6833 0.6162 0.176 Uiso 0.25 1 calc PR D -2
C54 C 0.978(5) 0.785(4) 0.537(5) 0.21(3) Uiso 0.25 1 d PD D -2
H54A H 0.9730 0.7554 0.4820 0.310 Uiso 0.25 1 calc PR D -2
H54B H 1.0290 0.8130 0.5655 0.310 Uiso 0.25 1 calc PR D -2
H54C H 0.9370 0.8302 0.5220 0.310 Uiso 0.25 1 calc PR D -2
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'
B B 0.0013 0.0007 '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'
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
_geom_angle_publ_flag
N6 Ru1 N1 176.0(2) . . y
N6 Ru1 N30 89.4(3) . . y
N1 Ru1 N30 94.6(2) . . y
N6 Ru1 N5 79.67(16) . . y
N1 Ru1 N5 100.21(15) . . y
N30 Ru1 N5 91.36(15) . . y
N6 Ru1 N5 79.67(15) . 6_565 ?
N1 Ru1 N5 100.21(16) . 6_565 ?
N30 Ru1 N5 91.36(16) . 6_565 ?
N5 Ru1 N5 159.1(3) . 6_565 y
N6 Ru1 N3 97.5(3) . . y
N1 Ru1 N3 78.5(2) . . y
N30 Ru1 N3 173.1(3) . . y
N5 Ru1 N3 89.90(15) . . y
N5 Ru1 N3 89.89(15) 6_565 . ?
N4 Ag1 N4 29.4(6) 6_565 . ?
N4 Ag1 N2 158.7(3) 6_565 5_666 ?
N4 Ag1 N2 158.7(3) . 5_666 y
N4 Ag1 O1 107.2(3) 6_565 6_565 ?
N4 Ag1 O1 114.9(3) . 6_565 ?
N2 Ag1 O1 83.4(2) 5_666 6_565 ?
N4 Ag1 O1 114.9(3) 6_565 . y
N4 Ag1 O1 107.2(3) . . y
N2 Ag1 O1 83.4(2) 5_666 . y
O1 Ag1 O1 28.4(4) 6_565 . ?
N4 Ag1 N45 62.4(7) 6_565 . ?
N4 Ag1 N45 88.9(7) . . y
N2 Ag1 N45 97.3(7) 5_666 . y
O1 Ag1 N45 104.6(7) 6_565 . y
O1 Ag1 N45 132.9(8) . . y
N4 Ag1 N45 88.9(7) 6_565 6_565 ?
N4 Ag1 N45 62.4(7) . 6_565 ?
N2 Ag1 N45 97.3(7) 5_666 6_565 ?
O1 Ag1 N45 132.9(7) 6_565 6_565 ?
O1 Ag1 N45 104.7(7) . 6_565 ?
N45 Ag1 N45 121.8(14) . 6_565 ?
N4 Ag1 N40 73.9(7) 6_565 . ?
N4 Ag1 N40 100.0(7) . . y
N2 Ag1 N40 86.0(7) 5_666 . y
O1 Ag1 N40 102.1(7) 6_565 . y
O1 Ag1 N40 130.1(7) . . y
N45 Ag1 N40 11.4(9) . . ?
N45 Ag1 N40 125.0(7) 6_565 . ?
N4 Ag1 N40 100.0(7) 6_565 6_565 ?
N4 Ag1 N40 73.9(7) . 6_565 ?
N2 Ag1 N40 86.0(7) 5_666 6_565 ?
O1 Ag1 N40 130.1(7) 6_565 6_565 ?
O1 Ag1 N40 102.1(7) . 6_565 ?
N45 Ag1 N40 125.0(7) . 6_565 ?
N45 Ag1 N40 11.4(9) 6_565 6_565 ?
N40 Ag1 N40 125.6(14) . 6_565 ?
C1 N1 C4 115.5(7) . . ?
C1 N1 Ru1 129.1(5) . . ?
C4 N1 Ru1 115.4(5) . . ?
C2 N2 C3 114.3(7) . . ?
C2 N2 Ag1 125.6(5) . 5_666 ?
C3 N2 Ag1 120.1(6) . 5_666 ?
N1 C1 C2 122.1(7) . . ?
N1 C1 H1 119.0 . . ?
C2 C1 H1 119.0 . . ?
N2 C2 C1 123.8(7) . . ?
N2 C2 H2 118.1 . . ?
C1 C2 H2 118.1 . . ?
N2 C3 C4 123.0(8) . . ?
N2 C3 H3 118.5 . . ?
C4 C3 H3 118.5 . . ?
N1 C4 C3 121.4(7) . . ?
N1 C4 C5 114.4(7) . . ?
C3 C4 C5 122.1(7) . . ?
N1 C4 C5 114.4(7) . 6_565 ?
C3 C4 C5 122.1(7) . 6_565 ?
C5 C4 C5 29.6(8) . 6_565 ?
O1 C5 N3 129.9(9) . . ?
O1 C5 C4 119.3(9) . . ?
N3 C5 C4 107.0(7) . . ?
C5 O1 Ag1 134.6(7) . . ?
C5 N3 C5 34.0(9) 6_565 . ?
C5 N3 C6 115.0(7) 6_565 . ?
C5 N3 C6 115.0(7) . . ?
C5 N3 Ru1 116.1(5) 6_565 . ?
C5 N3 Ru1 116.1(5) . . ?
C6 N3 Ru1 126.4(5) . . ?
C7 C6 C7 116.8(12) . 6_565 ?
C7 C6 N3 115.8(6) . . ?
C7 C6 N3 115.8(6) 6_565 . ?
C7 C6 H6A 108.3 . . ?
C7 C6 H6A 87.2 6_565 . ?
N3 C6 H6A 108.3 . . ?
C7 C6 H6B 108.3 . . ?
C7 C6 H6B 20.2 6_565 . ?
N3 C6 H6B 108.3 . . ?
H6A C6 H6B 107.4 . . ?
C6 C7 C8 116.0(10) . . ?
C6 C7 H7A 108.3 . . ?
C8 C7 H7A 108.3 . . ?
C6 C7 H7B 108.3 . . ?
C8 C7 H7B 108.3 . . ?
H7A C7 H7B 107.4 . . ?
C12 N4 C8 119.4(7) . . ?
C12 N4 Ag1 119.6(7) . . ?
C8 N4 Ag1 120.8(4) . . ?
N4 C8 C9 119.5 . . ?
N4 C8 C7 117.3(7) . . ?
C9 C8 C7 123.1(7) . . ?
C10 C9 C8 119.5 . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C9 C10 C11 120.9(6) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 H10 119.5 . . ?
C12 C11 C10 118.1(11) . . ?
C12 C11 H11 121.0 . . ?
C10 C11 H11 121.0 . . ?
N4 C12 C11 122.6(13) . . ?
N4 C12 H12 118.7 . . ?
C11 C12 H12 118.7 . . ?
C13 N5 C17 117.0(7) . . ?
C13 N5 Ru1 128.3(5) . . ?
C17 N5 Ru1 114.5(6) . . ?
C18 N6 C18 122.1(9) 6_565 . ?
C18 N6 Ru1 119.0(4) 6_565 . ?
C18 N6 Ru1 119.0(4) . . ?
N5 C13 C14 123.5(8) . . ?
N5 C13 H13 118.3 . . ?
C14 C13 H13 118.3 . . ?
C15 C14 C13 119.9(11) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 119.1(10) . . ?
C14 C15 H15 120.5 . . ?
C16 C15 H15 120.5 . . ?
C15 C16 C17 120.0(9) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
N5 C17 C16 120.5(9) . . ?
N5 C17 C18 113.6(7) . . ?
C16 C17 C18 125.8(8) . . ?
N6 C18 C19 119.2(9) . . ?
N6 C18 C17 113.1(6) . . ?
C19 C18 C17 127.7(9) . . ?
C18 C19 C20 119.8(10) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
C19 C20 C19 119.9(10) 6_565 . ?
C19 C20 H20 120.0 6_565 . ?
C19 C20 H20 120.0 . . ?
C30 N30 Ru1 177.9(6) . . ?
N30 C30 C31 178.5(10) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C40 N40 Ag1 144(3) . . ?
N40 C40 C41 157(3) . . ?
C45 N45 Ag1 153(3) . . ?
N45 C45 C46 156(3) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
F12 B1 F13 112.4(10) . . ?
F12 B1 F11 110.0(7) . . ?
F13 B1 F11 110.9(7) . . ?
F12 B1 F11 110.0(7) . 6_565 ?
F13 B1 F11 110.9(7) . 6_565 ?
F11 B1 F11 102.2(10) . 6_565 ?
F23 B2 F24 117.5(15) . . ?
F23 B2 F21 112(2) . . ?
F24 B2 F21 114.0(17) . . ?
F23 B2 F22 104.2(16) . . ?
F24 B2 F22 103.3(19) . . ?
F21 B2 F22 103.3(14) . . ?
C51 C50 H50A 109.5 . . ?
C51 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C51 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
O52 C51 C50 116(4) . . ?
O52 C51 H51A 108.2 . . ?
C50 C51 H51A 108.2 . . ?
O52 C51 H51B 108.2 . . ?
C50 C51 H51B 108.2 . . ?
H51A C51 H51B 107.3 . . ?
C53 O52 C51 118(4) . . ?
O52 C53 C54 118(4) . . ?
O52 C53 H53A 107.9 . . ?
C54 C53 H53A 107.9 . . ?
O52 C53 H53B 107.9 . . ?
C54 C53 H53B 107.9 . . ?
H53A C53 H53B 107.2 . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
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
Ru1 N6 1.957(7) . y
Ru1 N1 2.042(6) . y
Ru1 N30 2.042(6) . y
Ru1 N5 2.049(6) . y
Ru1 N5 2.049(6) 6_565 ?
Ru1 N3 2.051(6) . y
Ag1 N4 2.184(6) 6_565 ?
Ag1 N4 2.184(7) . y
Ag1 N2 2.222(7) 5_666 y
Ag1 O1 2.543(7) 6_565 ?
Ag1 O1 2.543(7) . y
Ag1 N45 2.605(17) . y
Ag1 N45 2.605(17) 6_565 ?
Ag1 N40 2.611(17) . y
Ag1 N40 2.611(17) 6_565 ?
N1 C1 1.318(9) . ?
N1 C4 1.333(10) . ?
N2 C2 1.303(10) . ?
N2 C3 1.335(11) . ?
N2 Ag1 2.222(7) 5_666 ?
C1 C2 1.373(11) . ?
C1 H1 0.9500 . ?
C2 H2 0.9500 . ?
C3 C4 1.376(13) . ?
C3 H3 0.9500 . ?
C4 C5 1.554(12) . ?
C4 C5 1.554(12) 6_565 ?
C5 O1 1.256(12) . ?
C5 N3 1.361(12) . ?
N3 C5 1.361(12) 6_565 ?
N3 C6 1.468(10) . ?
C6 C7 1.299(12) . ?
C6 C7 1.299(12) 6_565 ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C7 C8 1.473(12) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
N4 C12 1.341(14) . ?
N4 C8 1.3582 . ?
C8 C9 1.4264 . ?
C9 C10 1.3334 . ?
C9 H9 0.9500 . ?
C10 C11 1.387(19) . ?
C10 H10 0.9500 . ?
C11 C12 1.374(19) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
N5 C13 1.332(10) . ?
N5 C17 1.378(9) . ?
N6 C18 1.354(9) 6_565 ?
N6 C18 1.354(9) . ?
C13 C14 1.393(12) . ?
C13 H13 0.9500 . ?
C14 C15 1.331(15) . ?
C14 H14 0.9500 . ?
C15 C16 1.378(17) . ?
C15 H15 0.9500 . ?
C16 C17 1.401(13) . ?
C16 H16 0.9500 . ?
C17 C18 1.482(12) . ?
C18 C19 1.368(10) . ?
C19 C20 1.375(12) . ?
C19 H19 0.9500 . ?
C20 C19 1.375(12) 6_565 ?
C20 H20 0.9500 . ?
N30 C30 1.127(10) . ?
C30 C31 1.424(12) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
N40 C40 1.143(13) . ?
C40 C41 1.438(14) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
N45 C45 1.144(13) . ?
C45 C46 1.441(14) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
B1 F12 1.318(14) . ?
B1 F13 1.375(14) . ?
B1 F11 1.396(9) . ?
B1 F11 1.396(9) 6_565 ?
B2 F23 1.32(3) . ?
B2 F24 1.32(2) . ?
B2 F21 1.38(2) . ?
B2 F22 1.47(3) . ?
C50 C51 1.42(3) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 O52 1.41(3) . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
O52 C53 1.41(3) . ?
C53 C54 1.41(3) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N6 Ru1 N1 C1 180.000(10) . . . . ?
N30 Ru1 N1 C1 0.000(3) . . . . ?
N5 Ru1 N1 C1 -92.21(16) . . . . ?
N5 Ru1 N1 C1 92.21(16) 6_565 . . . ?
N3 Ru1 N1 C1 180.000(2) . . . . ?
N6 Ru1 N1 C4 0.000(10) . . . . ?
N30 Ru1 N1 C4 180.000(2) . . . . ?
N5 Ru1 N1 C4 87.79(16) . . . . ?
N5 Ru1 N1 C4 -87.79(16) 6_565 . . . ?
N3 Ru1 N1 C4 0.000(2) . . . . ?
C4 N1 C1 C2 0.000(4) . . . . ?
Ru1 N1 C1 C2 180.000(3) . . . . ?
C3 N2 C2 C1 0.000(3) . . . . ?
Ag1 N2 C2 C1 180.000(2) 5_666 . . . ?
N1 C1 C2 N2 0.000(4) . . . . ?
C2 N2 C3 C4 0.000(4) . . . . ?
Ag1 N2 C3 C4 180.000(3) 5_666 . . . ?
C1 N1 C4 C3 0.000(4) . . . . ?
Ru1 N1 C4 C3 180.000(3) . . . . ?
C1 N1 C4 C5 163.7(4) . . . . ?
Ru1 N1 C4 C5 -16.3(4) . . . . ?
C1 N1 C4 C5 -163.7(4) . . . 6_565 ?
Ru1 N1 C4 C5 16.3(4) . . . 6_565 ?
N2 C3 C4 N1 0.000(4) . . . . ?
N2 C3 C4 C5 -162.4(5) . . . . ?
N2 C3 C4 C5 162.4(5) . . . 6_565 ?
N1 C4 C5 O1 -169.4(8) . . . . ?
C3 C4 C5 O1 -5.9(11) . . . . ?
C5 C4 C5 O1 93.7(9) 6_565 . . . ?
N1 C4 C5 N3 30.3(8) . . . . ?
C3 C4 C5 N3 -166.2(4) . . . . ?
C5 C4 C5 N3 -66.6(6) 6_565 . . . ?
N3 C5 O1 Ag1 18.4(18) . . . . ?
C4 C5 O1 Ag1 -136.7(7) . . . . ?
N4 Ag1 O1 C5 -20.7(12) 6_565 . . . ?
N4 Ag1 O1 C5 -51.2(11) . . . . ?
N2 Ag1 O1 C5 147.7(11) 5_666 . . . ?
O1 Ag1 O1 C5 59.4(11) 6_565 . . . ?
N45 Ag1 O1 C5 53.9(14) . . . . ?
N45 Ag1 O1 C5 -116.4(13) 6_565 . . . ?
N40 Ag1 O1 C5 68.7(14) . . . . ?
N40 Ag1 O1 C5 -127.9(12) 6_565 . . . ?
O1 C5 N3 C5 -89.4(12) . . . 6_565 ?
C4 C5 N3 C5 68.1(6) . . . 6_565 ?
O1 C5 N3 C6 8.8(14) . . . . ?
C4 C5 N3 C6 166.3(4) . . . . ?
O1 C5 N3 Ru1 172.0(10) . . . . ?
C4 C5 N3 Ru1 -30.5(8) . . . . ?
N6 Ru1 N3 C5 161.0(5) . . . 6_565 ?
N1 Ru1 N3 C5 -19.0(5) . . . 6_565 ?
N30 Ru1 N3 C5 -19.0(5) . . . 6_565 ?
N5 Ru1 N3 C5 -119.4(5) . . . 6_565 ?
N5 Ru1 N3 C5 81.5(5) 6_565 . . 6_565 ?
N6 Ru1 N3 C5 -161.0(5) . . . . ?
N1 Ru1 N3 C5 19.0(5) . . . . ?
N30 Ru1 N3 C5 19.0(5) . . . . ?
N5 Ru1 N3 C5 -81.5(5) . . . . ?
N5 Ru1 N3 C5 119.4(5) 6_565 . . . ?
N6 Ru1 N3 C6 0.000(3) . . . . ?
N1 Ru1 N3 C6 180.000(3) . . . . ?
N30 Ru1 N3 C6 180.000(9) . . . . ?
N5 Ru1 N3 C6 79.56(16) . . . . ?
N5 Ru1 N3 C6 -79.56(16) 6_565 . . . ?
C5 N3 C6 C7 89.9(9) 6_565 . . . ?
C5 N3 C6 C7 52.3(10) . . . . ?
Ru1 N3 C6 C7 -108.9(8) . . . . ?
C5 N3 C6 C7 -52.3(10) 6_565 . . 6_565 ?
C5 N3 C6 C7 -89.9(9) . . . 6_565 ?
Ru1 N3 C6 C7 108.9(8) . . . 6_565 ?
C7 C6 C7 C8 -21.5(19) 6_565 . . . ?
N3 C6 C7 C8 -163.3(8) . . . . ?
N4 Ag1 N4 C12 72.4(13) 6_565 . . . ?
N2 Ag1 N4 C12 -59.9(17) 5_666 . . . ?
O1 Ag1 N4 C12 153.3(12) 6_565 . . . ?
O1 Ag1 N4 C12 -177.3(12) . . . . ?
N45 Ag1 N4 C12 47.7(15) . . . . ?
N45 Ag1 N4 C12 -79.5(15) 6_565 . . . ?
N40 Ag1 N4 C12 44.9(15) . . . . ?
N40 Ag1 N4 C12 -79.4(14) 6_565 . . . ?
N4 Ag1 N4 C8 -104.4(9) 6_565 . . . ?
N2 Ag1 N4 C8 123.3(8) 5_666 . . . ?
O1 Ag1 N4 C8 -23.5(10) 6_565 . . . ?
O1 Ag1 N4 C8 5.9(10) . . . . ?
N45 Ag1 N4 C8 -129.1(11) . . . . ?
N45 Ag1 N4 C8 103.7(12) 6_565 . . . ?
N40 Ag1 N4 C8 -131.9(11) . . . . ?
N40 Ag1 N4 C8 103.8(12) 6_565 . . . ?
C12 N4 C8 C9 -0.5(16) . . . . ?
Ag1 N4 C8 C9 176.3(7) . . . . ?
C12 N4 C8 C7 -176.4(14) . . . . ?
Ag1 N4 C8 C7 0.4(14) . . . . ?
C6 C7 C8 N4 80.8(13) . . . . ?
C6 C7 C8 C9 -94.9(12) . . . . ?
N4 C8 C9 C10 0.0 . . . . ?
C7 C8 C9 C10 175.7(15) . . . . ?
C8 C9 C10 C11 0.8(18) . . . . ?
C9 C10 C11 C12 -1(3) . . . . ?
C8 N4 C12 C11 0(3) . . . . ?
Ag1 N4 C12 C11 -176.8(16) . . . . ?
C10 C11 C12 N4 1(3) . . . . ?
N6 Ru1 N5 C13 174.8(7) . . . . ?
N1 Ru1 N5 C13 -1.1(7) . . . . ?
N30 Ru1 N5 C13 -96.0(7) . . . . ?
N5 Ru1 N5 C13 166.6(7) 6_565 . . . ?
N3 Ru1 N5 C13 77.2(7) . . . . ?
N6 Ru1 N5 C17 0.3(5) . . . . ?
N1 Ru1 N5 C17 -175.7(5) . . . . ?
N30 Ru1 N5 C17 89.4(5) . . . . ?
N5 Ru1 N5 C17 -8.0(12) 6_565 . . . ?
N3 Ru1 N5 C17 -97.4(5) . . . . ?
N1 Ru1 N6 C18 -90.4(5) . . . 6_565 ?
N30 Ru1 N6 C18 89.6(5) . . . 6_565 ?
N5 Ru1 N6 C18 -178.9(6) . . . 6_565 ?
N5 Ru1 N6 C18 -1.9(5) 6_565 . . 6_565 ?
N3 Ru1 N6 C18 -90.4(5) . . . 6_565 ?
N1 Ru1 N6 C18 90.4(5) . . . . ?
N30 Ru1 N6 C18 -89.6(5) . . . . ?
N5 Ru1 N6 C18 1.9(5) . . . . ?
N5 Ru1 N6 C18 178.9(6) 6_565 . . . ?
N3 Ru1 N6 C18 90.4(5) . . . . ?
C17 N5 C13 C14 0.5(13) . . . . ?
Ru1 N5 C13 C14 -174.0(8) . . . . ?
N5 C13 C14 C15 -2.0(18) . . . . ?
C13 C14 C15 C16 2(2) . . . . ?
C14 C15 C16 C17 0(2) . . . . ?
C13 N5 C17 C16 1.0(11) . . . . ?
Ru1 N5 C17 C16 176.2(7) . . . . ?
C13 N5 C17 C18 -177.3(7) . . . . ?
Ru1 N5 C17 C18 -2.1(8) . . . . ?
C15 C16 C17 N5 -1.1(15) . . . . ?
C15 C16 C17 C18 177.0(10) . . . . ?
C18 N6 C18 C19 -1.7(12) 6_565 . . . ?
Ru1 N6 C18 C19 177.4(5) . . . . ?
C18 N6 C18 C17 177.3(5) 6_565 . . . ?
Ru1 N6 C18 C17 -3.5(8) . . . . ?
N5 C17 C18 N6 3.6(9) . . . . ?
C16 C17 C18 N6 -174.6(8) . . . . ?
N5 C17 C18 C19 -177.5(6) . . . . ?
C16 C17 C18 C19 4.3(13) . . . . ?
N6 C18 C19 C20 0.9(11) . . . . ?
C17 C18 C19 C20 -178.0(8) . . . . ?
C18 C19 C20 C19 -0.2(16) . . . 6_565 ?
N6 Ru1 N30 C30 180.00(11) . . . . ?
N1 Ru1 N30 C30 0.00(11) . . . . ?
N5 Ru1 N30 C30 100.35(19) . . . . ?
N5 Ru1 N30 C30 -100.35(19) 6_565 . . . ?
N3 Ru1 N30 C30 0.00(11) . . . . ?
Ru1 N30 C30 C31 0.0(3) . . . . ?
N4 Ag1 N40 C40 -105(4) 6_565 . . . ?
N4 Ag1 N40 C40 -91(4) . . . . ?
N2 Ag1 N40 C40 68(4) 5_666 . . . ?
O1 Ag1 N40 C40 151(4) 6_565 . . . ?
O1 Ag1 N40 C40 146(4) . . . . ?
N45 Ag1 N40 C40 -105(8) . . . . ?
N45 Ag1 N40 C40 -28(5) 6_565 . . . ?
N40 Ag1 N40 C40 -14(5) 6_565 . . . ?
Ag1 N40 C40 C41 115(9) . . . . ?
N4 Ag1 N45 C45 -117(5) 6_565 . . . ?
N4 Ag1 N45 C45 -104(5) . . . . ?
N2 Ag1 N45 C45 56(5) 5_666 . . . ?
O1 Ag1 N45 C45 141(5) 6_565 . . . ?
O1 Ag1 N45 C45 144(5) . . . . ?
N45 Ag1 N45 C45 -48(6) 6_565 . . . ?
N40 Ag1 N45 C45 62(7) . . . . ?
N40 Ag1 N45 C45 -34(6) 6_565 . . . ?
Ag1 N45 C45 C46 108(10) . . . . ?
C50 C51 O52 C53 -176(5) . . . . ?
C51 O52 C53 C54 167(6) . . . . ?
