#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:44:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179260 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/80/4318088.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_4318088
loop_
_publ_author_name
'Matthew D. Hargreaves'
'Mary F. Mahon'
'Michael K. Whittlesey'
_publ_section_title
;
 Substitution Reactions of [Ru(dppe)(CO)(H2O)3][OTf]2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3137
_journal_page_last               3145
_journal_paper_doi               10.1021/ic020029z
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C37 H35 Cl6 F6 N3 O7 P2 Ru S2'
_chemical_formula_weight         1187.51
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 99.5870(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.2606(3)
_cell_length_b                   13.8259(3)
_cell_length_c                   29.5038(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     4931.45(18)
_computing_data_reduction
'Denzo and Scalepack (otwinowski & Minor, 1997)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       KappaCCD
_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  0.0329
_diffrn_reflns_av_sigmaI/netI    0.0486
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            20389
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    0.863
_exptl_absorpt_correction_T_max  1.03
_exptl_absorpt_correction_T_min  0.99
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.599
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Parallelepiped
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.744
_refine_diff_density_min         -0.727
_refine_diff_density_rms         0.180
_refine_ls_extinction_coef       0.0030(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     609
_refine_ls_number_reflns         9648
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0541
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.120
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; calc
  [1.00000+0.00000exp(0.00(sinθ/λ)²)]/
    [σ²(Fo²)+0.0000+1.6497*P+(0.0715P)²+0.0000sinθ/λ]
  where P = 0.00000Fo² + 1.00000Fc²
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1042
_refine_ls_wR_factor_ref         0.1191
_reflns_number_gt                7901
_reflns_number_total             9648
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020029z_1.cif
_cod_data_source_block           k00mkw2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-Scan'
changed to 'multi-scan' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4318088
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.104848(19) 0.211366(15) -0.176581(8) 0.02141(10) Uani 1 1 d . . .
P1 P 0.17509(6) 0.30331(5) -0.23038(3) 0.02252(18) Uani 1 1 d . . .
P2 P 0.27581(6) 0.23677(6) -0.13167(3) 0.02514(18) Uani 1 1 d . . .
S1 S -0.39276(7) 0.39485(6) -0.24248(3) 0.03245(19) Uani 1 1 d . . .
S2 S 0.01142(7) -0.24508(7) 0.00154(3) 0.0369(2) Uani 1 1 d . . .
N2 N 0.0252(2) 0.33253(18) -0.15464(8) 0.0264(5) Uani 1 1 d . . .
O1 O 0.20323(19) 0.02981(15) -0.20857(8) 0.0385(5) Uani 1 1 d . . .
O2 O -0.4535(2) 0.47501(17) -0.22845(9) 0.0520(7) Uani 1 1 d . . .
O3 O -0.2762(2) 0.3960(2) -0.22646(9) 0.0558(7) Uani 1 1 d . . .
O4 O -0.4448(2) 0.30213(16) -0.24051(9) 0.0426(6) Uani 1 1 d . . .
O5 O 0.0429(2) -0.3124(2) 0.03830(9) 0.0516(7) Uani 1 1 d . . .
O6 O 0.0895(2) -0.16796(19) -0.00024(10) 0.0587(7) Uani 1 1 d . . .
O7 O -0.1012(2) -0.2152(2) -0.00589(9) 0.0551(7) Uani 1 1 d . . .
N1 N -0.0484(2) 0.19095(17) -0.21994(8) 0.0251(5) Uani 1 1 d . . .
N3 N 0.0467(2) 0.13063(18) -0.12457(9) 0.0292(6) Uani 1 1 d . . .
F1 F 0.1233(3) -0.3447(2) -0.05018(10) 0.0951(10) Uani 1 1 d . . .
F2 F -0.0067(3) -0.2617(3) -0.08732(9) 0.0949(10) Uani 1 1 d . . .
F3 F -0.0434(3) -0.3922(3) -0.05113(12) 0.1225(14) Uani 1 1 d . . .
F4 F -0.35271(18) 0.49612(15) -0.31360(7) 0.0517(6) Uani 1 1 d . . .
F5 F -0.50759(19) 0.41977(18) -0.32507(8) 0.0602(6) Uani 1 1 d . . .
F6 F -0.3556(2) 0.34320(17) -0.32404(7) 0.0663(7) Uani 1 1 d . . .
Cl1 Cl -0.44567(9) 0.72508(7) -0.04074(4) 0.0543(3) Uani 1 1 d . . .
Cl2 Cl -0.32002(12) 0.80633(10) -0.10566(5) 0.0802(4) Uani 1 1 d . . .
Cl3 Cl -0.33341(10) 0.59930(9) -0.09554(4) 0.0666(3) Uani 1 1 d . . .
Cl4 Cl -0.11915(18) 0.74657(18) -0.45137(7) 0.0895(6) Uani 0.80 1 d PD A 1
Cl5 Cl -0.20027(18) 0.76198(18) -0.36490(6) 0.0892(6) Uani 0.80 1 d PD A 1
Cl6 Cl -0.20835(17) 0.58094(12) -0.41207(5) 0.0799(5) Uani 0.80 1 d PD A 1
Cl4' Cl -0.1767(7) 0.8452(7) -0.4029(6) 0.175(6) Uani 0.20 1 d PD B 2
Cl5' Cl -0.2643(8) 0.6998(11) -0.3671(3) 0.151(5) Uani 0.20 1 d PD C 2
Cl6' Cl -0.1069(9) 0.6624(16) -0.4273(6) 0.240(11) Uani 0.20 1 d PD D 2
C1 C 0.0940(2) 0.4107(2) -0.24884(10) 0.0244(6) Uani 1 1 d . . .
C2 C 0.1092(3) 0.4979(2) -0.22490(12) 0.0345(7) Uani 1 1 d . . .
H2 H 0.1653 0.5034 -0.1987 0.041 Uiso 1 1 calc R . .
C3 C 0.0422(3) 0.5767(2) -0.23942(13) 0.0423(9) Uani 1 1 d . . .
H3 H 0.0532 0.6362 -0.2233 0.051 Uiso 1 1 calc R . .
C4 C -0.0406(3) 0.5688(3) -0.27730(13) 0.0436(9) Uani 1 1 d . . .
H4 H -0.0856 0.6231 -0.2874 0.052 Uiso 1 1 calc R . .
C5 C -0.0573(3) 0.4828(3) -0.30005(13) 0.0445(9) Uani 1 1 d . . .
H5 H -0.1154 0.4772 -0.3256 0.053 Uiso 1 1 calc R . .
C6 C 0.0093(3) 0.4033(2) -0.28638(11) 0.0349(7) Uani 1 1 d . . .
H6 H -0.0029 0.3440 -0.3027 0.042 Uiso 1 1 calc R . .
C7 C 0.1896(3) 0.2448(2) -0.28428(10) 0.0258(6) Uani 1 1 d . . .
C8 C 0.2610(3) 0.2839(2) -0.31161(12) 0.0376(8) Uani 1 1 d . . .
H8 H 0.3039 0.3393 -0.3013 0.045 Uiso 1 1 calc R . .
C9 C 0.2698(4) 0.2430(3) -0.35335(13) 0.0490(10) Uani 1 1 d . . .
H9 H 0.3192 0.2698 -0.3716 0.059 Uiso 1 1 calc R . .
C10 C 0.2068(3) 0.1626(3) -0.36892(12) 0.0469(9) Uani 1 1 d . . .
H10 H 0.2139 0.1339 -0.3975 0.056 Uiso 1 1 calc R . .
C11 C 0.1340(3) 0.1245(2) -0.34291(11) 0.0357(7) Uani 1 1 d . . .
H11 H 0.0893 0.0707 -0.3540 0.043 Uiso 1 1 calc R . .
C12 C 0.1258(3) 0.1645(2) -0.30052(10) 0.0287(7) Uani 1 1 d . . .
H12 H 0.0764 0.1371 -0.2824 0.034 Uiso 1 1 calc R . .
C13 C 0.3139(2) 0.3437(2) -0.20452(10) 0.0295(7) Uani 1 1 d . . .
H13A H 0.3584 0.3573 -0.2289 0.035 Uiso 1 1 calc R . .
H13B H 0.3090 0.4038 -0.1867 0.035 Uiso 1 1 calc R . .
C14 C 0.3690(3) 0.2631(2) -0.17262(11) 0.0303(7) Uani 1 1 d . . .
H14A H 0.4419 0.2848 -0.1562 0.036 Uiso 1 1 calc R . .
H14B H 0.3800 0.2045 -0.1907 0.036 Uiso 1 1 calc R . .
C15 C 0.2903(3) 0.3390(2) -0.09203(10) 0.0270(6) Uani 1 1 d . . .
C16 C 0.2066(3) 0.3584(2) -0.06682(10) 0.0315(7) Uani 1 1 d . . .
H16 H 0.1410 0.3206 -0.0716 0.038 Uiso 1 1 calc R . .
C17 C 0.2184(3) 0.4328(2) -0.03452(11) 0.0381(8) Uani 1 1 d . . .
H17 H 0.1615 0.4453 -0.0170 0.046 Uiso 1 1 calc R . .
C18 C 0.3134(3) 0.4884(2) -0.02817(12) 0.0425(9) Uani 1 1 d . . .
H18 H 0.3212 0.5400 -0.0066 0.051 Uiso 1 1 calc R . .
C19 C 0.3968(3) 0.4695(2) -0.05289(11) 0.0385(8) Uani 1 1 d . . .
H19 H 0.4620 0.5078 -0.0481 0.046 Uiso 1 1 calc R . .
C20 C 0.3864(3) 0.3954(2) -0.08457(11) 0.0335(7) Uani 1 1 d . . .
H20 H 0.4445 0.3827 -0.1014 0.040 Uiso 1 1 calc R . .
C21 C 0.3275(3) 0.1324(2) -0.09728(11) 0.0320(7) Uani 1 1 d . . .
C22 C 0.3868(3) 0.0601(3) -0.11499(13) 0.0457(9) Uani 1 1 d . . .
H22 H 0.4077 0.0678 -0.1444 0.055 Uiso 1 1 calc R . .
C23 C 0.4156(4) -0.0236(3) -0.08970(15) 0.0604(12) Uani 1 1 d . . .
H23 H 0.4558 -0.0732 -0.1019 0.072 Uiso 1 1 calc R . .
C24 C 0.3866(4) -0.0346(3) -0.04754(15) 0.0625(12) Uani 1 1 d . . .
H24 H 0.4077 -0.0914 -0.0302 0.075 Uiso 1 1 calc R . .
C25 C 0.3265(4) 0.0363(3) -0.02973(14) 0.0628(12) Uani 1 1 d . . .
H25 H 0.3051 0.0275 -0.0005 0.075 Uiso 1 1 calc R . .
C26 C 0.2973(3) 0.1200(3) -0.05431(12) 0.0446(9) Uani 1 1 d . . .
H26 H 0.2567 0.1690 -0.0419 0.053 Uiso 1 1 calc R . .
C27 C -0.1292(3) 0.1769(2) -0.24371(11) 0.0285(7) Uani 1 1 d . . .
C28 C -0.2324(3) 0.1570(3) -0.27475(12) 0.0406(8) Uani 1 1 d . . .
H28A H -0.2918 0.1965 -0.2659 0.061 Uiso 1 1 calc R . .
H28B H -0.2511 0.0883 -0.2728 0.061 Uiso 1 1 calc R . .
H28C H -0.2235 0.1727 -0.3063 0.061 Uiso 1 1 calc R . .
C29 C -0.0319(3) 0.3913(2) -0.14590(10) 0.0295(7) Uani 1 1 d . . .
C30 C -0.1057(3) 0.4668(3) -0.13426(13) 0.0500(10) Uani 1 1 d . . .
H30A H -0.1150 0.4598 -0.1021 0.075 Uiso 1 1 calc R . .
H30B H -0.1779 0.4610 -0.1541 0.075 Uiso 1 1 calc R . .
H30C H -0.0739 0.5304 -0.1388 0.075 Uiso 1 1 calc R . .
C31 C 0.0248(3) 0.0766(2) -0.09863(11) 0.0358(8) Uani 1 1 d . . .
C32 C -0.0008(5) 0.0042(3) -0.06590(14) 0.0657(13) Uani 1 1 d . . .
H32A H -0.0540 -0.0424 -0.0818 0.099 Uiso 1 1 calc R . .
H32B H -0.0327 0.0361 -0.0415 0.099 Uiso 1 1 calc R . .
H32C H 0.0672 -0.0296 -0.0524 0.099 Uiso 1 1 calc R . .
C33 C 0.1668(2) 0.0991(2) -0.19694(10) 0.0266(6) Uani 1 1 d . . .
C34 C -0.4020(3) 0.4138(2) -0.30415(12) 0.0379(8) Uani 1 1 d . . .
C35 C 0.0215(4) -0.3140(4) -0.04931(16) 0.0628(12) Uani 1 1 d . . .
C36 C -0.3289(3) 0.7116(3) -0.06712(13) 0.0446(9) Uani 1 1 d . . .
H36 H -0.2616 0.7132 -0.0428 0.054 Uiso 1 1 calc R . .
C37 C -0.2180(3) 0.7127(3) -0.41865(14) 0.0632(13) Uani 1 1 d D A 1
H37 H -0.2931 0.7301 -0.4355 0.076 Uiso 1 1 calc R A 1
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
S S 0.1246 0.1234 '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
C33 Ru1 N2 176.20(11) . . ?
C33 Ru1 N1 93.59(11) . . ?
N2 Ru1 N1 83.13(9) . . ?
C33 Ru1 N3 89.95(11) . . ?
N2 Ru1 N3 88.12(9) . . ?
N1 Ru1 N3 89.74(10) . . ?
C33 Ru1 P1 91.04(9) . . ?
N2 Ru1 P1 91.06(7) . . ?
N1 Ru1 P1 93.06(7) . . ?
N3 Ru1 P1 176.96(7) . . ?
C33 Ru1 P2 86.12(9) . . ?
N2 Ru1 P2 97.24(7) . . ?
N1 Ru1 P2 177.54(7) . . ?
N3 Ru1 P2 92.71(7) . . ?
P1 Ru1 P2 84.49(3) . . ?
C1 P1 C7 103.27(13) . . ?
C1 P1 C13 107.42(14) . . ?
C7 P1 C13 106.27(14) . . ?
C1 P1 Ru1 114.03(9) . . ?
C7 P1 Ru1 117.26(10) . . ?
C13 P1 Ru1 107.97(10) . . ?
C21 P2 C15 105.65(14) . . ?
C21 P2 C14 109.15(15) . . ?
C15 P2 C14 105.31(14) . . ?
C21 P2 Ru1 113.46(11) . . ?
C15 P2 Ru1 117.87(10) . . ?
C14 P2 Ru1 104.93(10) . . ?
O3 S1 O2 115.75(18) . . ?
O3 S1 O4 115.03(17) . . ?
O2 S1 O4 114.98(15) . . ?
O3 S1 C34 102.78(16) . . ?
O2 S1 C34 103.18(15) . . ?
O4 S1 C34 102.39(16) . . ?
O7 S2 O5 115.95(17) . . ?
O7 S2 O6 114.42(18) . . ?
O5 S2 O6 114.34(17) . . ?
O7 S2 C35 103.0(2) . . ?
O5 S2 C35 103.9(2) . . ?
O6 S2 C35 102.9(2) . . ?
C29 N2 Ru1 169.6(3) . . ?
C27 N1 Ru1 177.5(3) . . ?
C31 N3 Ru1 169.8(3) . . ?
C6 C1 C2 119.1(3) . . ?
C6 C1 P1 118.5(2) . . ?
C2 C1 P1 122.3(2) . . ?
C3 C2 C1 120.0(3) . . ?
C2 C3 C4 120.3(3) . . ?
C5 C4 C3 119.7(3) . . ?
C4 C5 C6 120.9(4) . . ?
C5 C6 C1 119.9(3) . . ?
C8 C7 C12 118.7(3) . . ?
C8 C7 P1 119.7(2) . . ?
C12 C7 P1 121.5(2) . . ?
C9 C8 C7 120.5(3) . . ?
C8 C9 C10 120.3(3) . . ?
C11 C10 C9 119.9(3) . . ?
C10 C11 C12 120.2(3) . . ?
C11 C12 C7 120.3(3) . . ?
C14 C13 P1 108.4(2) . . ?
C13 C14 P2 106.7(2) . . ?
C16 C15 C20 119.1(3) . . ?
C16 C15 P2 119.4(2) . . ?
C20 C15 P2 121.5(2) . . ?
C17 C16 C15 120.4(3) . . ?
C18 C17 C16 119.5(3) . . ?
C19 C18 C17 120.4(3) . . ?
C20 C19 C18 120.5(3) . . ?
C19 C20 C15 120.1(3) . . ?
C22 C21 C26 119.4(3) . . ?
C22 C21 P2 121.2(3) . . ?
C26 C21 P2 119.1(2) . . ?
C23 C22 C21 120.0(3) . . ?
C24 C23 C22 120.2(4) . . ?
C23 C24 C25 120.4(4) . . ?
C26 C25 C24 120.2(4) . . ?
C25 C26 C21 119.9(3) . . ?
N1 C27 C28 178.8(4) . . ?
N2 C29 C30 179.5(4) . . ?
N3 C31 C32 177.8(4) . . ?
O1 C33 Ru1 178.4(3) . . ?
F6 C34 F4 107.1(3) . . ?
F6 C34 F5 107.2(3) . . ?
F4 C34 F5 106.7(3) . . ?
F6 C34 S1 112.2(2) . . ?
F4 C34 S1 112.0(2) . . ?
F5 C34 S1 111.3(2) . . ?
F1 C35 F3 107.3(4) . . ?
F1 C35 F2 105.8(4) . . ?
F3 C35 F2 109.6(4) . . ?
F1 C35 S2 112.5(4) . . ?
F3 C35 S2 109.8(3) . . ?
F2 C35 S2 111.8(3) . . ?
Cl2 C36 Cl1 110.7(2) . . ?
Cl2 C36 Cl3 110.5(2) . . ?
Cl1 C36 Cl3 110.0(2) . . ?
Cl5 C37 Cl4 114.6(3) . . ?
Cl5 C37 Cl6 107.6(2) . . ?
Cl4 C37 Cl6 106.8(2) . . ?
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 C33 1.870(3) . ?
Ru1 N2 2.095(2) . ?
Ru1 N1 2.109(3) . ?
Ru1 N3 2.115(3) . ?
Ru1 P1 2.3092(8) . ?
Ru1 P2 2.3126(8) . ?
P1 C1 1.819(3) . ?
P1 C7 1.819(3) . ?
P1 C13 1.833(3) . ?
P2 C21 1.816(3) . ?
P2 C15 1.824(3) . ?
P2 C14 1.833(3) . ?
S1 O3 1.429(3) . ?
S1 O2 1.434(2) . ?
S1 O4 1.438(2) . ?
S1 C34 1.823(3) . ?
S2 O7 1.423(3) . ?
S2 O5 1.433(3) . ?
S2 O6 1.440(3) . ?
S2 C35 1.799(4) . ?
N2 C29 1.131(4) . ?
O1 C33 1.135(4) . ?
N1 C27 1.131(4) . ?
N3 C31 1.133(4) . ?
F1 C35 1.322(5) . ?
F2 C35 1.331(6) . ?
F3 C35 1.338(6) . ?
F4 C34 1.339(4) . ?
F5 C34 1.341(4) . ?
F6 C34 1.317(4) . ?
Cl1 C36 1.749(4) . ?
Cl2 C36 1.749(4) . ?
Cl3 C36 1.761(4) . ?
Cl4 C37 1.735(5) . ?
Cl5 C37 1.707(4) . ?
Cl6 C37 1.833(5) . ?
C1 C6 1.390(4) . ?
C1 C2 1.394(4) . ?
C2 C3 1.388(5) . ?
C3 C4 1.383(5) . ?
C4 C5 1.364(5) . ?
C5 C6 1.389(5) . ?
C7 C8 1.395(4) . ?
C7 C12 1.396(4) . ?
C8 C9 1.376(5) . ?
C9 C10 1.387(5) . ?
C10 C11 1.375(5) . ?
C11 C12 1.386(4) . ?
C13 C14 1.541(4) . ?
C15 C16 1.390(4) . ?
C15 C20 1.399(4) . ?
C16 C17 1.394(4) . ?
C17 C18 1.382(5) . ?
C18 C19 1.377(5) . ?
C19 C20 1.378(5) . ?
C21 C22 1.389(5) . ?
C21 C26 1.389(5) . ?
C22 C23 1.390(5) . ?
C23 C24 1.358(6) . ?
C24 C25 1.382(6) . ?
C25 C26 1.380(5) . ?
C27 C28 1.459(4) . ?
C29 C30 1.459(4) . ?
C31 C32 1.461(5) . ?
