#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:19:12 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179837 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/33/7013342.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_7013342
loop_
_publ_author_name
'Jamie F. Bickley'
'Annemarie A. La Pensée'
'Simon J. Higgins'
'Clare A. Stuart'
_publ_section_title
;
 Syntheses, characterisation and some ligand substitution chemistry of
 Ru(II)--diphosphine triflate complexes
;
_journal_issue                   24
_journal_name_full               'Dalton Trans.'
_journal_page_first              4663
_journal_page_last               4668
_journal_paper_doi               10.1039/b306552a
_journal_year                    2003
_chemical_formula_sum            'C61 H64 Cl2 F6 O12 P6 Ru S2'
_chemical_formula_weight         1525.16
_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                 106.126(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.540(2)
_cell_length_b                   13.8934(14)
_cell_length_c                   25.426(3)
_cell_measurement_temperature    213(2)
_cell_volume                     6631.0(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.951
_diffrn_measured_fraction_theta_max 0.951
_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  0.1586
_diffrn_reflns_av_sigmaI/netI    0.1580
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            31220
_diffrn_reflns_theta_full        22.49
_diffrn_reflns_theta_max         22.49
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.528
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.528
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3120
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.697
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.092
_refine_ls_extinction_coef       0.00031(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.869
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     828
_refine_ls_number_reflns         8644
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.869
_refine_ls_R_factor_all          0.1311
_refine_ls_R_factor_gt           0.0658
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0373P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1004
_refine_ls_wR_factor_ref         0.1167
_reflns_number_gt                4587
_reflns_number_total             8644
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b306552a.txt
_cod_data_source_block           cs189
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0373P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0373P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        6630.8(13)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7013342
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.6355(4) 0.1191(6) 0.1583(3) 0.035(2) Uani 1 d . . .
C2 C 0.6480(4) 0.1952(7) 0.1262(3) 0.048(2) Uani 1 d . . .
H2 H 0.6371 0.2587 0.1339 0.058 Uiso 1 calc R . .
C3 C 0.6761(5) 0.1767(8) 0.0836(4) 0.065(3) Uani 1 d . . .
H3 H 0.6826 0.2284 0.0617 0.078 Uiso 1 calc R . .
C4 C 0.6951(5) 0.0870(8) 0.0716(4) 0.062(3) Uani 1 d . . .
H4 H 0.7162 0.0766 0.0431 0.075 Uiso 1 calc R . .
C5 C 0.6818(5) 0.0109(7) 0.1033(4) 0.062(3) Uani 1 d . . .
H5 H 0.6928 -0.0523 0.0952 0.074 Uiso 1 calc R . .
C6 C 0.6527(5) 0.0267(6) 0.1465(3) 0.046(2) Uani 1 d . . .
H6 H 0.6447 -0.0254 0.1676 0.055 Uiso 1 calc R . .
C7 C 0.6272(4) 0.0399(5) 0.2591(3) 0.0323(19) Uani 1 d . . .
C8 C 0.6912(4) 0.0454(6) 0.3012(3) 0.040(2) Uani 1 d . . .
H8 H 0.7175 0.1030 0.3072 0.047 Uiso 1 calc R . .
C9 C 0.7155(5) -0.0344(6) 0.3339(3) 0.045(2) Uani 1 d . . .
H9 H 0.7585 -0.0302 0.3620 0.054 Uiso 1 calc R . .
C10 C 0.6784(5) -0.1187(6) 0.3262(4) 0.050(2) Uani 1 d . . .
H10 H 0.6951 -0.1722 0.3487 0.060 Uiso 1 calc R . .
C11 C 0.6153(5) -0.1241(6) 0.2843(4) 0.050(2) Uani 1 d . . .
H11 H 0.5896 -0.1822 0.2784 0.060 Uiso 1 calc R . .
C12 C 0.5896(4) -0.0462(5) 0.2514(3) 0.038(2) Uani 1 d . . .
H12 H 0.5465 -0.0513 0.2235 0.045 Uiso 1 calc R . .
C13 C 0.6425(4) 0.2446(5) 0.2527(3) 0.0288(18) Uani 1 d . . .
C14 C 0.7077(4) 0.2761(6) 0.2558(3) 0.0347(19) Uani 1 d . . .
H14A H 0.743(4) 0.232(5) 0.237(3) 0.05(2) Uiso 1 d . . .
H14B H 0.727(5) 0.347(7) 0.277(4) 0.07(3) Uiso 1 d . . .
C15 C 0.5947(4) 0.4295(5) 0.2742(3) 0.034(2) Uani 1 d . . .
C16 C 0.6175(4) 0.4661(6) 0.2315(3) 0.038(2) Uani 1 d . . .
H16 H 0.6179 0.4258 0.2019 0.045 Uiso 1 calc R . .
C17 C 0.6398(4) 0.5605(6) 0.2309(4) 0.045(2) Uani 1 d . . .
H17 H 0.6558 0.5834 0.2016 0.054 Uiso 1 calc R . .
C18 C 0.6384(5) 0.6200(6) 0.2732(5) 0.060(3) Uani 1 d . . .
H18 H 0.6522 0.6847 0.2725 0.071 Uiso 1 calc R . .
C19 C 0.6170(5) 0.5864(6) 0.3169(4) 0.059(3) Uani 1 d . . .
H19 H 0.6182 0.6276 0.3465 0.070 Uiso 1 calc R . .
C20 C 0.5935(5) 0.4920(5) 0.3180(3) 0.044(2) Uani 1 d . . .
H20 H 0.5771 0.4701 0.3473 0.052 Uiso 1 calc R . .
C21 C 0.5969(4) 0.2859(5) 0.3508(3) 0.0280(16) Uani 1 d . . .
C22 C 0.5474(4) 0.3010(6) 0.3793(3) 0.0349(19) Uani 1 d . . .
H22 H 0.4993 0.3105 0.3600 0.042 Uiso 1 calc R . .
C23 C 0.5674(4) 0.3025(6) 0.4359(3) 0.043(2) Uani 1 d . . .
H23 H 0.5329 0.3138 0.4547 0.051 Uiso 1 calc R . .
C24 C 0.6362(5) 0.2877(7) 0.4646(3) 0.052(2) Uani 1 d . . .
H24 H 0.6495 0.2892 0.5030 0.062 Uiso 1 calc R . .
C25 C 0.6870(5) 0.2704(6) 0.4369(3) 0.049(2) Uani 1 d . . .
H25 H 0.7345 0.2587 0.4567 0.059 Uiso 1 calc R . .
C26 C 0.6678(4) 0.2703(5) 0.3792(3) 0.038(2) Uani 1 d . . .
H26 H 0.7023 0.2599 0.3604 0.045 Uiso 1 calc R . .
C27 C 0.4170(4) -0.0345(5) 0.2612(3) 0.0315(19) Uani 1 d . . .
C28 C 0.3600(4) -0.0614(6) 0.2159(3) 0.038(2) Uani 1 d . . .
H28 H 0.3339 -0.0139 0.1924 0.046 Uiso 1 calc R . .
C29 C 0.3426(5) -0.1560(6) 0.2061(4) 0.047(2) Uani 1 d . . .
H29 H 0.3044 -0.1730 0.1759 0.056 Uiso 1 calc R . .
C30 C 0.3802(5) -0.2268(6) 0.2397(4) 0.049(2) Uani 1 d . . .
H30 H 0.3688 -0.2920 0.2323 0.058 Uiso 1 calc R . .
C31 C 0.4342(5) -0.2008(6) 0.2841(3) 0.049(2) Uani 1 d . . .
H31 H 0.4596 -0.2487 0.3078 0.059 Uiso 1 calc R . .
C32 C 0.4524(4) -0.1048(5) 0.2949(3) 0.038(2) Uani 1 d . . .
H32 H 0.4896 -0.0883 0.3259 0.045 Uiso 1 calc R . .
C33 C 0.4788(4) 0.0933(5) 0.3458(3) 0.0291(18) Uani 1 d . . .
C34 C 0.4372(4) 0.1079(5) 0.3811(3) 0.034(2) Uani 1 d . . .
H34 H 0.3888 0.1239 0.3668 0.041 Uiso 1 calc R . .
C35 C 0.4659(5) 0.0992(6) 0.4374(3) 0.045(2) Uani 1 d . . .
H35 H 0.4374 0.1110 0.4610 0.054 Uiso 1 calc R . .
C36 C 0.5364(6) 0.0733(6) 0.4583(3) 0.051(3) Uani 1 d . . .
H36 H 0.5559 0.0663 0.4963 0.062 Uiso 1 calc R . .
C37 C 0.5781(5) 0.0578(6) 0.4236(3) 0.043(2) Uani 1 d . . .
H37 H 0.6260 0.0395 0.4381 0.051 Uiso 1 calc R . .
C38 C 0.5507(4) 0.0687(5) 0.3680(3) 0.0342(19) Uani 1 d . . .
H38 H 0.5801 0.0596 0.3448 0.041 Uiso 1 calc R . .
C39 C 0.3560(4) 0.1557(5) 0.2599(3) 0.0300(18) Uani 1 d . . .
C40 C 0.2953(5) 0.1219(8) 0.2650(3) 0.036(2) Uani 1 d . . .
H40A H 0.253(5) 0.157(5) 0.257(3) 0.04(2) Uiso 1 d . . .
H40B H 0.290(5) 0.064(8) 0.276(4) 0.07(4) Uiso 1 d . . .
C41 C 0.3799(4) 0.3568(5) 0.2846(3) 0.0307(18) Uani 1 d . . .
C42 C 0.4165(4) 0.4443(6) 0.2850(3) 0.042(2) Uani 1 d . . .
H42 H 0.4391 0.4572 0.2576 0.051 Uiso 1 calc R . .
C43 C 0.4193(5) 0.5117(6) 0.3262(3) 0.046(2) Uani 1 d . . .
H43 H 0.4435 0.5703 0.3264 0.056 Uiso 1 calc R . .
C44 C 0.3869(5) 0.4929(7) 0.3662(4) 0.053(2) Uani 1 d . . .
H44 H 0.3892 0.5384 0.3940 0.064 Uiso 1 calc R . .
C45 C 0.3506(4) 0.4070(6) 0.3662(3) 0.047(2) Uani 1 d . . .
H45 H 0.3278 0.3937 0.3934 0.056 Uiso 1 calc R . .
C46 C 0.3490(4) 0.3415(6) 0.3249(3) 0.036(2) Uani 1 d . . .
H46 H 0.3249 0.2830 0.3251 0.044 Uiso 1 calc R . .
C47 C 0.2913(4) 0.3044(6) 0.1805(3) 0.0311(18) Uani 1 d . . .
C48 C 0.2763(4) 0.4026(6) 0.1711(3) 0.041(2) Uani 1 d . . .
H48 H 0.3095 0.4489 0.1895 0.049 Uiso 1 calc R . .
C49 C 0.2123(5) 0.4321(7) 0.1346(3) 0.046(2) Uani 1 d . . .
H49 H 0.2034 0.4979 0.1269 0.055 Uiso 1 calc R . .
C50 C 0.1623(5) 0.3644(7) 0.1099(3) 0.053(3) Uani 1 d . . .
H50 H 0.1182 0.3848 0.0870 0.063 Uiso 1 calc R . .
C51 C 0.1754(5) 0.2674(7) 0.1182(3) 0.047(2) Uani 1 d . . .
H51 H 0.1410 0.2219 0.1007 0.056 Uiso 1 calc R . .
C52 C 0.2410(4) 0.2375(6) 0.1531(3) 0.037(2) Uani 1 d . . .
H52 H 0.2511 0.1714 0.1580 0.044 Uiso 1 calc R . .
C53 C 0.3092(5) 0.1243(9) 0.0536(3) 0.071(3) Uani 1 d . . .
H53A H 0.2584 0.1218 0.0494 0.085 Uiso 1 calc R . .
H53B H 0.3222 0.0734 0.0320 0.085 Uiso 1 calc R . .
H53C H 0.3214 0.1862 0.0410 0.085 Uiso 1 calc R . .
C54 C 0.4810(5) 0.0901(6) 0.0454(3) 0.046(2) Uani 1 d . . .
H54A H 0.4979 0.1322 0.0213 0.055 Uiso 1 calc R . .
H54B H 0.4394 0.0552 0.0244 0.055 Uiso 1 calc R . .
H54C H 0.5183 0.0447 0.0626 0.055 Uiso 1 calc R . .
C55 C 0.4117(6) -0.0741(7) 0.1096(4) 0.064(3) Uani 1 d . . .
H55A H 0.4329 -0.1364 0.1211 0.077 Uiso 1 calc R . .
H55B H 0.4107 -0.0628 0.0717 0.077 Uiso 1 calc R . .
H55C H 0.3634 -0.0730 0.1129 0.077 Uiso 1 calc R . .
C56 C 0.5180(6) 0.3669(8) 0.0602(3) 0.069(3) Uani 1 d . . .
H56A H 0.5641 0.3790 0.0541 0.082 Uiso 1 calc R . .
H56B H 0.4869 0.4215 0.0473 0.082 Uiso 1 calc R . .
H56C H 0.4972 0.3095 0.0404 0.082 Uiso 1 calc R . .
C57 C 0.3511(5) 0.3890(6) 0.0649(3) 0.055(3) Uani 1 d . . .
H57A H 0.3108 0.3587 0.0390 0.065 Uiso 1 calc R . .
H57B H 0.3792 0.4236 0.0451 0.065 Uiso 1 calc R . .
H57C H 0.3341 0.4335 0.0878 0.065 Uiso 1 calc R . .
C58 C 0.4633(5) 0.5289(6) 0.1522(4) 0.057(3) Uani 1 d . . .
H58A H 0.4528 0.5768 0.1766 0.068 Uiso 1 calc R . .
H58B H 0.4308 0.5366 0.1159 0.068 Uiso 1 calc R . .
H58C H 0.5119 0.5370 0.1505 0.068 Uiso 1 calc R . .
C59 C 0.5471(5) 0.7487(7) 0.0985(4) 0.056(3) Uani 1 d . . .
C60 C 0.2534(7) -0.3799(7) 0.0124(4) 0.066(3) Uani 1 d . . .
C61 C 0.0990(7) -0.1728(9) -0.0227(5) 0.100(4) Uani 1 d . . .
H61A H 0.1442 -0.1914 -0.0294 0.120 Uiso 1 calc R . .
H61B H 0.1007 -0.1919 0.0148 0.120 Uiso 1 calc R . .
P1 P 0.59565(10) 0.14293(14) 0.21473(8) 0.0279(5) Uani 1 d . . .
P2 P 0.57266(10) 0.30222(14) 0.27661(7) 0.0261(4) Uani 1 d . . .
P3 P 0.44182(10) 0.09417(13) 0.27188(7) 0.0252(4) Uani 1 d . . .
P4 P 0.37465(10) 0.26814(13) 0.22986(8) 0.0279(5) Uani 1 d . . .
P5 P 0.43256(11) 0.11170(14) 0.13537(8) 0.0303(5) Uani 1 d . . .
P6 P 0.46661(11) 0.33176(14) 0.14694(8) 0.0324(5) Uani 1 d . . .
S1 S 0.62411(12) 0.69676(18) 0.09000(9) 0.0537(6) Uani 1 d . . .
S2 S 0.26094(12) -0.30345(17) 0.07089(9) 0.0488(6) Uani 1 d . . .
O1 O 0.3483(3) 0.1113(4) 0.1117(2) 0.0438(15) Uani 1 d . . .
O2 O 0.4627(3) 0.1459(4) 0.0864(2) 0.0461(15) Uani 1 d . . .
O3 O 0.4539(3) 0.0014(3) 0.1443(2) 0.0350(13) Uani 1 d . . .
O4 O 0.5268(3) 0.3530(4) 0.1186(2) 0.0461(15) Uani 1 d . . .
O5 O 0.3954(3) 0.3149(4) 0.0993(2) 0.0468(15) Uani 1 d . . .
O6 O 0.4546(3) 0.4310(4) 0.1732(2) 0.0369(13) Uani 1 d . . .
O7 O 0.6777(3) 0.7196(5) 0.1397(2) 0.0694(19) Uani 1 d . . .
O8 O 0.6318(3) 0.7419(5) 0.0405(2) 0.068(2) Uani 1 d . . .
O9 O 0.6076(4) 0.5944(5) 0.0846(4) 0.093(2) Uani 1 d . . .
O10 O 0.3108(5) -0.3515(6) 0.1145(3) 0.105(3) Uani 1 d . . .
O11 O 0.2803(4) -0.2129(5) 0.0525(3) 0.092(2) Uani 1 d . . .
O12 O 0.1922(4) -0.3034(6) 0.0766(3) 0.079(2) Uani 1 d . . .
F1 F 0.4888(3) 0.7348(5) 0.0589(3) 0.094(2) Uani 1 d . . .
F2 F 0.5329(3) 0.7269(4) 0.1453(2) 0.0779(17) Uani 1 d . . .
F3 F 0.5543(4) 0.8477(4) 0.1010(3) 0.094(2) Uani 1 d . . .
F4 F 0.3169(5) -0.3921(6) 0.0029(3) 0.123(3) Uani 1 d . . .
F5 F 0.2310(4) -0.4676(4) 0.0206(2) 0.090(2) Uani 1 d . . .
F6 F 0.2110(4) -0.3446(4) -0.0323(2) 0.102(2) Uani 1 d . . .
Ru1 Ru 0.47992(3) 0.20780(4) 0.21044(2) 0.02363(17) Uani 1 d . . .
Cl1 Cl 0.0306(2) -0.2331(4) -0.06779(14) 0.1462(19) Uani 1 d . . .
Cl2 Cl 0.0894(4) -0.0487(3) -0.02856(18) 0.176(2) Uani 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 0.0020 0.0020 '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'
P P 0.0900 0.0950 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1100 0.1240 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0080 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0140 0.0100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.4200 0.8360 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1320 0.1590 '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
C6 C1 C2 118.9(8) . . ?
C6 C1 P1 121.2(6) . . ?
C2 C1 P1 119.9(6) . . ?
C3 C2 C1 119.6(9) . . ?
C4 C3 C2 123.1(10) . . ?
C3 C4 C5 117.2(8) . . ?
C6 C5 C4 121.4(9) . . ?
C1 C6 C5 119.8(9) . . ?
C12 C7 C8 118.7(7) . . ?
C12 C7 P1 120.9(6) . . ?
C8 C7 P1 120.4(6) . . ?
C9 C8 C7 119.8(8) . . ?
C10 C9 C8 121.3(8) . . ?
C9 C10 C11 118.8(8) . . ?
C12 C11 C10 121.3(8) . . ?
C11 C12 C7 120.1(8) . . ?
C14 C13 P1 128.6(6) . . ?
C14 C13 P2 128.9(6) . . ?
P1 C13 P2 101.9(4) . . ?
C16 C15 C20 118.1(7) . . ?
C16 C15 P2 121.0(6) . . ?
C20 C15 P2 120.8(6) . . ?
C15 C16 C17 122.0(8) . . ?
C18 C17 C16 119.4(9) . . ?
C17 C18 C19 120.7(8) . . ?
C18 C19 C20 120.8(9) . . ?
C19 C20 C15 119.0(8) . . ?
C22 C21 C26 119.7(6) . . ?
C22 C21 P2 120.4(5) . . ?
C26 C21 P2 119.4(6) . . ?
C21 C22 C23 120.9(7) . . ?
C24 C23 C22 120.5(8) . . ?
C23 C24 C25 119.8(7) . . ?
C24 C25 C26 120.5(7) . . ?
C21 C26 C25 118.6(8) . . ?
C32 C27 C28 118.2(7) . . ?
C32 C27 P3 122.4(6) . . ?
C28 C27 P3 119.3(6) . . ?
C29 C28 C27 120.3(7) . . ?
C28 C29 C30 120.8(8) . . ?
C31 C30 C29 118.9(8) . . ?
C30 C31 C32 121.0(8) . . ?
C27 C32 C31 120.7(7) . . ?
C34 C33 C38 118.5(7) . . ?
C34 C33 P3 122.2(6) . . ?
C38 C33 P3 119.0(6) . . ?
C33 C34 C35 120.9(8) . . ?
C36 C35 C34 119.7(8) . . ?
C37 C36 C35 119.9(8) . . ?
C38 C37 C36 120.8(8) . . ?
C37 C38 C33 120.2(8) . . ?
C40 C39 P4 129.8(7) . . ?
C40 C39 P3 128.8(7) . . ?
P4 C39 P3 100.9(4) . . ?
C46 C41 C42 117.8(7) . . ?
C46 C41 P4 121.9(6) . . ?
C42 C41 P4 120.3(6) . . ?
C43 C42 C41 119.9(8) . . ?
C44 C43 C42 120.2(8) . . ?
C43 C44 C45 120.4(8) . . ?
C46 C45 C44 118.1(8) . . ?
C41 C46 C45 123.7(8) . . ?
C52 C47 C48 118.7(7) . . ?
C52 C47 P4 122.0(6) . . ?
C48 C47 P4 119.3(6) . . ?
C49 C48 C47 120.3(8) . . ?
C50 C49 C48 119.6(8) . . ?
C49 C50 C51 121.5(8) . . ?
C50 C51 C52 118.9(8) . . ?
C47 C52 C51 120.9(8) . . ?
F1 C59 F2 107.5(8) . . ?
F1 C59 F3 103.7(8) . . ?
F2 C59 F3 103.3(8) . . ?
F1 C59 S1 116.3(7) . . ?
F2 C59 S1 114.9(7) . . ?
F3 C59 S1 109.8(7) . . ?
F6 C60 F5 108.9(9) . . ?
F6 C60 F4 106.9(9) . . ?
F5 C60 F4 105.9(9) . . ?
F6 C60 S2 112.6(8) . . ?
F5 C60 S2 111.4(7) . . ?
F4 C60 S2 110.9(8) . . ?
Cl1 C61 Cl2 112.5(7) . . ?
C13 P1 C7 104.4(3) . . ?
C13 P1 C1 107.2(4) . . ?
C7 P1 C1 101.4(4) . . ?
C13 P1 Ru1 93.5(3) . . ?
C7 P1 Ru1 118.3(3) . . ?
C1 P1 Ru1 128.8(2) . . ?
C15 P2 C13 102.0(3) . . ?
C15 P2 C21 99.2(3) . . ?
C13 P2 C21 106.7(3) . . ?
C15 P2 Ru1 128.7(2) . . ?
C13 P2 Ru1 90.8(2) . . ?
C21 P2 Ru1 124.5(2) . . ?
C33 P3 C39 104.9(3) . . ?
C33 P3 C27 99.1(3) . . ?
C39 P3 C27 103.7(3) . . ?
C33 P3 Ru1 123.6(2) . . ?
C39 P3 Ru1 91.1(2) . . ?
C27 P3 Ru1 129.4(3) . . ?
C39 P4 C47 106.3(3) . . ?
C39 P4 C41 103.4(3) . . ?
C47 P4 C41 100.8(3) . . ?
C39 P4 Ru1 94.0(3) . . ?
C47 P4 Ru1 127.3(2) . . ?
C41 P4 Ru1 121.3(2) . . ?
O3 P5 O1 104.7(3) . . ?
O3 P5 O2 105.1(3) . . ?
O1 P5 O2 106.0(3) . . ?
O3 P5 Ru1 114.4(2) . . ?
O1 P5 Ru1 116.8(2) . . ?
O2 P5 Ru1 109.0(2) . . ?
O4 P6 O6 104.4(3) . . ?
O4 P6 O5 106.7(3) . . ?
O6 P6 O5 104.5(3) . . ?
O4 P6 Ru1 120.3(2) . . ?
O6 P6 Ru1 110.8(2) . . ?
O5 P6 Ru1 109.0(2) . . ?
O7 S1 O8 116.2(4) . . ?
O7 S1 O9 112.7(5) . . ?
O8 S1 O9 114.5(5) . . ?
O7 S1 C59 104.2(4) . . ?
O8 S1 C59 103.4(4) . . ?
O9 S1 C59 103.9(5) . . ?
O12 S2 O10 113.0(5) . . ?
O12 S2 O11 112.7(5) . . ?
O10 S2 O11 118.8(5) . . ?
O12 S2 C60 103.1(5) . . ?
O10 S2 C60 104.4(5) . . ?
O11 S2 C60 102.5(5) . . ?
C53 O1 P5 124.9(6) . . ?
C54 O2 P5 129.3(5) . . ?
C55 O3 P5 121.5(5) . . ?
C56 O4 P6 126.9(6) . . ?
C57 O5 P6 126.7(5) . . ?
C58 O6 P6 127.0(5) . . ?
C59 F1 F3 39.4(5) . . ?
C59 F1 F2 36.6(5) . . ?
F3 F1 F2 60.1(3) . . ?
C59 F2 F3 39.3(5) . . ?
C59 F2 F1 35.9(5) . . ?
F3 F2 F1 59.7(3) . . ?
C59 F3 F1 36.9(5) . . ?
C59 F3 F2 37.5(5) . . ?
F1 F3 F2 60.2(3) . . ?
C60 F4 F6 36.0(5) . . ?
C60 F4 F5 36.9(5) . . ?
F6 F4 F5 60.5(4) . . ?
C60 F5 F4 37.1(6) . . ?
C60 F5 F6 35.1(5) . . ?
F4 F5 F6 59.5(4) . . ?
C60 F6 F4 37.2(6) . . ?
C60 F6 F5 36.0(5) . . ?
F4 F6 F5 60.0(3) . . ?
P5 Ru1 P6 84.96(7) . . ?
P5 Ru1 P4 101.73(7) . . ?
P6 Ru1 P4 86.97(7) . . ?
P5 Ru1 P1 88.66(7) . . ?
P6 Ru1 P1 103.36(8) . . ?
P4 Ru1 P1 166.05(7) . . ?
P5 Ru1 P3 91.79(7) . . ?
P6 Ru1 P3 156.19(7) . . ?
P4 Ru1 P3 70.57(7) . . ?
P1 Ru1 P3 100.13(7) . . ?
P5 Ru1 P2 156.85(7) . . ?
P6 Ru1 P2 89.94(7) . . ?
P4 Ru1 P2 100.52(7) . . ?
P1 Ru1 P2 70.55(7) . . ?
P3 Ru1 P2 101.57(6) . . ?
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
C1 C6 1.382(11) . ?
C1 C2 1.398(11) . ?
C1 P1 1.842(8) . ?
C2 C3 1.368(12) . ?
C3 C4 1.359(14) . ?
C4 C5 1.397(14) . ?
C5 C6 1.386(12) . ?
C7 C12 1.390(11) . ?
C7 C8 1.403(10) . ?
C7 P1 1.821(7) . ?
C8 C9 1.388(11) . ?
C9 C10 1.363(12) . ?
C10 C11 1.388(12) . ?
C11 C12 1.376(11) . ?
C13 C14 1.329(10) . ?
C13 P1 1.809(7) . ?
C13 P2 1.826(8) . ?
C15 C16 1.380(11) . ?
C15 C20 1.419(11) . ?
C15 P2 1.825(8) . ?
C16 C17 1.383(11) . ?
C17 C18 1.363(13) . ?
C18 C19 1.373(14) . ?
C19 C20 1.391(12) . ?
C21 C22 1.375(10) . ?
C21 C26 1.391(10) . ?
C21 P2 1.827(7) . ?
C22 C23 1.385(10) . ?
C23 C24 1.355(11) . ?
C24 C25 1.388(12) . ?
C25 C26 1.408(11) . ?
C27 C32 1.355(10) . ?
C27 C28 1.414(10) . ?
C27 P3 1.852(8) . ?
C28 C29 1.363(11) . ?
C29 C30 1.375(12) . ?
C30 C31 1.363(11) . ?
C31 C32 1.389(11) . ?
C33 C34 1.384(11) . ?
C33 C38 1.402(10) . ?
C33 P3 1.816(7) . ?
C34 C35 1.389(11) . ?
C35 C36 1.380(13) . ?
C36 C37 1.375(13) . ?
C37 C38 1.374(10) . ?
C39 C40 1.316(11) . ?
C39 P4 1.820(7) . ?
C39 P3 1.832(8) . ?
C41 C46 1.344(11) . ?
C41 C42 1.409(11) . ?
C41 P4 1.840(7) . ?
C42 C43 1.395(11) . ?
C43 C44 1.364(12) . ?
C44 C45 1.389(12) . ?
C45 C46 1.381(11) . ?
C47 C52 1.390(10) . ?
C47 C48 1.403(11) . ?
C47 P4 1.829(7) . ?
C48 C49 1.397(11) . ?
C49 C50 1.375(13) . ?
C50 C51 1.377(13) . ?
C51 C52 1.405(10) . ?
C53 O1 1.475(9) . ?
C54 O2 1.421(9) . ?
C55 O3 1.468(9) . ?
C56 O4 1.461(9) . ?
C57 O5 1.467(9) . ?
C58 O6 1.487(9) . ?
C59 F1 1.308(10) . ?
C59 F2 1.329(11) . ?
C59 F3 1.383(10) . ?
C59 S1 1.735(11) . ?
C60 F6 1.301(11) . ?
C60 F5 1.331(11) . ?
C60 F4 1.338(13) . ?
C60 S2 1.801(10) . ?
C61 Cl1 1.717(12) . ?
C61 Cl2 1.735(13) . ?
P1 Ru1 2.409(2) . ?
P2 Ru1 2.4782(19) . ?
P3 Ru1 2.4764(19) . ?
P4 Ru1 2.396(2) . ?
P5 O3 1.588(5) . ?
P5 O1 1.589(5) . ?
P5 O2 1.591(6) . ?
P5 Ru1 2.303(2) . ?
P6 O4 1.568(6) . ?
P6 O6 1.577(6) . ?
P6 O5 1.588(5) . ?
P6 Ru1 2.325(2) . ?
S1 O7 1.435(6) . ?
S1 O8 1.452(6) . ?
S1 O9 1.457(7) . ?
S2 O12 1.391(7) . ?
S2 O10 1.423(7) . ?
S2 O11 1.430(7) . ?
F1 F3 2.117(9) . ?
F1 F2 2.127(8) . ?
F2 F3 2.126(9) . ?
F4 F6 2.120(12) . ?
F4 F5 2.131(11) . ?
F5 F6 2.141(8) . ?
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
C6 C1 C2 C3 0.7(12) . . . . ?
P1 C1 C2 C3 -178.5(7) . . . . ?
C1 C2 C3 C4 -2.2(15) . . . . ?
C2 C3 C4 C5 2.9(15) . . . . ?
C3 C4 C5 C6 -2.2(15) . . . . ?
C2 C1 C6 C5 0.0(12) . . . . ?
P1 C1 C6 C5 179.2(7) . . . . ?
C4 C5 C6 C1 0.8(14) . . . . ?
C12 C7 C8 C9 0.0(12) . . . . ?
P1 C7 C8 C9 -178.5(6) . . . . ?
C7 C8 C9 C10 -0.1(13) . . . . ?
C8 C9 C10 C11 0.4(14) . . . . ?
C9 C10 C11 C12 -0.7(14) . . . . ?
C10 C11 C12 C7 0.7(13) . . . . ?
C8 C7 C12 C11 -0.3(12) . . . . ?
P1 C7 C12 C11 178.2(7) . . . . ?
C20 C15 C16 C17 0.9(12) . . . . ?
P2 C15 C16 C17 -174.8(6) . . . . ?
C15 C16 C17 C18 -1.0(12) . . . . ?
C16 C17 C18 C19 1.8(14) . . . . ?
C17 C18 C19 C20 -2.7(15) . . . . ?
C18 C19 C20 C15 2.6(14) . . . . ?
C16 C15 C20 C19 -1.7(12) . . . . ?
P2 C15 C20 C19 174.1(7) . . . . ?
C26 C21 C22 C23 1.1(12) . . . . ?
P2 C21 C22 C23 -170.7(6) . . . . ?
C21 C22 C23 C24 -0.9(13) . . . . ?
C22 C23 C24 C25 -0.4(15) . . . . ?
C23 C24 C25 C26 1.5(14) . . . . ?
C22 C21 C26 C25 0.0(11) . . . . ?
P2 C21 C26 C25 171.8(6) . . . . ?
C24 C25 C26 C21 -1.3(13) . . . . ?
C32 C27 C28 C29 -1.5(13) . . . . ?
P3 C27 C28 C29 177.4(7) . . . . ?
C27 C28 C29 C30 -0.3(14) . . . . ?
C28 C29 C30 C31 1.7(14) . . . . ?
C29 C30 C31 C32 -1.3(14) . . . . ?
C28 C27 C32 C31 1.8(12) . . . . ?
P3 C27 C32 C31 -177.0(7) . . . . ?
C30 C31 C32 C27 -0.5(14) . . . . ?
C38 C33 C34 C35 0.6(11) . . . . ?
P3 C33 C34 C35 174.8(6) . . . . ?
C33 C34 C35 C36 -1.7(12) . . . . ?
C34 C35 C36 C37 1.1(13) . . . . ?
C35 C36 C37 C38 0.6(13) . . . . ?
C36 C37 C38 C33 -1.8(12) . . . . ?
C34 C33 C38 C37 1.2(11) . . . . ?
P3 C33 C38 C37 -173.3(6) . . . . ?
C46 C41 C42 C43 -0.4(11) . . . . ?
P4 C41 C42 C43 179.0(6) . . . . ?
C41 C42 C43 C44 0.4(13) . . . . ?
C42 C43 C44 C45 -0.5(14) . . . . ?
C43 C44 C45 C46 0.6(13) . . . . ?
C42 C41 C46 C45 0.6(12) . . . . ?
P4 C41 C46 C45 -178.8(6) . . . . ?
C44 C45 C46 C41 -0.7(13) . . . . ?
C52 C47 C48 C49 -0.5(12) . . . . ?
P4 C47 C48 C49 -178.5(6) . . . . ?
C47 C48 C49 C50 3.3(13) . . . . ?
C48 C49 C50 C51 -3.5(14) . . . . ?
C49 C50 C51 C52 0.8(14) . . . . ?
C48 C47 C52 C51 -2.2(11) . . . . ?
P4 C47 C52 C51 175.7(6) . . . . ?
C50 C51 C52 C47 2.1(12) . . . . ?
C14 C13 P1 C7 83.3(7) . . . . ?
P2 C13 P1 C7 -104.8(4) . . . . ?
C14 C13 P1 C1 -23.7(8) . . . . ?
P2 C13 P1 C1 148.2(3) . . . . ?
C14 C13 P1 Ru1 -156.3(7) . . . . ?
P2 C13 P1 Ru1 15.6(3) . . . . ?
C12 C7 P1 C13 161.9(7) . . . . ?
C8 C7 P1 C13 -19.7(7) . . . . ?
C12 C7 P1 C1 -86.9(7) . . . . ?
C8 C7 P1 C1 91.6(7) . . . . ?
C12 C7 P1 Ru1 59.7(7) . . . . ?
C8 C7 P1 Ru1 -121.8(6) . . . . ?
C6 C1 P1 C13 134.4(6) . . . . ?
C2 C1 P1 C13 -46.4(7) . . . . ?
C6 C1 P1 C7 25.2(7) . . . . ?
C2 C1 P1 C7 -155.6(6) . . . . ?
C6 C1 P1 Ru1 -116.3(6) . . . . ?
C2 C1 P1 Ru1 62.9(7) . . . . ?
C16 C15 P2 C13 40.0(7) . . . . ?
C20 C15 P2 C13 -135.6(6) . . . . ?
C16 C15 P2 C21 149.3(6) . . . . ?
C20 C15 P2 C21 -26.3(7) . . . . ?
C16 C15 P2 Ru1 -60.9(7) . . . . ?
C20 C15 P2 Ru1 123.4(6) . . . . ?
C14 C13 P2 C15 26.8(7) . . . . ?
P1 C13 P2 C15 -145.1(3) . . . . ?
C14 C13 P2 C21 -76.7(7) . . . . ?
P1 C13 P2 C21 111.4(4) . . . . ?
C14 C13 P2 Ru1 156.7(7) . . . . ?
P1 C13 P2 Ru1 -15.1(3) . . . . ?
C22 C21 P2 C15 89.8(7) . . . . ?
C26 C21 P2 C15 -82.0(7) . . . . ?
C22 C21 P2 C13 -164.7(6) . . . . ?
C26 C21 P2 C13 23.6(7) . . . . ?
C22 C21 P2 Ru1 -61.7(7) . . . . ?
C26 C21 P2 Ru1 126.5(5) . . . . ?
C34 C33 P3 C39 18.6(7) . . . . ?
C38 C33 P3 C39 -167.2(6) . . . . ?
C34 C33 P3 C27 -88.3(7) . . . . ?
C38 C33 P3 C27 86.0(6) . . . . ?
C34 C33 P3 Ru1 120.2(6) . . . . ?
C38 C33 P3 Ru1 -65.5(6) . . . . ?
C40 C39 P3 C33 -78.1(8) . . . . ?
P4 C39 P3 C33 109.9(4) . . . . ?
C40 C39 P3 C27 25.3(8) . . . . ?
P4 C39 P3 C27 -146.7(3) . . . . ?
C40 C39 P3 Ru1 156.5(7) . . . . ?
P4 C39 P3 Ru1 -15.5(3) . . . . ?
C32 C27 P3 C33 -28.9(8) . . . . ?
C28 C27 P3 C33 152.3(7) . . . . ?
C32 C27 P3 C39 -136.8(7) . . . . ?
C28 C27 P3 C39 44.3(7) . . . . ?
C32 C27 P3 Ru1 120.2(6) . . . . ?
C28 C27 P3 Ru1 -58.7(7) . . . . ?
C40 C39 P4 C47 -25.0(8) . . . . ?
P3 C39 P4 C47 146.9(3) . . . . ?
C40 C39 P4 C41 80.7(8) . . . . ?
P3 C39 P4 C41 -107.5(4) . . . . ?
C40 C39 P4 Ru1 -155.8(7) . . . . ?
P3 C39 P4 Ru1 16.0(3) . . . . ?
C52 C47 P4 C39 -29.5(7) . . . . ?
C48 C47 P4 C39 148.4(6) . . . . ?
C52 C47 P4 C41 -137.1(6) . . . . ?
C48 C47 P4 C41 40.8(7) . . . . ?
C52 C47 P4 Ru1 78.8(7) . . . . ?
C48 C47 P4 Ru1 -103.3(6) . . . . ?
C46 C41 P4 C39 -22.2(7) . . . . ?
C42 C41 P4 C39 158.4(6) . . . . ?
C46 C41 P4 C47 87.6(7) . . . . ?
C42 C41 P4 C47 -91.8(6) . . . . ?
C46 C41 P4 Ru1 -125.5(6) . . . . ?
C42 C41 P4 Ru1 55.1(7) . . . . ?
F1 C59 S1 O7 -177.5(7) . . . . ?
F2 C59 S1 O7 -50.6(8) . . . . ?
F3 C59 S1 O7 65.2(7) . . . . ?
F1 C59 S1 O8 60.6(8) . . . . ?
F2 C59 S1 O8 -172.6(7) . . . . ?
F3 C59 S1 O8 -56.7(7) . . . . ?
F1 C59 S1 O9 -59.2(9) . . . . ?
F2 C59 S1 O9 67.6(8) . . . . ?
F3 C59 S1 O9 -176.5(7) . . . . ?
F6 C60 S2 O12 63.8(9) . . . . ?
F5 C60 S2 O12 -58.8(9) . . . . ?
F4 C60 S2 O12 -176.5(7) . . . . ?
F6 C60 S2 O10 -177.9(8) . . . . ?
F5 C60 S2 O10 59.5(10) . . . . ?
F4 C60 S2 O10 -58.2(9) . . . . ?
F6 C60 S2 O11 -53.4(9) . . . . ?
F5 C60 S2 O11 -176.0(8) . . . . ?
F4 C60 S2 O11 66.3(8) . . . . ?
O3 P5 O1 C53 -101.5(7) . . . . ?
O2 P5 O1 C53 9.3(8) . . . . ?
Ru1 P5 O1 C53 130.9(7) . . . . ?
O3 P5 O2 C54 21.2(7) . . . . ?
O1 P5 O2 C54 -89.3(7) . . . . ?
Ru1 P5 O2 C54 144.2(6) . . . . ?
O1 P5 O3 C55 30.1(7) . . . . ?
O2 P5 O3 C55 -81.3(7) . . . . ?
Ru1 P5 O3 C55 159.3(6) . . . . ?
O6 P6 O4 C56 -103.2(7) . . . . ?
O5 P6 O4 C56 7.1(8) . . . . ?
Ru1 P6 O4 C56 131.8(7) . . . . ?
O4 P6 O5 C57 -76.0(7) . . . . ?
O6 P6 O5 C57 34.2(8) . . . . ?
Ru1 P6 O5 C57 152.6(6) . . . . ?
O4 P6 O6 C58 31.3(7) . . . . ?
O5 P6 O6 C58 -80.6(7) . . . . ?
Ru1 P6 O6 C58 162.2(6) . . . . ?
F2 C59 F1 F3 109.0(11) . . . . ?
S1 C59 F1 F3 -120.6(11) . . . . ?
F3 C59 F1 F2 -109.0(11) . . . . ?
S1 C59 F1 F2 130.4(11) . . . . ?
F1 C59 F2 F3 -109.3(11) . . . . ?
S1 C59 F2 F3 119.5(10) . . . . ?
F3 C59 F2 F1 109.3(11) . . . . ?
S1 C59 F2 F1 -131.2(11) . . . . ?
F3 F1 F2 C59 -43.8(8) . . . . ?
C59 F1 F2 F3 43.8(8) . . . . ?
F2 C59 F3 F1 -112.1(11) . . . . ?
S1 C59 F3 F1 124.9(10) . . . . ?
F1 C59 F3 F2 112.1(11) . . . . ?
S1 C59 F3 F2 -123.0(9) . . . . ?
F2 F1 F3 C59 40.5(8) . . . . ?
C59 F1 F3 F2 -40.5(8) . . . . ?
F1 F2 F3 C59 -39.9(7) . . . . ?
C59 F2 F3 F1 39.9(7) . . . . ?
F5 C60 F4 F6 116.0(11) . . . . ?
S2 C60 F4 F6 -123.1(10) . . . . ?
F6 C60 F4 F5 -116.0(11) . . . . ?
S2 C60 F4 F5 121.0(11) . . . . ?
F6 C60 F5 F4 114.6(12) . . . . ?
S2 C60 F5 F4 -120.6(12) . . . . ?
F4 C60 F5 F6 -114.6(12) . . . . ?
S2 C60 F5 F6 124.7(13) . . . . ?
F6 F4 F5 C60 -37.3(8) . . . . ?
C60 F4 F5 F6 37.3(8) . . . . ?
F5 C60 F6 F4 -114.0(12) . . . . ?
S2 C60 F6 F4 122.0(11) . . . . ?
F4 C60 F6 F5 114.0(12) . . . . ?
S2 C60 F6 F5 -124.0(13) . . . . ?
F5 F4 F6 C60 38.3(8) . . . . ?
C60 F4 F6 F5 -38.3(8) . . . . ?
F4 F5 F6 C60 -39.6(9) . . . . ?
C60 F5 F6 F4 39.6(9) . . . . ?
O3 P5 Ru1 P6 155.3(2) . . . . ?
O1 P5 Ru1 P6 -81.9(3) . . . . ?
O2 P5 Ru1 P6 38.1(2) . . . . ?
O3 P5 Ru1 P4 -118.9(2) . . . . ?
O1 P5 Ru1 P4 3.9(3) . . . . ?
O2 P5 Ru1 P4 123.9(2) . . . . ?
O3 P5 Ru1 P1 51.8(2) . . . . ?
O1 P5 Ru1 P1 174.5(3) . . . . ?
O2 P5 Ru1 P1 -65.5(2) . . . . ?
O3 P5 Ru1 P3 -48.3(2) . . . . ?
O1 P5 Ru1 P3 74.4(3) . . . . ?
O2 P5 Ru1 P3 -165.6(2) . . . . ?
O3 P5 Ru1 P2 77.3(3) . . . . ?
O1 P5 Ru1 P2 -159.9(3) . . . . ?
O2 P5 Ru1 P2 -39.9(3) . . . . ?
O4 P6 Ru1 P5 -86.9(3) . . . . ?
O6 P6 Ru1 P5 151.2(2) . . . . ?
O5 P6 Ru1 P5 36.8(3) . . . . ?
O4 P6 Ru1 P4 171.1(3) . . . . ?
O6 P6 Ru1 P4 49.1(2) . . . . ?
O5 P6 Ru1 P4 -65.3(3) . . . . ?
O4 P6 Ru1 P1 0.6(3) . . . . ?
O6 P6 Ru1 P1 -121.4(2) . . . . ?
O5 P6 Ru1 P1 124.2(3) . . . . ?
O4 P6 Ru1 P3 -169.8(3) . . . . ?
O6 P6 Ru1 P3 68.2(3) . . . . ?
O5 P6 Ru1 P3 -46.2(3) . . . . ?
O4 P6 Ru1 P2 70.5(3) . . . . ?
O6 P6 Ru1 P2 -51.4(2) . . . . ?
O5 P6 Ru1 P2 -165.8(3) . . . . ?
C39 P4 Ru1 P5 75.5(2) . . . . ?
C47 P4 Ru1 P5 -38.5(3) . . . . ?
C41 P4 Ru1 P5 -176.2(3) . . . . ?
C39 P4 Ru1 P6 159.7(2) . . . . ?
C47 P4 Ru1 P6 45.7(3) . . . . ?
C41 P4 Ru1 P6 -91.9(3) . . . . ?
C39 P4 Ru1 P1 -62.0(4) . . . . ?
C47 P4 Ru1 P1 -176.0(4) . . . . ?
C41 P4 Ru1 P1 46.4(4) . . . . ?
C39 P4 Ru1 P3 -12.3(2) . . . . ?
C47 P4 Ru1 P3 -126.3(3) . . . . ?
C41 P4 Ru1 P3 96.1(3) . . . . ?
C39 P4 Ru1 P2 -110.9(2) . . . . ?
C47 P4 Ru1 P2 135.0(3) . . . . ?
C41 P4 Ru1 P2 -2.6(3) . . . . ?
C13 P1 Ru1 P5 157.7(2) . . . . ?
C7 P1 Ru1 P5 -93.8(3) . . . . ?
C1 P1 Ru1 P5 42.4(3) . . . . ?
C13 P1 Ru1 P6 73.2(2) . . . . ?
C7 P1 Ru1 P6 -178.3(3) . . . . ?
C1 P1 Ru1 P6 -42.1(3) . . . . ?
C13 P1 Ru1 P4 -63.7(4) . . . . ?
C7 P1 Ru1 P4 44.8(4) . . . . ?
C1 P1 Ru1 P4 -179.1(4) . . . . ?
C13 P1 Ru1 P3 -110.7(2) . . . . ?
C7 P1 Ru1 P3 -2.2(3) . . . . ?
C1 P1 Ru1 P3 133.9(3) . . . . ?
C13 P1 Ru1 P2 -11.9(2) . . . . ?
C7 P1 Ru1 P2 96.6(3) . . . . ?
C1 P1 Ru1 P2 -127.3(3) . . . . ?
C33 P3 Ru1 P5 161.5(3) . . . . ?
C39 P3 Ru1 P5 -89.7(2) . . . . ?
C27 P3 Ru1 P5 19.1(3) . . . . ?
C33 P3 Ru1 P6 -116.9(3) . . . . ?
C39 P3 Ru1 P6 -8.1(3) . . . . ?
C27 P3 Ru1 P6 100.7(4) . . . . ?
C33 P3 Ru1 P4 -96.7(3) . . . . ?
C39 P3 Ru1 P4 12.2(2) . . . . ?
C27 P3 Ru1 P4 120.9(3) . . . . ?
C33 P3 Ru1 P1 72.6(3) . . . . ?
C39 P3 Ru1 P1 -178.6(2) . . . . ?
C27 P3 Ru1 P1 -69.8(3) . . . . ?
C33 P3 Ru1 P2 0.5(3) . . . . ?
C39 P3 Ru1 P2 109.4(2) . . . . ?
C27 P3 Ru1 P2 -141.9(3) . . . . ?
C15 P2 Ru1 P5 90.7(4) . . . . ?
C13 P2 Ru1 P5 -15.5(3) . . . . ?
C21 P2 Ru1 P5 -126.5(3) . . . . ?
C15 P2 Ru1 P6 13.7(3) . . . . ?
C13 P2 Ru1 P6 -92.5(2) . . . . ?
C21 P2 Ru1 P6 156.6(3) . . . . ?
C15 P2 Ru1 P4 -73.2(3) . . . . ?
C13 P2 Ru1 P4 -179.4(2) . . . . ?
C21 P2 Ru1 P4 69.7(3) . . . . ?
C15 P2 Ru1 P1 117.9(4) . . . . ?
C13 P2 Ru1 P1 11.7(2) . . . . ?
C21 P2 Ru1 P1 -99.2(3) . . . . ?
C15 P2 Ru1 P3 -145.3(3) . . . . ?
C13 P2 Ru1 P3 108.5(2) . . . . ?
C21 P2 Ru1 P3 -2.5(3) . . . . ?
