Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2007

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data_k06107
_database_code_depnum_ccdc_archive 'CCDC 633747'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C49 H42 Cl N3 P2 Ru, C4 H8 O'
_chemical_formula_sum            'C53 H50 Cl N3 O P2 Ru'
_chemical_formula_weight         943.42
_chemical_absolute_configuration rmad

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'
P P 0.1023 0.0942 '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'
Ru Ru -1.2594 0.8363 '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'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'

_cell_length_a                   19.3194(9)
_cell_length_b                   20.3567(9)
_cell_length_c                   22.6289(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     8899.5(7)
_cell_formula_units_Z            8
_cell_measurement_temperature    150(1)
_cell_measurement_reflns_used    38283
_cell_measurement_theta_min      2.7
_cell_measurement_theta_max      25.1

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.408
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3904
_exptl_absorpt_coefficient_mu    0.528
# Absorption correction

_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.692
_exptl_absorpt_correction_T_max  0.782
_exptl_absorpt_process_details   
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      150(1)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker-Nonius KappaCCD'
_diffrn_measurement_method       '\f scans and \w scans with \k offsets'
_diffrn_detector_area_resol_mean 9
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            38283
_diffrn_reflns_av_R_equivalents  0.1752
_diffrn_reflns_av_sigmaI/netI    0.2180
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.69
_diffrn_reflns_theta_max         25.07
_reflns_number_total             15602
_reflns_number_gt                8162
_reflns_threshold_expression     I>2\s(I)

_computing_data_collection       'Collect (Nonius B.V., 1997-2002)'
_computing_cell_refinement       'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_data_reduction        Denzo-SMN
_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_computing_structure_refinement  'SHELXTL V6.1(Sheldrick, 2001)'
_computing_molecular_graphics    'SHELXTL V6.1'
_computing_publication_material  'SHELXTL V6.1'


_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0338P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.08(4)
_refine_ls_number_reflns         15602
_refine_ls_number_parameters     1105
_refine_ls_number_restraints     11
_refine_ls_R_factor_all          0.1681
_refine_ls_R_factor_gt           0.0694
_refine_ls_wR_factor_ref         0.1513
_refine_ls_wR_factor_gt          0.1160
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_restrained_S_all      0.970
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ru1A Ru 0.28323(5) 0.42250(4) 0.84251(3) 0.0287(2) Uani 1 1 d . B .
H1RU H 0.365(4) 0.399(4) 0.844(4) 0.034 Uiso 1 1 d . . .
Cl1A Cl 0.16590(14) 0.48431(12) 0.86308(12) 0.0392(7) Uani 1 1 d . . .
P1A P 0.29761(14) 0.43610(12) 0.74525(11) 0.0276(6) Uani 1 1 d . . .
P2A P 0.25395(15) 0.31723(14) 0.82677(11) 0.0300(7) Uani 1 1 d . . .
N1A N 0.2773(5) 0.4068(4) 0.9389(3) 0.042(2) Uani 1 1 d . . .
H1AA H 0.2425 0.4335 0.9528 0.050 Uiso 1 1 calc R A 1
H1AB H 0.2630 0.3642 0.9446 0.050 Uiso 1 1 calc R A 1
N2A N 0.3451(5) 0.6223(4) 0.8840(4) 0.044(3) Uani 1 1 d . B .
H2AB H 0.3452 0.6651 0.8789 0.053 Uiso 1 1 calc R . .
N3A N 0.3236(4) 0.5158(4) 0.8703(3) 0.033(2) Uani 1 1 d . . .
C1A C 0.3491(6) 0.3681(5) 0.7103(4) 0.027(3) Uani 1 1 d . . .
C2A C 0.4203(6) 0.3764(5) 0.7023(4) 0.033(3) Uani 1 1 d . . .
H2AA H 0.4404 0.4178 0.7115 0.039 Uiso 1 1 calc R . .
C3A C 0.4625(5) 0.3270(5) 0.6815(4) 0.031(2) Uani 1 1 d . . .
H3AA H 0.5105 0.3345 0.6758 0.037 Uiso 1 1 calc R . .
C4A C 0.4331(5) 0.2649(5) 0.6689(4) 0.031(3) Uani 1 1 d . . .
C5A C 0.4736(6) 0.2124(5) 0.6473(4) 0.036(3) Uani 1 1 d . . .
H5AA H 0.5217 0.2190 0.6410 0.043 Uiso 1 1 calc R . .
C6A C 0.4455(6) 0.1522(5) 0.6349(4) 0.035(3) Uani 1 1 d . . .
H6AA H 0.4737 0.1178 0.6200 0.042 Uiso 1 1 calc R . .
C7A C 0.3738(6) 0.1416(5) 0.6447(4) 0.034(3) Uani 1 1 d . . .
H7AA H 0.3541 0.0997 0.6371 0.041 Uiso 1 1 calc R . .
C8A C 0.3336(5) 0.1912(4) 0.6647(4) 0.027(2) Uani 1 1 d . . .
H8AA H 0.2856 0.1833 0.6703 0.033 Uiso 1 1 calc R . .
C9A C 0.3596(5) 0.2539(5) 0.6776(4) 0.028(2) Uani 1 1 d . . .
C10A C 0.3181(5) 0.3075(5) 0.6981(4) 0.029(3) Uani 1 1 d . . .
C11A C 0.2088(6) 0.2971(4) 0.7580(4) 0.028(2) Uani 1 1 d . . .
C12A C 0.1342(5) 0.2885(5) 0.7591(5) 0.032(3) Uani 1 1 d . . .
H12A H 0.1104 0.2884 0.7959 0.039 Uiso 1 1 calc R . .
C13A C 0.0978(6) 0.2804(5) 0.7075(5) 0.039(3) Uani 1 1 d . . .
H13A H 0.0489 0.2759 0.7101 0.047 Uiso 1 1 calc R . .
C14A C 0.1283(5) 0.2784(5) 0.6514(5) 0.035(3) Uani 1 1 d . . .
C15A C 0.0912(6) 0.2697(5) 0.5987(5) 0.039(3) Uani 1 1 d . . .
H15A H 0.0425 0.2637 0.6004 0.047 Uiso 1 1 calc R . .
C16A C 0.1229(7) 0.2695(5) 0.5457(5) 0.048(3) Uani 1 1 d . . .
H16A H 0.0971 0.2612 0.5107 0.058 Uiso 1 1 calc R . .
C17A C 0.1957(7) 0.2820(5) 0.5425(5) 0.052(4) Uani 1 1 d . . .
H17A H 0.2176 0.2855 0.5051 0.062 Uiso 1 1 calc R . .
C18A C 0.2334(6) 0.2889(5) 0.5921(4) 0.039(3) Uani 1 1 d . . .
H18A H 0.2820 0.2946 0.5887 0.046 Uiso 1 1 calc R . .
C19A C 0.2029(5) 0.2880(4) 0.6501(4) 0.029(2) Uani 1 1 d . . .
C20A C 0.2408(5) 0.2980(5) 0.7033(4) 0.026(3) Uani 1 1 d . . .
C21A C 0.3480(5) 0.5094(5) 0.7275(4) 0.028(2) Uani 1 1 d . . .
C22A C 0.4093(5) 0.5211(5) 0.7607(4) 0.031(3) Uani 1 1 d . . .
H22A H 0.4255 0.4883 0.7872 0.038 Uiso 1 1 calc R . .
C23A C 0.4458(6) 0.5791(6) 0.7553(4) 0.042(3) Uani 1 1 d . . .
H23A H 0.4877 0.5850 0.7766 0.051 Uiso 1 1 calc R . .
C24A C 0.4212(6) 0.6295(6) 0.7183(5) 0.042(3) Uani 1 1 d . . .
H24A H 0.4454 0.6699 0.7152 0.051 Uiso 1 1 calc R . .
C25A C 0.3611(6) 0.6188(5) 0.6867(5) 0.047(3) Uani 1 1 d . . .
H25A H 0.3444 0.6525 0.6614 0.057 Uiso 1 1 calc R . .
C26A C 0.3242(5) 0.5602(5) 0.6908(4) 0.034(3) Uani 1 1 d . . .
H26A H 0.2828 0.5546 0.6687 0.041 Uiso 1 1 calc R . .
C31A C 0.2253(6) 0.4420(4) 0.6924(4) 0.031(3) Uani 1 1 d . . .
C32A C 0.2366(5) 0.4421(5) 0.6316(5) 0.040(3) Uani 1 1 d . . .
H32A H 0.2825 0.4400 0.6167 0.048 Uiso 1 1 calc R . .
C33A C 0.1813(7) 0.4454(5) 0.5927(5) 0.045(3) Uani 1 1 d . . .
H33A H 0.1897 0.4459 0.5514 0.054 Uiso 1 1 calc R . .
C34A C 0.1143(6) 0.4478(5) 0.6134(5) 0.043(3) Uani 1 1 d . . .
H34A H 0.0765 0.4475 0.5866 0.052 Uiso 1 1 calc R . .
C35A C 0.1031(6) 0.4507(5) 0.6721(5) 0.043(3) Uani 1 1 d . . .
H35A H 0.0569 0.4554 0.6859 0.052 Uiso 1 1 calc R . .
C36A C 0.1569(5) 0.4469(5) 0.7136(5) 0.033(3) Uani 1 1 d . . .
H36A H 0.1474 0.4476 0.7548 0.039 Uiso 1 1 calc R . .
C41A C 0.1966(6) 0.2829(5) 0.8835(4) 0.035(3) Uani 1 1 d . . .
C42A C 0.1420(6) 0.3217(5) 0.9045(5) 0.042(3) Uani 1 1 d . . .
H42A H 0.1356 0.3644 0.8886 0.050 Uiso 1 1 calc R . .
C43A C 0.0968(6) 0.2995(6) 0.9482(5) 0.048(3) Uani 1 1 d . . .
H43A H 0.0605 0.3272 0.9617 0.058 Uiso 1 1 calc R . .
C44A C 0.1043(7) 0.2379(6) 0.9717(5) 0.051(3) Uani 1 1 d . . .
H44A H 0.0733 0.2227 1.0013 0.061 Uiso 1 1 calc R . .
C45A C 0.1573(6) 0.1984(6) 0.9520(4) 0.041(3) Uani 1 1 d . . .
H45A H 0.1626 0.1557 0.9683 0.050 Uiso 1 1 calc R . .
C46A C 0.2035(6) 0.2199(5) 0.9086(4) 0.036(3) Uani 1 1 d . . .
H46A H 0.2399 0.1918 0.8960 0.043 Uiso 1 1 calc R . .
C51A C 0.3213(5) 0.2548(4) 0.8286(4) 0.028(2) Uani 1 1 d . . .
C52A C 0.3093(6) 0.1920(5) 0.8042(4) 0.037(3) Uani 1 1 d . . .
H52A H 0.2675 0.1844 0.7832 0.044 Uiso 1 1 calc R . .
C53A C 0.3573(6) 0.1402(6) 0.8100(5) 0.045(3) Uani 1 1 d . . .
H53A H 0.3491 0.0987 0.7923 0.054 Uiso 1 1 calc R . .
C54A C 0.4160(6) 0.1520(5) 0.8421(5) 0.047(3) Uani 1 1 d . . .
H54A H 0.4482 0.1173 0.8478 0.057 Uiso 1 1 calc R . .
C55A C 0.4298(6) 0.2123(5) 0.8662(6) 0.053(3) Uani 1 1 d . . .
H55A H 0.4713 0.2190 0.8879 0.064 Uiso 1 1 calc R . .
C56A C 0.3831(5) 0.2637(5) 0.8589(5) 0.041(3) Uani 1 1 d . . .
H56A H 0.3937 0.3057 0.8750 0.049 Uiso 1 1 calc R . .
C61A C 0.3372(15) 0.4172(15) 0.9772(10) 0.043(9) Uiso 0.52(4) 1 d P B 1
H61A H 0.3204 0.4302 1.0168 0.051 Uiso 0.52(4) 1 calc PR B 1
H61B H 0.3619 0.3749 0.9816 0.051 Uiso 0.52(4) 1 calc PR B 1
C61* C 0.3074(15) 0.4465(15) 0.9846(9) 0.034(9) Uiso 0.48(4) 1 d P B 2
H61C' H 0.3118 0.4215 1.0219 0.041 Uiso 0.48(4) 1 calc PR B 2
H61D' H 0.2794 0.4864 0.9918 0.041 Uiso 0.48(4) 1 calc PR B 2
C62A C 0.3853(7) 0.4657(6) 0.9569(6) 0.069(4) Uani 1 1 d . B 1
H62A H 0.4215 0.4415 0.9349 0.083 Uiso 1 1 calc R B 1
H62B H 0.4080 0.4835 0.9927 0.083 Uiso 1 1 calc R B 1
C63A C 0.3672(6) 0.5237(5) 0.9196(5) 0.035(3) Uani 1 1 d . B .
C64A C 0.3789(6) 0.5872(6) 0.9278(5) 0.041(3) Uani 1 1 d . . .
H64A H 0.4061 0.6057 0.9586 0.049 Uiso 1 1 calc R B .
C65A C 0.3118(5) 0.5773(5) 0.8507(5) 0.037(3) Uani 1 1 d . B .
H65A H 0.2836 0.5877 0.8175 0.045 Uiso 1 1 calc R . .
Ru1B Ru 0.20982(5) 0.83450(4) 0.86327(3) 0.0284(2) Uani 1 1 d . . .
H2RU H 0.126(4) 0.857(4) 0.859(4) 0.034 Uiso 1 1 d . . .
Cl1B Cl 0.32886(14) 0.77744(12) 0.88817(11) 0.0358(7) Uani 1 1 d . . .
P1B P 0.20252(15) 0.81591(12) 0.76606(11) 0.0265(6) Uani 1 1 d . . .
P2B P 0.23764(13) 0.93942(12) 0.84451(11) 0.0282(6) Uani 1 1 d . . .
N1B N 0.2084(5) 0.8491(4) 0.9598(3) 0.036(2) Uani 1 1 d . . .
H1BA H 0.2425 0.8224 0.9749 0.044 Uiso 1 1 calc R . .
H1BB H 0.2227 0.8916 0.9662 0.044 Uiso 1 1 calc R . .
N2B N 0.1453(5) 0.6374(4) 0.9092(4) 0.047(3) Uani 1 1 d . . .
H2BB H 0.1463 0.5943 0.9067 0.056 Uiso 1 1 calc R . .
N3B N 0.1681(4) 0.7414(4) 0.8928(3) 0.031(2) Uani 1 1 d . . .
C1B C 0.1559(5) 0.8813(4) 0.7251(4) 0.025(2) Uani 1 1 d . . .
C2B C 0.0841(6) 0.8749(5) 0.7132(4) 0.035(3) Uani 1 1 d . . .
H2BA H 0.0613 0.8352 0.7234 0.043 Uiso 1 1 calc R . .
C3B C 0.0470(5) 0.9242(5) 0.6876(4) 0.035(3) Uani 1 1 d . . .
H3BA H -0.0009 0.9175 0.6803 0.043 Uiso 1 1 calc R . .
C4B C 0.0764(5) 0.9837(5) 0.6717(4) 0.029(2) Uani 1 1 d . . .
C5B C 0.0388(5) 1.0339(5) 0.6428(4) 0.035(3) Uani 1 1 d . . .
H5BA H -0.0090 1.0275 0.6348 0.042 Uiso 1 1 calc R . .
C6B C 0.0699(6) 1.0913(5) 0.6261(4) 0.036(3) Uani 1 1 d . . .
H6BA H 0.0438 1.1249 0.6072 0.043 Uiso 1 1 calc R . .
C7B C 0.1408(6) 1.1004(5) 0.6371(5) 0.039(3) Uani 1 1 d . . .
H7BA H 0.1625 1.1402 0.6253 0.047 Uiso 1 1 calc R . .
C8B C 0.1792(5) 1.0528(5) 0.6646(4) 0.033(3) Uani 1 1 d . . .
H8BA H 0.2267 1.0610 0.6723 0.040 Uiso 1 1 calc R . .
C9B C 0.1502(5) 0.9919(5) 0.6819(4) 0.024(2) Uani 1 1 d . . .
C10B C 0.1881(5) 0.9397(5) 0.7092(4) 0.027(3) Uani 1 1 d . . .
C12B C 0.3633(5) 0.9621(5) 0.7871(4) 0.030(3) Uani 1 1 d . . .
H12B H 0.3812 0.9634 0.8261 0.036 Uiso 1 1 calc R . .
C13B C 0.4076(6) 0.9671(5) 0.7406(4) 0.033(3) Uani 1 1 d . . .
H13B H 0.4557 0.9725 0.7479 0.039 Uiso 1 1 calc R . .
C14B C 0.3837(5) 0.9643(5) 0.6821(4) 0.026(2) Uani 1 1 d . . .
C15B C 0.4293(6) 0.9699(4) 0.6333(4) 0.033(3) Uani 1 1 d . . .
H15B H 0.4775 0.9749 0.6403 0.040 Uiso 1 1 calc R . .
C16B C 0.4056(6) 0.9684(5) 0.5763(4) 0.041(3) Uani 1 1 d . . .
H16B H 0.4371 0.9720 0.5442 0.049 Uiso 1 1 calc R . .
C17B C 0.3341(6) 0.9616(5) 0.5656(4) 0.034(3) Uani 1 1 d . . .
H17B H 0.3172 0.9618 0.5261 0.041 Uiso 1 1 calc R . .
C18B C 0.2890(6) 0.9546(4) 0.6117(4) 0.032(2) Uani 1 1 d . . .
H18B H 0.2412 0.9484 0.6035 0.038 Uiso 1 1 calc R . .
C19B C 0.3111(5) 0.9563(5) 0.6713(4) 0.029(3) Uani 1 1 d . . .
C20B C 0.2656(5) 0.9510(4) 0.7213(4) 0.029(3) Uani 1 1 d . . .
C21B C 0.1534(5) 0.7398(5) 0.7509(4) 0.030(3) Uani 1 1 d . . .
C22B C 0.0880(5) 0.7318(5) 0.7787(4) 0.032(3) Uani 1 1 d . . .
H22B H 0.0675 0.7672 0.7997 0.038 Uiso 1 1 calc R . .
C23B C 0.0543(5) 0.6714(5) 0.7748(4) 0.036(3) Uani 1 1 d . . .
H23B H 0.0098 0.6667 0.7922 0.044 Uiso 1 1 calc R . .
C24B C 0.0836(6) 0.6186(5) 0.7466(5) 0.038(3) Uani 1 1 d . . .
H24B H 0.0596 0.5779 0.7445 0.046 Uiso 1 1 calc R . .
C25B C 0.1479(6) 0.6253(5) 0.7215(5) 0.042(3) Uani 1 1 d . . .
H25B H 0.1690 0.5885 0.7030 0.051 Uiso 1 1 calc R . .
C26B C 0.1831(6) 0.6859(5) 0.7227(4) 0.035(3) Uani 1 1 d . . .
H26B H 0.2271 0.6900 0.7044 0.043 Uiso 1 1 calc R . .
C31B C 0.2769(5) 0.8046(4) 0.7168(4) 0.021(2) Uani 1 1 d . . .
C32B C 0.2671(5) 0.7985(4) 0.6565(4) 0.031(3) Uani 1 1 d . . .
H32B H 0.2212 0.7982 0.6414 0.037 Uiso 1 1 calc R . .
C33B C 0.3220(6) 0.7927(4) 0.6171(4) 0.033(3) Uani 1 1 d . . .
H33B H 0.3140 0.7876 0.5759 0.040 Uiso 1 1 calc R . .
C34B C 0.3901(5) 0.7946(5) 0.6401(5) 0.036(3) Uani 1 1 d . . .
H34B H 0.4286 0.7920 0.6141 0.043 Uiso 1 1 calc R . .
C35B C 0.4004(6) 0.8001(5) 0.6988(5) 0.033(3) Uani 1 1 d . . .
H35B H 0.4462 0.8014 0.7140 0.040 Uiso 1 1 calc R . .
C36B C 0.3437(6) 0.8039(5) 0.7376(4) 0.030(3) Uani 1 1 d . . .
H36B H 0.3518 0.8060 0.7790 0.036 Uiso 1 1 calc R . .
C41B C 0.2883(6) 0.9787(4) 0.9045(4) 0.027(2) Uani 1 1 d . . .
C42B C 0.3372(6) 0.9410(5) 0.9362(4) 0.037(3) Uani 1 1 d . . .
H42B H 0.3461 0.8971 0.9242 0.044 Uiso 1 1 calc R . .
C43B C 0.3724(5) 0.9663(6) 0.9838(4) 0.039(3) Uani 1 1 d . . .
H43B H 0.4057 0.9400 1.0037 0.047 Uiso 1 1 calc R . .
C44B C 0.3596(6) 1.0304(6) 1.0033(5) 0.043(3) Uani 1 1 d . . .
H44B H 0.3825 1.0475 1.0371 0.052 Uiso 1 1 calc R . .
C45B C 0.3133(6) 1.0679(6) 0.9724(4) 0.043(3) Uani 1 1 d . . .
H45B H 0.3057 1.1120 0.9845 0.052 Uiso 1 1 calc R . .
C46B C 0.2766(6) 1.0434(5) 0.9235(4) 0.033(3) Uani 1 1 d . . .
H46B H 0.2442 1.0705 0.9034 0.039 Uiso 1 1 calc R . .
C51B C 0.1681(5) 1.0007(5) 0.8381(4) 0.034(3) Uani 1 1 d . . .
C52B C 0.1761(6) 1.0592(4) 0.8063(4) 0.032(3) Uani 1 1 d . . .
H52B H 0.2169 1.0658 0.7836 0.038 Uiso 1 1 calc R . .
C53B C 0.1257(6) 1.1075(5) 0.8073(5) 0.046(3) Uani 1 1 d . . .
H53B H 0.1323 1.1470 0.7856 0.055 Uiso 1 1 calc R . .
C54B C 0.0661(6) 1.0987(5) 0.8395(5) 0.048(3) Uani 1 1 d . . .
H54B H 0.0307 1.1311 0.8393 0.058 Uiso 1 1 calc R . .
C55B C 0.0585(6) 1.0418(6) 0.8725(5) 0.049(3) Uani 1 1 d . . .
H55B H 0.0183 1.0368 0.8962 0.059 Uiso 1 1 calc R . .
C11B C 0.2910(5) 0.9548(4) 0.7785(3) 0.018(2) Uani 1 1 d . . .
C56B C 0.1061(6) 0.9928(5) 0.8723(5) 0.042(3) Uani 1 1 d . . .
H56B H 0.0984 0.9538 0.8944 0.050 Uiso 1 1 calc R . .
C61B C 0.1464(6) 0.8391(5) 0.9978(5) 0.043(3) Uani 1 1 d . . .
H61C H 0.1268 0.8823 1.0088 0.052 Uiso 1 1 calc R . .
H61D H 0.1605 0.8164 1.0347 0.052 Uiso 1 1 calc R . .
C62B C 0.0905(6) 0.7979(5) 0.9660(4) 0.038(3) Uani 1 1 d . . .
H62C H 0.0542 0.7857 0.9948 0.046 Uiso 1 1 calc R . .
H62D H 0.0686 0.8252 0.9350 0.046 Uiso 1 1 calc R . .
C63B C 0.1186(6) 0.7370(5) 0.9383(5) 0.040(3) Uani 1 1 d . . .
C64B C 0.1052(6) 0.6734(6) 0.9468(5) 0.048(3) Uani 1 1 d . . .
H64B H 0.0730 0.6561 0.9745 0.058 Uiso 1 1 calc R . .
C65B C 0.1829(6) 0.6794(4) 0.8766(4) 0.036(3) Uani 1 1 d . . .
H65B H 0.2150 0.6673 0.8467 0.043 Uiso 1 1 calc R . .
O1S O 0.5552(7) 0.9622(5) 0.9975(4) 0.113(4) Uani 1 1 d D . .
C1S C 0.5707(13) 1.0325(8) 0.9990(9) 0.194(14) Uani 1 1 d . . .
H1SA H 0.5495 1.0522 1.0347 0.232 Uiso 1 1 calc R . .
H1SB H 0.6214 1.0388 1.0017 0.232 Uiso 1 1 calc R . .
C2S C 0.5455(8) 1.0647(7) 0.9483(5) 0.072(4) Uani 1 1 d . . .
H2SA H 0.5810 1.0941 0.9311 0.086 Uiso 1 1 calc R . .
H2SB H 0.5035 1.0908 0.9575 0.086 Uiso 1 1 calc R . .
C3S C 0.5285(6) 1.0073(6) 0.9062(5) 0.050(3) Uani 1 1 d . . .
H3SA H 0.4782 1.0056 0.8979 0.061 Uiso 1 1 calc R . .
H3SB H 0.5537 1.0123 0.8684 0.061 Uiso 1 1 calc R . .
C4S C 0.5510(8) 0.9475(6) 0.9371(5) 0.070(4) Uani 1 1 d D . .
H4SA H 0.5173 0.9117 0.9304 0.084 Uiso 1 1 calc R . .
H4SB H 0.5967 0.9332 0.9221 0.084 Uiso 1 1 calc R . .
O2S O 0.4059(11) 0.2978(8) 1.0096(5) 0.234(10) Uani 1 1 d DU . .
C5S C 0.3675(14) 0.2397(9) 1.0161(8) 0.179(12) Uani 1 1 d DU . .
H5SA H 0.3671 0.2141 0.9789 0.215 Uiso 1 1 calc R . .
H5SB H 0.3192 0.2494 1.0279 0.215 Uiso 1 1 calc R . .
C6S C 0.4036(8) 0.2050(8) 1.0620(7) 0.095(4) Uani 1 1 d U . .
H6SA H 0.4406 0.1773 1.0448 0.114 Uiso 1 1 calc R . .
H6SB H 0.3711 0.1763 1.0839 0.114 Uiso 1 1 calc R . .
C7S C 0.4342(8) 0.2557(7) 1.1029(6) 0.089(4) Uani 1 1 d U . .
H7SA H 0.4825 0.2445 1.1135 0.107 Uiso 1 1 calc R . .
H7SB H 0.4065 0.2603 1.1394 0.107 Uiso 1 1 calc R . .
C8S C 0.4310(9) 0.3179(8) 1.0653(6) 0.101(5) Uani 1 1 d U . .
H8SA H 0.3995 0.3506 1.0834 0.121 Uiso 1 1 calc R . .
H8SB H 0.4776 0.3378 1.0614 0.121 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1A 0.0336(5) 0.0244(4) 0.0282(4) -0.0013(4) 0.0026(4) -0.0004(4)
Cl1A 0.0411(17) 0.0329(15) 0.0435(16) -0.0024(13) 0.0066(14) 0.0008(13)
P1A 0.0263(17) 0.0260(14) 0.0304(15) -0.0008(12) -0.0023(12) -0.0001(13)
P2A 0.0325(17) 0.0301(16) 0.0275(15) 0.0002(13) 0.0007(12) 0.0012(12)
N1A 0.049(7) 0.045(6) 0.032(5) -0.004(4) 0.000(5) -0.006(5)
N2A 0.042(6) 0.027(5) 0.065(7) -0.012(5) 0.007(5) 0.000(5)
N3A 0.030(5) 0.040(5) 0.028(5) 0.000(4) 0.012(4) -0.004(4)
C1A 0.042(8) 0.024(6) 0.016(5) 0.011(5) 0.000(5) 0.005(5)
C2A 0.033(7) 0.025(6) 0.041(7) 0.008(5) -0.009(5) -0.004(5)
C3A 0.019(6) 0.026(6) 0.047(6) 0.013(5) -0.001(5) 0.012(5)
C4A 0.032(7) 0.040(7) 0.021(6) -0.006(5) 0.002(4) 0.006(5)
C5A 0.043(7) 0.032(6) 0.033(7) -0.004(5) -0.001(5) 0.014(5)
C6A 0.049(8) 0.032(6) 0.024(5) 0.006(5) -0.001(5) 0.026(5)
C7A 0.049(8) 0.034(6) 0.020(6) 0.001(5) -0.005(5) 0.001(5)
C8A 0.034(6) 0.022(5) 0.026(6) 0.000(5) 0.002(5) -0.002(5)
C9A 0.024(6) 0.033(6) 0.027(6) -0.004(5) -0.011(4) 0.012(5)
C10A 0.026(6) 0.031(6) 0.030(6) -0.007(5) -0.001(5) -0.004(5)
C11A 0.026(6) 0.009(5) 0.049(6) -0.007(4) -0.005(6) -0.008(5)
C12A 0.033(7) 0.023(6) 0.041(7) 0.010(5) 0.003(5) 0.000(5)
C13A 0.030(7) 0.036(7) 0.050(8) 0.006(6) -0.015(6) -0.001(6)
C14A 0.026(6) 0.024(6) 0.055(8) 0.006(6) -0.014(6) -0.001(5)
C15A 0.039(7) 0.031(6) 0.047(8) 0.002(6) -0.026(6) -0.011(5)
C16A 0.059(10) 0.034(7) 0.052(8) -0.015(6) -0.024(7) 0.006(7)
C17A 0.084(11) 0.042(7) 0.028(6) 0.002(5) -0.013(7) 0.017(7)
C18A 0.051(8) 0.031(6) 0.035(6) 0.003(5) -0.021(6) 0.007(6)
C19A 0.040(7) 0.020(5) 0.028(6) -0.011(4) -0.003(5) 0.003(5)
C20A 0.029(7) 0.019(6) 0.032(6) -0.002(5) -0.006(5) 0.007(5)
C21A 0.033(7) 0.020(5) 0.031(6) 0.000(5) 0.006(5) -0.006(5)
C22A 0.039(7) 0.030(6) 0.025(6) 0.000(5) 0.002(5) 0.003(5)
C23A 0.043(7) 0.046(7) 0.037(6) -0.013(6) 0.010(5) -0.006(6)
C24A 0.026(7) 0.037(7) 0.063(9) 0.001(6) 0.007(6) -0.008(6)
C25A 0.051(9) 0.027(7) 0.064(9) 0.020(6) 0.018(7) 0.007(6)
C26A 0.026(6) 0.030(6) 0.046(7) 0.009(5) 0.004(5) 0.002(5)
C31A 0.046(8) 0.018(5) 0.029(6) -0.004(4) -0.005(5) -0.001(5)
C32A 0.040(7) 0.041(7) 0.040(6) 0.005(6) -0.004(6) 0.013(5)
C33A 0.070(10) 0.034(7) 0.031(6) -0.002(5) -0.024(6) 0.020(6)
C34A 0.040(8) 0.037(7) 0.053(8) -0.004(6) -0.017(6) 0.012(6)
C35A 0.035(7) 0.033(7) 0.062(9) -0.010(6) -0.010(6) 0.019(5)
C36A 0.030(7) 0.029(6) 0.039(7) -0.004(5) -0.008(5) 0.004(5)
C41A 0.054(8) 0.023(5) 0.028(6) 0.000(5) -0.003(5) -0.007(5)
C42A 0.042(8) 0.026(6) 0.057(8) 0.002(6) 0.012(6) -0.008(5)
C43A 0.031(7) 0.060(8) 0.053(8) -0.005(6) 0.008(6) -0.011(6)
C44A 0.059(9) 0.060(9) 0.033(7) 0.009(6) 0.009(6) -0.015(7)
C45A 0.057(9) 0.039(7) 0.028(6) 0.016(5) -0.004(6) -0.010(7)
C46A 0.048(8) 0.039(6) 0.020(5) -0.004(5) 0.007(5) 0.001(6)
C51A 0.037(7) 0.015(5) 0.031(6) 0.005(4) 0.005(5) 0.003(5)
C52A 0.036(7) 0.042(7) 0.033(6) 0.002(5) -0.001(5) 0.003(6)
C53A 0.064(9) 0.035(7) 0.035(7) 0.007(5) -0.004(6) 0.008(6)
C54A 0.045(8) 0.037(7) 0.059(8) 0.013(6) 0.009(7) 0.016(6)
C55A 0.032(7) 0.038(7) 0.089(10) 0.014(7) -0.015(7) -0.006(6)
C56A 0.032(7) 0.030(6) 0.062(8) 0.006(6) -0.004(6) 0.000(5)
C62A 0.085(11) 0.057(9) 0.065(9) 0.014(7) -0.036(8) -0.012(8)
C62* 0.085(11) 0.057(9) 0.065(9) 0.014(7) -0.036(8) -0.012(8)
C63A 0.039(7) 0.033(7) 0.033(6) -0.010(5) 0.004(5) 0.006(6)
C64A 0.034(7) 0.052(8) 0.037(7) -0.012(6) 0.001(5) -0.004(6)
C65A 0.040(7) 0.026(6) 0.046(7) -0.012(6) -0.003(5) -0.001(5)
Ru1B 0.0345(5) 0.0240(4) 0.0267(4) 0.0007(4) 0.0016(4) 0.0003(4)
Cl1B 0.0419(17) 0.0297(15) 0.0360(15) 0.0032(12) -0.0014(13) 0.0030(13)
P1B 0.0301(17) 0.0255(14) 0.0240(14) -0.0001(11) 0.0023(12) 0.0004(13)
P2B 0.0312(17) 0.0288(15) 0.0247(14) -0.0018(12) -0.0020(12) 0.0028(11)
N1B 0.040(6) 0.038(5) 0.031(5) 0.007(4) -0.001(5) 0.009(5)
N2B 0.061(7) 0.036(6) 0.044(6) 0.006(5) 0.004(5) -0.005(5)
N3B 0.037(6) 0.032(5) 0.025(5) 0.005(4) -0.002(4) -0.005(4)
C1B 0.024(7) 0.018(5) 0.034(6) -0.008(5) -0.004(5) 0.007(5)
C2B 0.034(8) 0.036(6) 0.036(6) 0.006(5) -0.001(5) 0.004(5)
C3B 0.023(6) 0.030(6) 0.053(7) -0.007(6) -0.008(5) 0.004(5)
C4B 0.033(7) 0.030(6) 0.024(6) 0.003(5) -0.006(5) -0.010(5)
C5B 0.036(7) 0.038(6) 0.031(6) -0.006(5) 0.001(5) 0.009(5)
C6B 0.045(7) 0.030(6) 0.033(6) -0.009(5) -0.005(5) 0.011(5)
C7B 0.054(8) 0.027(6) 0.036(6) 0.000(5) -0.002(6) -0.001(5)
C8B 0.032(6) 0.042(7) 0.026(6) 0.004(5) 0.002(5) 0.003(5)
C9B 0.023(6) 0.022(6) 0.029(6) -0.002(4) 0.006(4) 0.005(5)
C10B 0.025(6) 0.029(6) 0.026(6) -0.002(5) -0.006(4) 0.007(5)
C12B 0.039(7) 0.020(6) 0.031(6) 0.003(5) 0.002(5) -0.004(5)
C13B 0.031(7) 0.030(6) 0.037(7) 0.014(5) 0.006(5) 0.001(5)
C14B 0.033(7) 0.020(6) 0.026(6) -0.002(5) 0.002(5) -0.006(5)
C15B 0.044(7) 0.019(5) 0.036(6) -0.005(5) 0.010(6) -0.003(5)
C16B 0.052(9) 0.046(7) 0.026(6) -0.001(5) 0.013(6) 0.005(6)
C17B 0.037(7) 0.044(7) 0.022(6) 0.009(5) 0.007(5) -0.001(6)
C18B 0.042(7) 0.026(5) 0.026(5) 0.002(4) -0.006(6) 0.004(6)
C19B 0.040(7) 0.021(5) 0.027(6) 0.000(5) 0.005(5) 0.001(5)
C20B 0.040(8) 0.012(5) 0.036(6) -0.002(5) 0.005(5) 0.008(5)
C21B 0.030(7) 0.033(6) 0.027(6) 0.001(5) -0.012(5) 0.007(5)
C22B 0.030(7) 0.019(6) 0.046(7) 0.002(5) 0.005(5) 0.007(5)
C23B 0.027(6) 0.038(7) 0.044(6) 0.004(6) -0.003(5) -0.005(6)
C24B 0.040(8) 0.028(6) 0.047(7) -0.003(5) 0.006(6) -0.006(5)
C25B 0.046(9) 0.025(6) 0.055(8) -0.014(6) 0.006(6) 0.000(6)
C26B 0.037(7) 0.030(6) 0.039(6) 0.001(5) 0.004(5) 0.003(5)
C31B 0.013(6) 0.022(5) 0.027(5) -0.001(4) 0.000(4) 0.008(5)
C32B 0.027(7) 0.025(5) 0.040(6) -0.005(5) -0.006(5) 0.002(4)
C33B 0.053(8) 0.020(5) 0.027(6) -0.004(5) 0.004(5) -0.007(5)
C34B 0.027(7) 0.032(6) 0.049(7) 0.009(6) 0.009(6) 0.002(5)
C35B 0.033(7) 0.026(6) 0.042(7) 0.007(5) -0.005(5) 0.007(5)
C36B 0.044(8) 0.020(5) 0.025(6) -0.005(5) -0.001(5) 0.003(5)
C41B 0.035(6) 0.027(5) 0.019(5) 0.003(4) 0.006(5) 0.001(6)
C42B 0.056(8) 0.030(6) 0.025(6) 0.001(5) 0.003(5) -0.006(6)
C43B 0.031(7) 0.054(8) 0.033(6) 0.011(6) -0.009(5) -0.005(6)
C44B 0.037(8) 0.061(8) 0.032(7) -0.019(6) 0.004(5) -0.009(6)
C45B 0.047(8) 0.048(7) 0.035(6) -0.003(6) 0.005(5) 0.004(6)
C46B 0.031(7) 0.034(6) 0.032(6) 0.001(5) -0.001(5) 0.004(5)
C51B 0.029(6) 0.037(6) 0.035(6) -0.009(5) -0.013(5) 0.001(5)
C52B 0.041(7) 0.021(6) 0.033(6) 0.002(5) -0.007(5) 0.002(5)
C53B 0.060(9) 0.031(7) 0.047(8) -0.008(6) -0.004(6) 0.021(6)
C54B 0.043(8) 0.035(7) 0.066(8) -0.017(6) -0.019(7) 0.002(6)
C55B 0.041(8) 0.046(8) 0.062(9) -0.007(7) 0.019(6) 0.006(6)
C11B 0.024(6) 0.018(5) 0.013(4) -0.001(4) -0.001(5) 0.004(5)
C56B 0.038(7) 0.023(6) 0.064(8) -0.001(6) 0.006(6) -0.004(5)
C61B 0.054(8) 0.036(7) 0.039(7) 0.000(6) 0.013(6) 0.002(6)
C62B 0.044(8) 0.040(7) 0.031(6) 0.005(5) 0.009(5) -0.004(6)
C63B 0.061(9) 0.025(6) 0.033(7) 0.005(5) 0.004(6) -0.006(6)
C64B 0.063(9) 0.048(8) 0.034(7) 0.006(6) 0.012(6) -0.004(7)
C65B 0.049(8) 0.019(6) 0.040(7) -0.005(5) -0.006(5) -0.001(5)
O1S 0.219(14) 0.061(7) 0.058(7) 0.002(6) -0.034(7) 0.025(8)
C1S 0.32(3) 0.065(12) 0.19(2) -0.013(14) -0.22(2) -0.008(17)
C2S 0.095(12) 0.071(10) 0.050(8) 0.008(8) -0.013(8) -0.007(9)
C3S 0.053(8) 0.065(9) 0.034(7) 0.003(6) -0.014(6) 0.003(7)
C4S 0.118(13) 0.052(9) 0.042(8) -0.008(7) -0.002(8) 0.031(9)
O2S 0.44(3) 0.211(12) 0.055(7) -0.012(7) -0.016(10) -0.240(15)
C5S 0.31(3) 0.146(16) 0.078(13) 0.013(10) -0.041(13) -0.149(16)
C6S 0.062(11) 0.123(8) 0.101(11) -0.063(7) 0.031(8) -0.041(9)
C7S 0.085(11) 0.097(10) 0.084(8) -0.062(6) 0.026(7) -0.010(9)
C8S 0.121(14) 0.108(8) 0.074(8) -0.059(7) 0.000(9) -0.014(11)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Ru1A H1RU 1.65(8) . ?
Ru1A N3A 2.148(8) . ?
Ru1A N1A 2.208(7) . ?
Ru1A P1A 2.236(3) . ?
Ru1A P2A 2.245(3) . ?
Ru1A Cl1A 2.634(3) . ?
P1A C21A 1.826(10) . ?
P1A C31A 1.843(10) . ?
P1A C1A 1.879(10) . ?
P2A C51A 1.819(10) . ?
P2A C11A 1.832(10) . ?
P2A C41A 1.834(10) . ?
N1A C61* 1.43(2) . ?
N1A C61A 1.46(2) . ?
N2A C65A 1.349(12) . ?
N2A C64A 1.386(13) . ?
N3A C65A 1.348(12) . ?
N3A C63A 1.408(12) . ?
C1A C2A 1.398(14) . ?
C1A C10A 1.398(13) . ?
C2A C3A 1.376(13) . ?
C3A C4A 1.415(14) . ?
C4A C5A 1.412(13) . ?
C4A C9A 1.452(13) . ?
C5A C6A 1.369(13) . ?
C6A C7A 1.418(14) . ?
C7A C8A 1.353(12) . ?
C8A C9A 1.401(13) . ?
C9A C10A 1.432(13) . ?
C10A C20A 1.511(13) . ?
C11A C20A 1.384(13) . ?
C11A C12A 1.451(14) . ?
C12A C13A 1.372(14) . ?
C13A C14A 1.401(15) . ?
C14A C15A 1.403(14) . ?
C14A C19A 1.455(13) . ?
C15A C16A 1.345(15) . ?
C16A C17A 1.433(16) . ?
C17A C18A 1.343(13) . ?
C18A C19A 1.440(13) . ?
C19A C20A 1.423(12) . ?
C21A C26A 1.404(13) . ?
C21A C22A 1.424(14) . ?
C22A C23A 1.380(14) . ?
C23A C24A 1.405(15) . ?
C24A C25A 1.383(15) . ?
C25A C26A 1.391(14) . ?
C31A C32A 1.393(12) . ?
C31A C36A 1.411(14) . ?
C32A C33A 1.384(14) . ?
C33A C34A 1.378(15) . ?
C34A C35A 1.346(14) . ?
C35A C36A 1.403(14) . ?
C41A C42A 1.401(14) . ?
C41A C46A 1.408(13) . ?
C42A C43A 1.394(14) . ?
C43A C44A 1.369(15) . ?
C44A C45A 1.376(15) . ?
C45A C46A 1.398(14) . ?
C51A C56A 1.389(13) . ?
C51A C52A 1.411(13) . ?
C52A C53A 1.409(14) . ?
C53A C54A 1.368(15) . ?
C54A C55A 1.370(15) . ?
C55A C56A 1.392(13) . ?
C61A C62A 1.43(2) . ?
C62A C63A 1.493(15) . ?
C63A C64A 1.325(14) . ?
Ru1B H2RU 1.68(8) . ?
Ru1B N3B 2.166(8) . ?
Ru1B N1B 2.204(7) . ?
Ru1B P1B 2.236(3) . ?
Ru1B P2B 2.243(3) . ?
Ru1B Cl1B 2.637(3) . ?
P1B C31B 1.833(9) . ?
P1B C21B 1.850(10) . ?
P1B C1B 1.855(10) . ?
P2B C51B 1.839(10) . ?
P2B C11B 1.843(9) . ?
P2B C41B 1.855(10) . ?
N1B C61B 1.489(12) . ?
N2B C65B 1.344(12) . ?
N2B C64B 1.365(13) . ?
N3B C65B 1.345(12) . ?
N3B C63B 1.406(13) . ?
C1B C10B 1.390(13) . ?
C1B C2B 1.419(14) . ?
C2B C3B 1.363(13) . ?
C3B C4B 1.386(13) . ?
C4B C5B 1.413(13) . ?
C4B C9B 1.454(13) . ?
C5B C6B 1.369(13) . ?
C6B C7B 1.404(14) . ?
C7B C8B 1.368(13) . ?
C8B C9B 1.415(13) . ?
C9B C10B 1.431(13) . ?
C10B C20B 1.538(13) . ?
C12B C13B 1.360(13) . ?
C12B C11B 1.417(13) . ?
C13B C14B 1.403(13) . ?
C14B C15B 1.418(13) . ?
C14B C19B 1.433(14) . ?
C15B C16B 1.369(13) . ?
C16B C17B 1.409(15) . ?
C17B C18B 1.368(13) . ?
C18B C19B 1.415(12) . ?
C19B C20B 1.437(13) . ?
C20B C11B 1.386(12) . ?
C21B C26B 1.392(13) . ?
C21B C22B 1.420(13) . ?
C22B C23B 1.393(13) . ?
C23B C24B 1.373(14) . ?
C24B C25B 1.372(15) . ?
C25B C26B 1.409(14) . ?
C31B C36B 1.375(14) . ?
C31B C32B 1.384(12) . ?
C32B C33B 1.390(13) . ?
C33B C34B 1.415(14) . ?
C34B C35B 1.347(14) . ?
C35B C36B 1.406(14) . ?
C41B C46B 1.404(12) . ?
C41B C42B 1.413(13) . ?
C42B C43B 1.374(13) . ?
C43B C44B 1.400(15) . ?
C44B C45B 1.367(14) . ?
C45B C46B 1.406(13) . ?
C51B C52B 1.400(13) . ?
C51B C56B 1.435(14) . ?
C52B C53B 1.385(13) . ?
C53B C54B 1.374(15) . ?
C54B C55B 1.386(15) . ?
C55B C56B 1.355(14) . ?
C61B C62B 1.545(14) . ?
C62B C63B 1.492(14) . ?
C63B C64B 1.333(14) . ?
O1S C4S 1.403(11) . ?
O1S C1S 1.462(18) . ?
C1S C2S 1.409(18) . ?
C2S C3S 1.544(15) . ?
C3S C4S 1.467(15) . ?
O2S C5S 1.403(11) . ?
O2S C8S 1.411(16) . ?
C5S C6S 1.44(2) . ?
C6S C7S 1.507(17) . ?
C7S C8S 1.53(2) . ?

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
H1RU Ru1A N3A 84(3) . . ?
H1RU Ru1A N1A 89(3) . . ?
N3A Ru1A N1A 81.8(3) . . ?
H1RU Ru1A P1A 87(3) . . ?
N3A Ru1A P1A 97.7(2) . . ?
N1A Ru1A P1A 175.7(3) . . ?
H1RU Ru1A P2A 88(3) . . ?
N3A Ru1A P2A 169.2(2) . . ?
N1A Ru1A P2A 90.3(2) . . ?
P1A Ru1A P2A 89.62(10) . . ?
H1RU Ru1A Cl1A 163(3) . . ?
N3A Ru1A Cl1A 80.7(2) . . ?
N1A Ru1A Cl1A 81.4(3) . . ?
P1A Ru1A Cl1A 102.81(9) . . ?
P2A Ru1A Cl1A 105.50(10) . . ?
C21A P1A C31A 102.0(5) . . ?
C21A P1A C1A 103.1(5) . . ?
C31A P1A C1A 100.1(4) . . ?
C21A P1A Ru1A 112.6(3) . . ?
C31A P1A Ru1A 123.6(4) . . ?
C1A P1A Ru1A 112.9(3) . . ?
C51A P2A C11A 101.8(5) . . ?
C51A P2A C41A 98.6(5) . . ?
C11A P2A C41A 102.8(5) . . ?
C51A P2A Ru1A 118.9(3) . . ?
C11A P2A Ru1A 118.0(3) . . ?
C41A P2A Ru1A 113.9(3) . . ?
C61* N1A C61A 34.0(11) . . ?
C61* N1A Ru1A 127.6(10) . . ?
C61A N1A Ru1A 121.6(11) . . ?
C65A N2A C64A 106.0(9) . . ?
C65A N3A C63A 104.9(8) . . ?
C65A N3A Ru1A 131.5(7) . . ?
C63A N3A Ru1A 123.4(7) . . ?
C2A C1A C10A 120.1(10) . . ?
C2A C1A P1A 119.1(8) . . ?
C10A C1A P1A 120.4(8) . . ?
C3A C2A C1A 122.6(10) . . ?
C2A C3A C4A 119.0(9) . . ?
C5A C4A C3A 121.7(9) . . ?
C5A C4A C9A 118.2(10) . . ?
C3A C4A C9A 120.1(9) . . ?
C6A C5A C4A 121.9(10) . . ?
C5A C6A C7A 119.4(9) . . ?
C8A C7A C6A 120.0(10) . . ?
C7A C8A C9A 122.9(10) . . ?
C8A C9A C10A 124.1(9) . . ?
C8A C9A C4A 117.6(9) . . ?
C10A C9A C4A 118.3(9) . . ?
C1A C10A C9A 119.8(10) . . ?
C1A C10A C20A 121.4(10) . . ?
C9A C10A C20A 118.8(9) . . ?
C20A C11A C12A 117.5(9) . . ?
C20A C11A P2A 123.0(8) . . ?
C12A C11A P2A 119.0(8) . . ?
C13A C12A C11A 120.5(10) . . ?
C12A C13A C14A 124.0(11) . . ?
C13A C14A C15A 124.1(10) . . ?
C13A C14A C19A 115.5(9) . . ?
C15A C14A C19A 120.4(11) . . ?
C16A C15A C14A 121.7(11) . . ?
C15A C16A C17A 119.4(11) . . ?
C18A C17A C16A 120.6(11) . . ?
C17A C18A C19A 122.5(11) . . ?
C20A C19A C18A 123.9(10) . . ?
C20A C19A C14A 120.8(9) . . ?
C18A C19A C14A 115.2(9) . . ?
C11A C20A C19A 121.6(10) . . ?
C11A C20A C10A 120.8(9) . . ?
C19A C20A C10A 117.5(9) . . ?
C26A C21A C22A 117.5(9) . . ?
C26A C21A P1A 123.9(8) . . ?
C22A C21A P1A 117.6(8) . . ?
C23A C22A C21A 121.4(10) . . ?
C22A C23A C24A 120.3(11) . . ?
C25A C24A C23A 118.5(11) . . ?
C24A C25A C26A 122.1(11) . . ?
C25A C26A C21A 120.2(10) . . ?
C32A C31A C36A 118.8(9) . . ?
C32A C31A P1A 121.6(8) . . ?
C36A C31A P1A 119.6(7) . . ?
C33A C32A C31A 120.5(11) . . ?
C34A C33A C32A 120.7(10) . . ?
C35A C34A C33A 119.2(11) . . ?
C34A C35A C36A 122.6(11) . . ?
C35A C36A C31A 118.0(10) . . ?
C42A C41A C46A 116.6(10) . . ?
C42A C41A P2A 118.5(8) . . ?
C46A C41A P2A 124.9(8) . . ?
C43A C42A C41A 122.0(10) . . ?
C44A C43A C42A 120.4(12) . . ?
C43A C44A C45A 119.2(11) . . ?
C44A C45A C46A 121.4(10) . . ?
C45A C46A C41A 120.5(10) . . ?
C56A C51A C52A 116.9(9) . . ?
C56A C51A P2A 122.3(8) . . ?
C52A C51A P2A 120.4(8) . . ?
C53A C52A C51A 122.3(10) . . ?
C54A C53A C52A 117.6(11) . . ?
C53A C54A C55A 122.0(11) . . ?
C54A C55A C56A 120.0(11) . . ?
C51A C56A C55A 121.2(10) . . ?
C62A C61A N1A 115.0(16) . . ?
C61A C62A C63A 125.1(17) . . ?
C64A C63A N3A 109.0(10) . . ?
C64A C63A C62A 130.8(11) . . ?
N3A C63A C62A 119.8(10) . . ?
C63A C64A N2A 108.7(10) . . ?
N3A C65A N2A 111.4(9) . . ?
H2RU Ru1B N3B 84(3) . . ?
H2RU Ru1B N1B 90(3) . . ?
N3B Ru1B N1B 78.9(3) . . ?
H2RU Ru1B P1B 86(3) . . ?
N3B Ru1B P1B 97.6(2) . . ?
N1B Ru1B P1B 175.2(2) . . ?
H2RU Ru1B P2B 88(3) . . ?
N3B Ru1B P2B 168.8(2) . . ?
N1B Ru1B P2B 93.6(2) . . ?
P1B Ru1B P2B 89.43(10) . . ?
H2RU Ru1B Cl1B 166(3) . . ?
N3B Ru1B Cl1B 82.7(2) . . ?
N1B Ru1B Cl1B 81.9(2) . . ?
P1B Ru1B Cl1B 100.99(10) . . ?
P2B Ru1B Cl1B 104.53(9) . . ?
C31B P1B C21B 100.6(4) . . ?
C31B P1B C1B 99.7(4) . . ?
C21B P1B C1B 105.0(4) . . ?
C31B P1B Ru1B 124.7(3) . . ?
C21B P1B Ru1B 110.9(3) . . ?
C1B P1B Ru1B 113.6(3) . . ?
C51B P2B C11B 103.3(4) . . ?
C51B P2B C41B 98.7(4) . . ?
C11B P2B C41B 103.0(4) . . ?
C51B P2B Ru1B 119.0(3) . . ?
C11B P2B Ru1B 116.7(3) . . ?
C41B P2B Ru1B 113.5(3) . . ?
C61B N1B Ru1B 124.4(7) . . ?
C65B N2B C64B 107.9(9) . . ?
C65B N3B C63B 106.6(8) . . ?
C65B N3B Ru1B 131.0(7) . . ?
C63B N3B Ru1B 122.3(7) . . ?
C10B C1B C2B 117.8(9) . . ?
C10B C1B P1B 121.7(7) . . ?
C2B C1B P1B 120.3(8) . . ?
C3B C2B C1B 121.9(10) . . ?
C2B C3B C4B 122.5(10) . . ?
C3B C4B C5B 122.7(10) . . ?
C3B C4B C9B 117.5(9) . . ?
C5B C4B C9B 119.7(9) . . ?
C6B C5B C4B 121.3(10) . . ?
C5B C6B C7B 119.4(10) . . ?
C8B C7B C6B 121.1(10) . . ?
C7B C8B C9B 122.1(10) . . ?
C8B C9B C10B 124.6(9) . . ?
C8B C9B C4B 116.3(9) . . ?
C10B C9B C4B 119.0(9) . . ?
C1B C10B C9B 121.2(9) . . ?
C1B C10B C20B 121.2(9) . . ?
C9B C10B C20B 117.6(9) . . ?
C13B C12B C11B 121.5(10) . . ?
C12B C13B C14B 121.2(10) . . ?
C13B C14B C15B 121.8(10) . . ?
C13B C14B C19B 119.3(9) . . ?
C15B C14B C19B 119.0(9) . . ?
C16B C15B C14B 121.6(10) . . ?
C15B C16B C17B 119.5(10) . . ?
C18B C17B C16B 120.2(10) . . ?
C17B C18B C19B 122.2(11) . . ?
C18B C19B C14B 117.5(9) . . ?
C18B C19B C20B 124.3(10) . . ?
C14B C19B C20B 118.3(9) . . ?
C11B C20B C19B 120.8(10) . . ?
C11B C20B C10B 121.3(9) . . ?
C19B C20B C10B 117.8(9) . . ?
C26B C21B C22B 118.6(10) . . ?
C26B C21B P1B 122.2(8) . . ?
C22B C21B P1B 118.0(7) . . ?
C23B C22B C21B 119.2(9) . . ?
C24B C23B C22B 121.9(10) . . ?
C25B C24B C23B 119.1(10) . . ?
C24B C25B C26B 121.1(10) . . ?
C21B C26B C25B 120.0(10) . . ?
C36B C31B C32B 117.7(9) . . ?
C36B C31B P1B 122.0(7) . . ?
C32B C31B P1B 120.3(7) . . ?
C31B C32B C33B 122.4(9) . . ?
C32B C33B C34B 118.1(9) . . ?
C35B C34B C33B 120.1(10) . . ?
C34B C35B C36B 120.4(10) . . ?
C31B C36B C35B 121.2(9) . . ?
C46B C41B C42B 117.6(9) . . ?
C46B C41B P2B 122.9(8) . . ?
C42B C41B P2B 119.3(7) . . ?
C43B C42B C41B 121.7(10) . . ?
C42B C43B C44B 120.6(11) . . ?
C45B C44B C43B 118.3(10) . . ?
C44B C45B C46B 122.4(11) . . ?
C41B C46B C45B 119.4(10) . . ?
C52B C51B C56B 117.7(10) . . ?
C52B C51B P2B 122.4(8) . . ?
C56B C51B P2B 119.4(8) . . ?
C53B C52B C51B 121.2(11) . . ?
C54B C53B C52B 120.4(11) . . ?
C53B C54B C55B 118.9(11) . . ?
C56B C55B C54B 122.8(11) . . ?
C20B C11B C12B 118.9(9) . . ?
C20B C11B P2B 123.2(8) . . ?
C12B C11B P2B 117.3(7) . . ?
C55B C56B C51B 119.0(10) . . ?
N1B C61B C62B 111.5(8) . . ?
C63B C62B C61B 113.1(9) . . ?
C64B C63B N3B 107.5(10) . . ?
C64B C63B C62B 132.4(11) . . ?
N3B C63B C62B 120.1(9) . . ?
C63B C64B N2B 108.7(10) . . ?
N2B C65B N3B 109.3(10) . . ?
C4S O1S C1S 104.0(12) . . ?
C2S C1S O1S 111.5(12) . . ?
C1S C2S C3S 102.8(12) . . ?
C4S C3S C2S 105.8(9) . . ?
O1S C4S C3S 107.7(10) . . ?
C5S O2S C8S 109.4(13) . . ?
O2S C5S C6S 103.6(16) . . ?
C5S C6S C7S 107.3(15) . . ?
C6S C7S C8S 102.1(13) . . ?
O2S C8S C7S 105.7(13) . . ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.07
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.721
_refine_diff_density_rms         0.109