# Copyright The Royal Society of Chemistry, 1999
# CCDC Number: 440/088

data_[RuH(dcpe)2]PF6

_audit_creation_method            SHELXL
_chemical_name_systematic
;
 ?
;
_chemical_name_common             [RuH(dcpe)2]PF6
_chemical_formula_moiety          ?
_chemical_formula_structural      ?
_chemical_formula_analytical      ?
_chemical_formula_sum             'C52 H97 F6 P5 Ru'
_chemical_formula_weight          1092.22
_chemical_melting_point           ?
_chemical_compound_source         ?

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'
 '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'

_symmetry_cell_setting            monoclin
_symmetry_space_group_name_H-M    P2/c

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

_cell_length_a                    19.6290(10)
_cell_length_b                    12.4940(10)
_cell_length_c                    22.413(2)
_cell_angle_alpha                 90.00
_cell_angle_beta                  95.960(7)
_cell_angle_gamma                 90.00
_cell_volume                      5467.0(7)
_cell_formula_units_Z             4
_cell_measurement_temperature     298(2)
_cell_measurement_reflns_used     5000
_cell_measurement_theta_min       4
_cell_measurement_theta_max       24

_exptl_crystal_description        regulus
_exptl_crystal_colour             orange
_exptl_crystal_size_max           0.30
_exptl_crystal_size_mid           0.25
_exptl_crystal_size_min           0.20
_exptl_crystal_density_meas       'not measured'
_exptl_crystal_density_diffrn     1.327
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              2328
_exptl_absorpt_coefficient_mu     0.487
_exptl_absorpt_correction_type    'DECAY and ABSCOR (STOE)'
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?

_exptl_special_details
;
 ?
;

_diffrn_ambient_temperature       298(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device        'STOE IPSD'
_diffrn_measurement_method        Oscillation
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             30551
_diffrn_reflns_av_R_equivalents   0.0581
_diffrn_reflns_av_sigmaI/netI     0.0482
_diffrn_reflns_limit_h_min        -22
_diffrn_reflns_limit_h_max        20
_diffrn_reflns_limit_k_min        -14
_diffrn_reflns_limit_k_max        14
_diffrn_reflns_limit_l_min        -25
_diffrn_reflns_limit_l_max        25
_diffrn_reflns_theta_min          3.87
_diffrn_reflns_theta_max          23.99
_reflns_number_total              8503
_reflns_number_observed           5983
_reflns_observed_criterion        >2sigma(I)

_computing_data_collection        'EXPOSE (STOE)'
_computing_cell_refinement        'SELECT and CELL (STOE)'
_computing_data_reduction         'INTEGRATE (STOE)'
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1986)'
_computing_structure_refinement   'SHELXL-96 (Sheldrick, 1996)'
_computing_molecular_graphics     ?
_computing_publication_material   ?

_refine_special_details
;
 Refinement of F^2^ against ALL reflections.  Weighted R-factors wR and all
 goodnesses 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 observed criterion
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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.
 The position of the hydride atom was not included in the atoms list and
 therefore it was not refined.
;

_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme
 'calc w=1/[\s^2^(Fo^2^)+(0.0622P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    difmap
_refine_ls_hydrogen_treatment     'fixed isotropic displacement parameters'
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        ?
_refine_ls_number_reflns          8503
_refine_ls_number_parameters      867
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0787
_refine_ls_R_factor_obs           0.0457
_refine_ls_wR_factor_all          0.1088
_refine_ls_wR_factor_obs          0.0993
_refine_ls_goodness_of_fit_all    0.995
_refine_ls_goodness_of_fit_obs    1.108
_refine_ls_restrained_S_all       0.995
_refine_ls_restrained_S_obs       1.108
_refine_ls_shift/esd_max          0.001
_refine_ls_shift/esd_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_thermal_displace_type
 _atom_site_occupancy
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_group
Ru Ru 0.749094(15) 0.66478(2) 0.007641(13) 0.03221(11) Uani 1 d . .
P1 P 0.83566(5) 0.53504(8) 0.02344(4) 0.0344(2) Uani 1 d . .
C1 C 0.9201(2) 0.5969(4) 0.0180(2) 0.0440(10) Uani 1 d . .
C2 C 0.9213(2) 0.7089(4) 0.0446(2) 0.0464(10) Uani 1 d . .
P2 P 0.84333(5) 0.78447(8) 0.01699(4) 0.0356(2) Uani 1 d . .
C5 C 0.8444(2) 0.4755(3) 0.10040(17) 0.0417(10) Uani 1 d . .
C6 C 0.8152(3) 0.5513(4) 0.1449(2) 0.0557(12) Uani 1 d . .
C7 C 0.8096(4) 0.4977(6) 0.2045(2) 0.0781(17) Uani 1 d . .
C8 C 0.8779(4) 0.4520(5) 0.2307(2) 0.085(2) Uani 1 d . .
C9 C 0.9096(4) 0.3816(5) 0.1871(3) 0.084(2) Uani 1 d . .
C10 C 0.9154(3) 0.4388(5) 0.1276(2) 0.0583(12) Uani 1 d . .
C11 C 0.8350(2) 0.4181(3) -0.02814(17) 0.0401(9) Uani 1 d . .
C12 C 0.8450(3) 0.4510(4) -0.09289(19) 0.0523(12) Uani 1 d . .
C13 C 0.8311(3) 0.3560(4) -0.1351(2) 0.0645(14) Uani 1 d . .
C14 C 0.8758(3) 0.2613(5) -0.1165(2) 0.0635(14) Uani 1 d . .
C15 C 0.8676(3) 0.2302(4) -0.0521(2) 0.0593(13) Uani 1 d . .
C16 C 0.8806(3) 0.3243(4) -0.0086(2) 0.0507(11) Uani 1 d . .
C17 C 0.8667(2) 0.8458(3) -0.05436(17) 0.0410(9) Uani 1 d . .
C18 C 0.9329(3) 0.9133(5) -0.0486(2) 0.0607(13) Uani 1 d . .
C19 C 0.9420(3) 0.9695(5) -0.1076(3) 0.0686(15) Uani 1 d . .
C20 C 0.9444(3) 0.8926(5) -0.1583(3) 0.0740(17) Uani 1 d . .
C21 C 0.8820(4) 0.8222(5) -0.1645(2) 0.0712(16) Uani 1 d . .
C22 C 0.8711(3) 0.7646(4) -0.1055(2) 0.0614(13) Uani 1 d . .
C23 C 0.8543(2) 0.8998(3) 0.07105(18) 0.0453(10) Uani 1 d . .
C24 C 0.8362(3) 0.8689(4) 0.1334(2) 0.0537(12) Uani 1 d . .
C25 C 0.8516(4) 0.9597(5) 0.1787(2) 0.0736(16) Uani 1 d . .
C26 C 0.8177(4) 1.0621(5) 0.1579(3) 0.0762(17) Uani 1 d . .
C27 C 0.8358(3) 1.0923(4) 0.0964(2) 0.0629(13) Uani 1 d . .
C28 C 0.8176(3) 1.0020(4) 0.0514(2) 0.0522(11) Uani 1 d . .
P3 P 0.66304(5) 0.79504(8) -0.00787(4) 0.0368(2) Uani 1 d . .
C3 C 0.5820(2) 0.7365(4) -0.0425(2) 0.0450(10) Uani 1 d . .
C4 C 0.5744(2) 0.6239(4) -0.0194(2) 0.0418(10) Uani 1 d . .
P4 P 0.65560(5) 0.54703(8) -0.01773(4) 0.0344(2) Uani 1 d . .
C29 C 0.6404(2) 0.8466(4) 0.06575(17) 0.0435(10) Uani 1 d . .
C30 C 0.5673(3) 0.8828(6) 0.0716(2) 0.0682(15) Uani 1 d . .
C31 C 0.5616(4) 0.9248(7) 0.1363(3) 0.091(2) Uani 1 d . .
C32 C 0.5841(4) 0.8451(7) 0.1831(3) 0.093(2) Uani 1 d . .
C33 C 0.6549(3) 0.8060(6) 0.1777(2) 0.0765(16) Uani 1 d . .
C34 C 0.6605(3) 0.7618(4) 0.1146(2) 0.0588(13) Uani 1 d . .
C35 C 0.6752(2) 0.9131(4) -0.05616(19) 0.0476(10) Uani 1 d . .
C36 C 0.6847(3) 0.8798(4) -0.1200(2) 0.0533(12) Uani 1 d . .
C37 C 0.7044(3) 0.9761(5) -0.1567(3) 0.0726(15) Uani 1 d . .
C38 C 0.6532(4) 1.0645(5) -0.1560(3) 0.0800(17) Uani 1 d . .
C39 C 0.6428(4) 1.0966(4) -0.0932(3) 0.0761(17) Uani 1 d . .
C40 C 0.6214(3) 1.0014(4) -0.0556(3) 0.0646(13) Uani 1 d . .
C41 C 0.6501(2) 0.4883(3) -0.09509(16) 0.0378(9) Uani 1 d . .
C42 C 0.6568(3) 0.5742(4) -0.14310(19) 0.0542(12) Uani 1 d . .
C43 C 0.6621(3) 0.5226(5) -0.2041(2) 0.0633(14) Uani 1 d . .
C44 C 0.6013(3) 0.4541(5) -0.2226(2) 0.0674(15) Uani 1 d . .
C45 C 0.5909(4) 0.3705(5) -0.1757(2) 0.0726(16) Uani 1 d . .
C46 C 0.5867(3) 0.4216(5) -0.1147(2) 0.0590(13) Uani 1 d . .
C47 C 0.6309(2) 0.4304(3) 0.02827(17) 0.0429(10) Uani 1 d . .
C48 C 0.6276(3) 0.4584(4) 0.0946(2) 0.0531(12) Uani 1 d . .
C49 C 0.6018(3) 0.3652(4) 0.1297(2) 0.0599(13) Uani 1 d . .
C50 C 0.6453(3) 0.2658(5) 0.1237(2) 0.0677(15) Uani 1 d . .
C51 C 0.6464(3) 0.2366(4) 0.0582(2) 0.0591(13) Uani 1 d . .
C52 C 0.6748(2) 0.3308(4) 0.0233(2) 0.0507(10) Uani 1 d . .
P5 P 0.5000 0.18595(16) 0.2500 0.0574(5) Uani 1 d S .
F1 F 0.50748(17) 0.1825(3) 0.32073(13) 0.0938(11) Uani 1 d . .
F2 F 0.5000 0.3066(5) 0.2500 0.173(3) Uani 1 d S .
F3 F 0.42092(18) 0.1895(5) 0.25040(15) 0.139(2) Uani 1 d . .
F4 F 0.5000 0.0615(5) 0.2500 0.155(3) Uani 1 d S .
P6 P 1.0000 0.74512(17) 0.2500 0.0597(5) Uani 1 d S .
F5 F 1.00172(19) 0.6539(3) 0.29966(14) 0.0969(11) Uani 1 d . .
F6 F 1.00245(19) 0.8311(4) 0.3010(2) 0.1212(16) Uani 1 d . .
F7 F 1.08100(15) 0.7433(3) 0.25346(13) 0.0871(10) Uani 1 d . .
H1A H 0.922(3) 0.597(4) -0.023(2) 0.080 Uiso 1 d . .
H1B H 0.952(3) 0.560(5) 0.038(2) 0.080 Uiso 1 d . .
H2A H 0.959(3) 0.751(5) 0.033(2) 0.080 Uiso 1 d . .
H2B H 0.919(3) 0.708(4) 0.085(3) 0.080 Uiso 1 d . .
H3A H 0.547(3) 0.782(5) -0.035(2) 0.080 Uiso 1 d . .
H3B H 0.583(3) 0.741(5) -0.084(3) 0.080 Uiso 1 d . .
H4A H 0.539(3) 0.583(5) -0.041(2) 0.080 Uiso 1 d . .
H4B H 0.565(3) 0.625(4) 0.019(2) 0.080 Uiso 1 d . .
H5 H 0.813(3) 0.416(5) 0.095(2) 0.080 Uiso 1 d . .
H6A H 0.845(3) 0.616(5) 0.151(2) 0.080 Uiso 1 d . .
H6B H 0.772(3) 0.584(5) 0.126(2) 0.080 Uiso 1 d . .
H7A H 0.788(3) 0.545(5) 0.230(3) 0.080 Uiso 1 d . .
H7B H 0.784(3) 0.437(5) 0.200(2) 0.080 Uiso 1 d . .
H8A H 0.909(3) 0.511(5) 0.242(2) 0.080 Uiso 1 d . .
H8B H 0.867(3) 0.417(5) 0.268(2) 0.080 Uiso 1 d . .
H9A H 0.956(3) 0.356(5) 0.198(2) 0.080 Uiso 1 d . .
H9B H 0.884(3) 0.319(5) 0.177(2) 0.080 Uiso 1 d . .
H10A H 0.934(3) 0.394(5) 0.099(2) 0.080 Uiso 1 d . .
H10B H 0.944(3) 0.500(5) 0.132(2) 0.080 Uiso 1 d . .
H11 H 0.791(3) 0.385(5) -0.027(2) 0.080 Uiso 1 d . .
H12A H 0.812(3) 0.508(5) -0.105(2) 0.080 Uiso 1 d . .
H12B H 0.893(3) 0.475(5) -0.094(2) 0.080 Uiso 1 d . .
H13A H 0.778(3) 0.334(4) -0.138(2) 0.080 Uiso 1 d . .
H13B H 0.846(3) 0.379(4) -0.175(2) 0.080 Uiso 1 d . .
H14A H 0.864(3) 0.198(5) -0.137(2) 0.080 Uiso 1 d . .
H14B H 0.924(3) 0.286(5) -0.121(2) 0.080 Uiso 1 d . .
H15A H 0.823(3) 0.209(5) -0.051(2) 0.080 Uiso 1 d . .
H15B H 0.896(3) 0.175(5) -0.038(2) 0.080 Uiso 1 d . .
H16A H 0.927(3) 0.351(4) -0.006(2) 0.080 Uiso 1 d . .
H16B H 0.872(3) 0.298(4) 0.035(2) 0.080 Uiso 1 d . .
H17 H 0.829(3) 0.893(5) -0.064(2) 0.080 Uiso 1 d . .
H18A H 0.969(3) 0.866(5) -0.039(2) 0.080 Uiso 1 d . .
H18B H 0.932(3) 0.971(5) -0.015(2) 0.080 Uiso 1 d . .
H19A H 0.902(3) 1.014(5) -0.116(2) 0.080 Uiso 1 d . .
H19B H 0.976(3) 1.004(5) -0.105(2) 0.080 Uiso 1 d . .
H20A H 0.945(3) 0.930(5) -0.193(2) 0.080 Uiso 1 d . .
H20B H 0.977(3) 0.849(5) -0.152(2) 0.080 Uiso 1 d . .
H21A H 0.839(3) 0.865(5) -0.177(2) 0.080 Uiso 1 d . .
H21B H 0.878(3) 0.777(5) -0.194(2) 0.080 Uiso 1 d . .
H22A H 0.831(3) 0.726(5) -0.109(2) 0.080 Uiso 1 d . .
H22B H 0.910(3) 0.719(5) -0.098(2) 0.080 Uiso 1 d . .
H23 H 0.901(3) 0.927(5) 0.072(2) 0.080 Uiso 1 d . .
H24A H 0.791(3) 0.857(5) 0.130(2) 0.080 Uiso 1 d . .
H24B H 0.857(3) 0.803(5) 0.147(2) 0.080 Uiso 1 d . .
H25A H 0.900(3) 0.984(5) 0.181(2) 0.080 Uiso 1 d . .
H25B H 0.833(3) 0.933(4) 0.219(2) 0.080 Uiso 1 d . .
H26A H 0.823(3) 1.117(5) 0.183(2) 0.080 Uiso 1 d . .
H26B H 0.763(3) 1.036(4) 0.160(2) 0.080 Uiso 1 d . .
H27A H 0.810(3) 1.158(5) 0.081(2) 0.080 Uiso 1 d . .
H27B H 0.885(3) 1.107(5) 0.099(2) 0.080 Uiso 1 d . .
H28A H 0.762(3) 0.984(4) 0.047(2) 0.080 Uiso 1 d . .
H28B H 0.833(3) 1.029(4) 0.012(2) 0.080 Uiso 1 d . .
H29 H 0.671(3) 0.905(5) 0.074(2) 0.080 Uiso 1 d . .
H30A H 0.561(3) 0.939(5) 0.040(2) 0.080 Uiso 1 d . .
H30B H 0.535(3) 0.821(5) 0.064(2) 0.080 Uiso 1 d . .
H31A H 0.580(3) 0.991(5) 0.130(3) 0.080 Uiso 1 d . .
H31B H 0.518(3) 0.948(5) 0.137(2) 0.080 Uiso 1 d . .
H32A H 0.581(3) 0.868(4) 0.230(2) 0.080 Uiso 1 d . .
H32B H 0.558(3) 0.786(5) 0.180(3) 0.080 Uiso 1 d . .
H33A H 0.691(3) 0.869(5) 0.185(2) 0.080 Uiso 1 d . .
H33B H 0.669(3) 0.746(5) 0.212(2) 0.080 Uiso 1 d . .
H34A H 0.627(3) 0.713(5) 0.107(2) 0.080 Uiso 1 d . .
H34B H 0.715(3) 0.734(4) 0.109(2) 0.080 Uiso 1 d . .
H35 H 0.711(3) 0.961(4) -0.038(2) 0.080 Uiso 1 d . .
H36A H 0.717(3) 0.829(5) -0.121(2) 0.080 Uiso 1 d . .
H36B H 0.645(3) 0.855(5) -0.137(2) 0.080 Uiso 1 d . .
H37A H 0.713(3) 0.953(4) -0.200(2) 0.080 Uiso 1 d . .
H37B H 0.748(3) 1.013(5) -0.142(2) 0.080 Uiso 1 d . .
H38A H 0.669(3) 1.122(5) -0.179(2) 0.080 Uiso 1 d . .
H38B H 0.606(3) 1.036(4) -0.180(2) 0.080 Uiso 1 d . .
H39A H 0.686(3) 1.117(5) -0.074(2) 0.080 Uiso 1 d . .
H39B H 0.609(3) 1.144(5) -0.096(2) 0.080 Uiso 1 d . .
H40A H 0.613(3) 1.022(4) -0.004(2) 0.080 Uiso 1 d . .
H40B H 0.579(3) 0.967(5) -0.076(2) 0.080 Uiso 1 d . .
H41 H 0.690(3) 0.446(5) -0.093(2) 0.080 Uiso 1 d . .
H42A H 0.694(3) 0.615(5) -0.135(2) 0.080 Uiso 1 d . .
H42B H 0.614(3) 0.619(5) -0.148(2) 0.080 Uiso 1 d . .
H43A H 0.700(3) 0.486(5) -0.203(2) 0.080 Uiso 1 d . .
H43B H 0.667(3) 0.570(5) -0.233(2) 0.080 Uiso 1 d . .
H44A H 0.607(3) 0.424(5) -0.257(3) 0.080 Uiso 1 d . .
H44B H 0.564(3) 0.492(5) -0.228(2) 0.080 Uiso 1 d . .
H45A H 0.554(3) 0.326(5) -0.186(2) 0.080 Uiso 1 d . .
H45B H 0.631(3) 0.327(5) -0.171(2) 0.080 Uiso 1 d . .
H46A H 0.582(3) 0.373(5) -0.084(2) 0.080 Uiso 1 d . .
H46B H 0.548(3) 0.473(5) -0.116(2) 0.080 Uiso 1 d . .
H47 H 0.587(3) 0.405(5) 0.009(2) 0.080 Uiso 1 d . .
H48A H 0.673(3) 0.478(5) 0.111(2) 0.080 Uiso 1 d . .
H48B H 0.601(3) 0.523(5) 0.096(2) 0.080 Uiso 1 d . .
H49A H 0.603(3) 0.394(4) 0.176(2) 0.080 Uiso 1 d . .
H49B H 0.552(3) 0.346(5) 0.111(2) 0.080 Uiso 1 d . .
H50A H 0.630(3) 0.209(5) 0.143(2) 0.080 Uiso 1 d . .
H50B H 0.692(3) 0.297(5) 0.139(2) 0.080 Uiso 1 d . .
H51A H 0.677(3) 0.188(5) 0.057(2) 0.080 Uiso 1 d . .
H51B H 0.598(3) 0.219(4) 0.037(2) 0.080 Uiso 1 d . .
H52A H 0.720(3) 0.354(5) 0.036(2) 0.080 Uiso 1 d . .
H52B H 0.675(3) 0.308(4) -0.022(2) 0.080 Uiso 1 d . .

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
Ru 0.02831(17) 0.02766(17) 0.04003(18) 0.00003(13) 0.00055(11) 0.00118(14)
P1 0.0315(5) 0.0293(5) 0.0419(5) 0.0011(4) 0.0017(4) 0.0015(4)
C1 0.034(2) 0.042(3) 0.056(3) 0.007(2) 0.0067(19) 0.006(2)
C2 0.035(2) 0.047(3) 0.055(3) 0.005(2) -0.0032(19) -0.005(2)
P2 0.0339(6) 0.0308(6) 0.0416(5) -0.0006(4) 0.0010(4) -0.0018(4)
C5 0.045(2) 0.038(2) 0.041(2) 0.0015(17) -0.0006(17) 0.002(2)
C6 0.060(3) 0.058(3) 0.049(3) -0.008(2) 0.010(2) 0.000(3)
C7 0.103(5) 0.081(4) 0.053(3) -0.009(3) 0.022(3) -0.020(4)
C8 0.132(6) 0.070(4) 0.050(3) 0.011(3) -0.006(3) -0.028(4)
C9 0.120(6) 0.059(4) 0.065(3) 0.015(3) -0.026(3) 0.009(4)
C10 0.063(3) 0.054(3) 0.054(3) 0.000(2) -0.011(2) 0.015(3)
C11 0.043(2) 0.035(2) 0.043(2) 0.0009(17) 0.0084(18) 0.0037(19)
C12 0.070(3) 0.040(3) 0.047(2) 0.0054(19) 0.006(2) 0.013(2)
C13 0.090(4) 0.056(3) 0.048(3) 0.001(2) 0.008(2) 0.012(3)
C14 0.088(4) 0.050(3) 0.055(3) -0.007(2) 0.018(3) 0.011(3)
C15 0.083(4) 0.036(3) 0.059(3) -0.003(2) 0.008(3) 0.013(3)
C16 0.062(3) 0.035(2) 0.054(2) 0.004(2) 0.004(2) 0.008(2)
C17 0.039(2) 0.038(2) 0.046(2) 0.0028(18) 0.0060(17) -0.001(2)
C18 0.053(3) 0.062(3) 0.067(3) 0.007(3) 0.009(2) -0.018(3)
C19 0.064(4) 0.067(4) 0.077(3) 0.007(3) 0.018(3) -0.021(3)
C20 0.080(4) 0.067(4) 0.079(4) 0.020(3) 0.028(3) -0.001(3)
C21 0.109(5) 0.055(3) 0.051(3) -0.006(2) 0.013(3) -0.011(3)
C22 0.083(4) 0.050(3) 0.054(3) -0.002(2) 0.023(3) -0.008(3)
C23 0.051(3) 0.035(2) 0.049(2) -0.0061(18) -0.0004(19) -0.007(2)
C24 0.073(3) 0.042(3) 0.044(2) -0.0048(19) -0.001(2) -0.001(3)
C25 0.103(5) 0.061(4) 0.055(3) -0.013(2) -0.002(3) 0.000(3)
C26 0.110(5) 0.053(3) 0.066(3) -0.020(3) 0.013(3) 0.002(3)
C27 0.082(4) 0.035(3) 0.070(3) -0.007(2) -0.002(3) -0.003(3)
C28 0.058(3) 0.035(2) 0.062(3) 0.004(2) -0.003(2) -0.001(2)
P3 0.0346(6) 0.0327(6) 0.0421(5) -0.0022(4) -0.0002(4) 0.0041(4)
C3 0.037(2) 0.043(3) 0.052(2) -0.001(2) -0.0045(19) 0.006(2)
C4 0.031(2) 0.046(3) 0.048(2) -0.0024(19) 0.0037(17) -0.0005(19)
P4 0.0323(5) 0.0316(5) 0.0386(5) 0.0006(4) 0.0007(4) -0.0015(4)
C29 0.045(2) 0.039(2) 0.047(2) -0.0047(19) 0.0055(18) 0.005(2)
C30 0.054(3) 0.086(4) 0.065(3) -0.018(3) 0.007(2) 0.020(3)
C31 0.068(4) 0.115(6) 0.091(5) -0.045(5) 0.015(3) 0.019(4)
C32 0.081(5) 0.142(7) 0.058(3) -0.010(4) 0.012(3) -0.020(4)
C33 0.084(4) 0.095(5) 0.050(3) 0.000(3) 0.003(3) -0.016(4)
C34 0.072(4) 0.050(3) 0.053(3) 0.002(2) 0.003(2) -0.005(3)
C35 0.053(3) 0.035(2) 0.053(2) -0.0014(18) -0.005(2) 0.005(2)
C36 0.067(3) 0.044(3) 0.049(3) 0.004(2) 0.007(2) 0.003(3)
C37 0.097(4) 0.057(3) 0.065(3) 0.014(3) 0.013(3) 0.005(3)
C38 0.109(5) 0.056(4) 0.074(4) 0.026(3) 0.002(3) 0.010(4)
C39 0.106(5) 0.040(3) 0.082(4) 0.010(3) 0.002(3) 0.017(3)
C40 0.069(3) 0.042(3) 0.081(3) 0.007(2) -0.001(3) 0.010(3)
C41 0.039(2) 0.035(2) 0.038(2) -0.0028(17) 0.0025(16) -0.0009(19)
C42 0.064(3) 0.053(3) 0.043(2) 0.002(2) -0.005(2) -0.015(3)
C43 0.081(4) 0.073(4) 0.036(2) 0.003(2) 0.004(2) 0.004(3)
C44 0.088(4) 0.064(4) 0.047(3) -0.015(2) -0.008(3) 0.002(3)
C45 0.096(4) 0.064(4) 0.056(3) -0.015(2) -0.002(3) -0.021(3)
C46 0.064(3) 0.061(3) 0.051(3) -0.007(2) 0.000(2) -0.022(3)
C47 0.049(3) 0.040(2) 0.040(2) 0.0007(17) 0.0024(18) -0.008(2)
C48 0.068(3) 0.045(3) 0.046(2) 0.001(2) 0.007(2) -0.014(2)
C49 0.078(4) 0.059(3) 0.044(2) 0.002(2) 0.011(2) -0.011(3)
C50 0.077(4) 0.063(4) 0.064(3) 0.018(3) 0.012(3) -0.002(3)
C51 0.070(4) 0.042(3) 0.067(3) 0.010(2) 0.016(3) 0.009(3)
C52 0.047(3) 0.046(3) 0.059(3) 0.007(2) 0.006(2) 0.000(2)
P5 0.0569(11) 0.0678(13) 0.0467(9) 0.000 0.0011(7) 0.000
F1 0.088(2) 0.141(3) 0.0517(16) -0.0050(18) 0.0004(14) 0.004(2)
F2 0.250(10) 0.073(4) 0.197(8) 0.000 0.028(7) 0.000
F3 0.061(2) 0.283(7) 0.072(2) -0.024(3) 0.0048(16) 0.005(3)
F4 0.288(10) 0.070(4) 0.116(5) 0.000 0.062(5) 0.000
P6 0.0496(10) 0.0741(13) 0.0536(10) 0.000 -0.0027(8) 0.000
F5 0.111(3) 0.107(3) 0.0736(19) 0.0288(19) 0.0138(17) 0.032(2)
F6 0.091(3) 0.120(3) 0.161(3) -0.080(3) 0.050(2) -0.025(2)
F7 0.0534(17) 0.128(3) 0.079(2) -0.0334(19) 0.0018(14) 0.0021(19)

_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
Ru P3 2.3454(11) . ?
Ru P1 2.3484(10) . ?
Ru P2 2.3710(11) . ?
Ru P4 2.3746(11) . ?
Ru H34B 2.59(5) . ?
Ru H6B 2.84(5) . ?
Ru C34 3.332(5) . ?
Ru C6 3.511(5) . ?
P1 C1 1.845(4) . ?
P1 C11 1.862(4) . ?
P1 C5 1.870(4) . ?
C1 C2 1.520(6) . ?
C1 H1A 0.92(5) . ?
C1 H1B 0.87(6) . ?
C2 P2 1.849(4) . ?
C2 H2A 0.96(6) . ?
C2 H2B 0.91(5) . ?
P2 C17 1.873(4) . ?
P2 C23 1.881(4) . ?
C5 C6 1.528(6) . ?
C5 C10 1.533(6) . ?
C5 H5 0.96(6) . ?
C6 C7 1.509(7) . ?
C6 H6A 1.00(6) . ?
C6 H6B 0.99(6) . ?
C7 C8 1.518(10) . ?
C7 H7A 0.96(6) . ?
C7 H7B 0.91(6) . ?
C8 C9 1.499(9) . ?
C8 H8A 0.97(6) . ?
C8 H8B 0.98(5) . ?
C9 C10 1.526(8) . ?
C9 H9A 0.96(6) . ?
C9 H9B 0.94(6) . ?
C10 H10A 0.95(6) . ?
C10 H10B 0.95(6) . ?
C11 C16 1.513(6) . ?
C11 C12 1.541(6) . ?
C11 H11 0.97(6) . ?
C12 C13 1.525(7) . ?
C12 H12A 0.98(6) . ?
C12 H12B 0.98(6) . ?
C13 C14 1.505(7) . ?
C13 H13A 1.07(6) . ?
C13 H13B 1.02(5) . ?
C14 C15 1.518(7) . ?
C14 H14A 0.93(6) . ?
C14 H14B 1.01(6) . ?
C15 C16 1.532(7) . ?
C15 H15A 0.92(6) . ?
C15 H15B 0.92(6) . ?
C16 H16A 0.96(6) . ?
C16 H16B 1.06(5) . ?
C17 C22 1.541(6) . ?
C17 C18 1.542(6) . ?
C17 H17 0.95(6) . ?
C18 C19 1.525(7) . ?
C18 H18A 0.92(6) . ?
C18 H18B 1.04(6) . ?
C19 C20 1.492(9) . ?
C19 H19A 0.96(6) . ?
C19 H19B 0.80(6) . ?
C20 C21 1.503(8) . ?
C20 H20A 0.90(6) . ?
C20 H20B 0.84(6) . ?
C21 C22 1.540(7) . ?
C21 H21A 1.01(6) . ?
C21 H21B 0.88(6) . ?
C22 H22A 0.93(6) . ?
C22 H22B 0.95(6) . ?
C23 C28 1.509(6) . ?
C23 C24 1.528(6) . ?
C23 H23 0.97(6) . ?
C24 C25 1.532(7) . ?
C24 H24A 0.90(6) . ?
C24 H24B 0.96(6) . ?
C25 C26 1.495(8) . ?
C25 H25A 1.00(6) . ?
C25 H25B 1.06(5) . ?
C26 C27 1.506(8) . ?
C26 H26A 0.88(6) . ?
C26 H26B 1.12(6) . ?
C27 C28 1.531(7) . ?
C27 H27A 1.01(6) . ?
C27 H27B 0.97(6) . ?
C28 H28A 1.10(5) . ?
C28 H28B 1.03(5) . ?
P3 C3 1.847(4) . ?
P3 C35 1.860(5) . ?
P3 C29 1.867(4) . ?
C3 C4 1.512(6) . ?
C3 H3A 0.92(6) . ?
C3 H3B 0.93(5) . ?
C4 P4 1.858(4) . ?
C4 H4A 0.96(6) . ?
C4 H4B 0.91(5) . ?
P4 C41 1.875(4) . ?
P4 C47 1.877(4) . ?
C29 C30 1.523(6) . ?
C29 C34 1.545(6) . ?
C29 H29 0.95(6) . ?
C30 C31 1.556(8) . ?
C30 H30A 0.99(6) . ?
C30 H30B 1.01(6) . ?
C31 C32 1.481(11) . ?
C31 H31A 0.92(6) . ?
C31 H31B 0.91(6) . ?
C32 C33 1.489(9) . ?
C32 H32A 1.09(5) . ?
C32 H32B 0.90(6) . ?
C33 C34 1.533(7) . ?
C33 H33A 1.06(6) . ?
C33 H33B 1.09(6) . ?
C34 H34A 0.89(6) . ?
C34 H34B 1.14(6) . ?
C35 C36 1.520(6) . ?
C35 C40 1.528(7) . ?
C35 H35 0.98(6) . ?
C36 C37 1.529(7) . ?
C36 H36A 0.90(6) . ?
C36 H36B 0.89(6) . ?
C37 C38 1.494(8) . ?
C37 H37A 1.05(5) . ?
C37 H37B 1.00(6) . ?
C38 C39 1.497(8) . ?
C38 H38A 0.95(6) . ?
C38 H38B 1.08(6) . ?
C39 C40 1.540(8) . ?
C39 H39A 0.94(6) . ?
C39 H39B 0.88(6) . ?
C40 H40A 1.20(5) . ?
C40 H40B 1.01(6) . ?
C41 C46 1.523(6) . ?
C41 C42 1.535(6) . ?
C41 H41 0.94(6) . ?
C42 C43 1.524(7) . ?
C42 H42A 0.89(6) . ?
C42 H42B 1.00(6) . ?
C43 C44 1.492(8) . ?
C43 H43A 0.88(6) . ?
C43 H43B 0.89(6) . ?
C44 C45 1.511(8) . ?
C44 H44A 0.87(6) . ?
C44 H44B 0.87(6) . ?
C45 C46 1.520(7) . ?
C45 H45A 0.93(6) . ?
C45 H45B 0.95(6) . ?
C46 H46A 0.92(6) . ?
C46 H46B 0.99(6) . ?
C47 C52 1.523(6) . ?
C47 C48 1.535(6) . ?
C47 H47 0.97(5) . ?
C48 C49 1.522(6) . ?
C48 H48A 0.97(6) . ?
C48 H48B 0.97(6) . ?
C49 C50 1.520(8) . ?
C49 H49A 1.09(5) . ?
C49 H49B 1.04(6) . ?
C50 C51 1.515(7) . ?
C50 H50A 0.90(6) . ?
C50 H50B 1.02(6) . ?
C51 C52 1.547(7) . ?
C51 H51A 0.85(6) . ?
C51 H51B 1.03(6) . ?
C52 H52A 0.94(6) . ?
C52 H52B 1.05(5) . ?
P5 F2 1.508(7) . ?
P5 F3 1.554(3) 2_655 ?
P5 F3 1.554(3) . ?
P5 F4 1.555(6) . ?
P5 F1 1.577(3) 2_655 ?
P5 F1 1.577(3) . ?
P6 F6 1.566(4) 2_755 ?
P6 F6 1.566(4) . ?
P6 F7 1.584(3) . ?
P6 F7 1.584(3) 2_755 ?
P6 F5 1.591(4) 2_755 ?
P6 F5 1.591(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
P3 Ru P1 179.69(4) . . ?
P3 Ru P2 96.81(4) . . ?
P1 Ru P2 82.90(4) . . ?
P3 Ru P4 82.40(4) . . ?
P1 Ru P4 97.91(4) . . ?
P2 Ru P4 171.26(4) . . ?
P3 Ru H34B 69.5(13) . . ?
P1 Ru H34B 110.4(13) . . ?
P2 Ru H34B 89.1(12) . . ?
P4 Ru H34B 98.7(12) . . ?
P3 Ru H6B 115.4(11) . . ?
P1 Ru H6B 64.6(11) . . ?
P2 Ru H6B 95.4(11) . . ?
P4 Ru H6B 92.8(11) . . ?
H34B Ru H6B 47.6(17) . . ?
P3 Ru C34 55.44(9) . . ?
P1 Ru C34 124.47(9) . . ?
P2 Ru C34 99.64(10) . . ?
P4 Ru C34 87.11(10) . . ?
H34B Ru C34 16.9(12) . . ?
H6B Ru C34 60.0(11) . . ?
P3 Ru C6 127.23(8) . . ?
P1 Ru C6 52.65(8) . . ?
P2 Ru C6 87.90(10) . . ?
P4 Ru C6 99.53(10) . . ?
H34B Ru C6 58.0(13) . . ?
H6B Ru C6 13.2(11) . . ?
C34 Ru C6 71.92(12) . . ?
C1 P1 C11 103.7(2) . . ?
C1 P1 C5 103.4(2) . . ?
C11 P1 C5 104.76(18) . . ?
C1 P1 Ru 109.98(14) . . ?
C11 P1 Ru 119.30(14) . . ?
C5 P1 Ru 114.14(14) . . ?
C2 C1 P1 109.7(3) . . ?
C2 C1 H1A 113(4) . . ?
P1 C1 H1A 101(3) . . ?
C2 C1 H1B 108(4) . . ?
P1 C1 H1B 110(4) . . ?
H1A C1 H1B 115(5) . . ?
C1 C2 P2 111.1(3) . . ?
C1 C2 H2A 112(3) . . ?
P2 C2 H2A 105(3) . . ?
C1 C2 H2B 113(4) . . ?
P2 C2 H2B 103(3) . . ?
H2A C2 H2B 113(5) . . ?
C2 P2 C17 103.1(2) . . ?
C2 P2 C23 98.1(2) . . ?
C17 P2 C23 102.39(19) . . ?
C2 P2 Ru 108.55(15) . . ?
C17 P2 Ru 116.17(13) . . ?
C23 P2 Ru 125.18(15) . . ?
C6 C5 C10 108.2(4) . . ?
C6 C5 P1 110.5(3) . . ?
C10 C5 P1 118.6(3) . . ?
C6 C5 H5 107(3) . . ?
C10 C5 H5 111(3) . . ?
P1 C5 H5 101(3) . . ?
C7 C6 C5 111.7(5) . . ?
C7 C6 Ru 154.3(4) . . ?
C5 C6 Ru 78.9(2) . . ?
C7 C6 H6A 109(3) . . ?
C5 C6 H6A 110(3) . . ?
Ru C6 H6A 88(3) . . ?
C7 C6 H6B 115(3) . . ?
C5 C6 H6B 110(3) . . ?
Ru C6 H6B 41(3) . . ?
H6A C6 H6B 101(4) . . ?
C6 C7 C8 111.5(5) . . ?
C6 C7 H7A 110(3) . . ?
C8 C7 H7A 115(3) . . ?
C6 C7 H7B 112(3) . . ?
C8 C7 H7B 100(4) . . ?
H7A C7 H7B 108(5) . . ?
C9 C8 C7 112.2(5) . . ?
C9 C8 H8A 109(3) . . ?
C7 C8 H8A 108(3) . . ?
C9 C8 H8B 116(3) . . ?
C7 C8 H8B 103(3) . . ?
H8A C8 H8B 108(4) . . ?
C8 C9 C10 111.7(5) . . ?
C8 C9 H9A 118(3) . . ?
C10 C9 H9A 102(3) . . ?
C8 C9 H9B 113(4) . . ?
C10 C9 H9B 106(3) . . ?
H9A C9 H9B 104(5) . . ?
C9 C10 C5 109.9(5) . . ?
C9 C10 H10A 112(3) . . ?
C5 C10 H10A 108(3) . . ?
C9 C10 H10B 113(3) . . ?
C5 C10 H10B 108(3) . . ?
H10A C10 H10B 106(5) . . ?
C16 C11 C12 110.5(4) . . ?
C16 C11 P1 117.5(3) . . ?
C12 C11 P1 112.5(3) . . ?
C16 C11 H11 99(3) . . ?
C12 C11 H11 110(3) . . ?
P1 C11 H11 106(3) . . ?
C13 C12 C11 110.1(4) . . ?
C13 C12 H12A 109(3) . . ?
C11 C12 H12A 108(3) . . ?
C13 C12 H12B 109(3) . . ?
C11 C12 H12B 109(3) . . ?
H12A C12 H12B 112(5) . . ?
C14 C13 C12 112.2(4) . . ?
C14 C13 H13A 111(3) . . ?
C12 C13 H13A 111(3) . . ?
C14 C13 H13B 105(3) . . ?
C12 C13 H13B 107(3) . . ?
H13A C13 H13B 112(4) . . ?
C13 C14 C15 110.4(4) . . ?
C13 C14 H14A 114(4) . . ?
C15 C14 H14A 102(3) . . ?
C13 C14 H14B 104(3) . . ?
C15 C14 H14B 112(3) . . ?
H14A C14 H14B 113(5) . . ?
C14 C15 C16 112.4(4) . . ?
C14 C15 H15A 108(4) . . ?
C16 C15 H15A 107(4) . . ?
C14 C15 H15B 114(3) . . ?
C16 C15 H15B 108(3) . . ?
H15A C15 H15B 108(5) . . ?
C11 C16 C15 110.8(4) . . ?
C11 C16 H16A 106(3) . . ?
C15 C16 H16A 113(3) . . ?
C11 C16 H16B 111(3) . . ?
C15 C16 H16B 108(3) . . ?
H16A C16 H16B 107(4) . . ?
C22 C17 C18 108.1(4) . . ?
C22 C17 P2 113.8(3) . . ?
C18 C17 P2 115.5(3) . . ?
C22 C17 H17 110(3) . . ?
C18 C17 H17 108(3) . . ?
P2 C17 H17 102(3) . . ?
C19 C18 C17 110.6(4) . . ?
C19 C18 H18A 110(3) . . ?
C17 C18 H18A 106(4) . . ?
C19 C18 H18B 108(3) . . ?
C17 C18 H18B 111(3) . . ?
H18A C18 H18B 110(5) . . ?
C20 C19 C18 112.3(5) . . ?
C20 C19 H19A 109(3) . . ?
C18 C19 H19A 106(3) . . ?
C20 C19 H19B 108(4) . . ?
C18 C19 H19B 111(4) . . ?
H19A C19 H19B 111(6) . . ?
C19 C20 C21 110.9(5) . . ?
C19 C20 H20A 109(4) . . ?
C21 C20 H20A 108(4) . . ?
C19 C20 H20B 113(4) . . ?
C21 C20 H20B 103(4) . . ?
H20A C20 H20B 113(5) . . ?
C20 C21 C22 112.3(5) . . ?
C20 C21 H21A 112(3) . . ?
C22 C21 H21A 107(3) . . ?
C20 C21 H21B 117(4) . . ?
C22 C21 H21B 110(4) . . ?
H21A C21 H21B 98(5) . . ?
C21 C22 C17 110.7(4) . . ?
C21 C22 H22A 111(3) . . ?
C17 C22 H22A 107(3) . . ?
C21 C22 H22B 105(3) . . ?
C17 C22 H22B 112(3) . . ?
H22A C22 H22B 111(5) . . ?
C28 C23 C24 109.4(4) . . ?
C28 C23 P2 116.2(3) . . ?
C24 C23 P2 111.9(3) . . ?
C28 C23 H23 98(3) . . ?
C24 C23 H23 112(3) . . ?
P2 C23 H23 109(3) . . ?
C23 C24 C25 111.7(4) . . ?
C23 C24 H24A 107(3) . . ?
C25 C24 H24A 108(4) . . ?
C23 C24 H24B 113(3) . . ?
C25 C24 H24B 112(3) . . ?
H24A C24 H24B 106(5) . . ?
C26 C25 C24 112.1(5) . . ?
C26 C25 H25A 98(3) . . ?
C24 C25 H25A 113(3) . . ?
C26 C25 H25B 111(3) . . ?
C24 C25 H25B 105(3) . . ?
H25A C25 H25B 117(4) . . ?
C25 C26 C27 111.2(5) . . ?
C25 C26 H26A 116(4) . . ?
C27 C26 H26A 111(4) . . ?
C25 C26 H26B 98(3) . . ?
C27 C26 H26B 115(3) . . ?
H26A C26 H26B 105(5) . . ?
C26 C27 C28 110.9(4) . . ?
C26 C27 H27A 111(3) . . ?
C28 C27 H27A 108(3) . . ?
C26 C27 H27B 108(3) . . ?
C28 C27 H27B 110(3) . . ?
H27A C27 H27B 109(5) . . ?
C23 C28 C27 111.1(4) . . ?
C23 C28 H28A 107(3) . . ?
C27 C28 H28A 112(3) . . ?
C23 C28 H28B 111(3) . . ?
C27 C28 H28B 105(3) . . ?
H28A C28 H28B 110(4) . . ?
C3 P3 C35 103.1(2) . . ?
C3 P3 C29 103.5(2) . . ?
C35 P3 C29 107.3(2) . . ?
C3 P3 Ru 111.30(15) . . ?
C35 P3 Ru 120.17(15) . . ?
C29 P3 Ru 110.00(14) . . ?
C4 C3 P3 109.6(3) . . ?
C4 C3 H3A 114(3) . . ?
P3 C3 H3A 108(3) . . ?
C4 C3 H3B 114(4) . . ?
P3 C3 H3B 106(3) . . ?
H3A C3 H3B 104(5) . . ?
C3 C4 P4 111.9(3) . . ?
C3 C4 H4A 114(3) . . ?
P4 C4 H4A 108(3) . . ?
C3 C4 H4B 110(4) . . ?
P4 C4 H4B 105(3) . . ?
H4A C4 H4B 107(4) . . ?
C4 P4 C41 102.51(19) . . ?
C4 P4 C47 98.2(2) . . ?
C41 P4 C47 102.16(18) . . ?
C4 P4 Ru 108.94(14) . . ?
C41 P4 Ru 115.64(13) . . ?
C47 P4 Ru 125.90(14) . . ?
C30 C29 C34 108.4(4) . . ?
C30 C29 P3 119.4(3) . . ?
C34 C29 P3 108.8(3) . . ?
C30 C29 H29 110(3) . . ?
C34 C29 H29 106(3) . . ?
P3 C29 H29 104(3) . . ?
C29 C30 C31 109.9(4) . . ?
C29 C30 H30A 102(3) . . ?
C31 C30 H30A 114(3) . . ?
C29 C30 H30B 110(3) . . ?
C31 C30 H30B 108(3) . . ?
H30A C30 H30B 114(4) . . ?
C32 C31 C30 112.9(6) . . ?
C32 C31 H31A 128(4) . . ?
C30 C31 H31A 96(4) . . ?
C32 C31 H31B 115(4) . . ?
C30 C31 H31B 106(3) . . ?
H31A C31 H31B 96(5) . . ?
C31 C32 C33 112.0(5) . . ?
C31 C32 H32A 117(3) . . ?
C33 C32 H32A 108(3) . . ?
C31 C32 H32B 112(4) . . ?
C33 C32 H32B 105(4) . . ?
H32A C32 H32B 102(4) . . ?
C32 C33 C34 110.6(5) . . ?
C32 C33 H33A 111(3) . . ?
C34 C33 H33A 107(3) . . ?
C32 C33 H33B 110(3) . . ?
C34 C33 H33B 112(3) . . ?
H33A C33 H33B 106(4) . . ?
C33 C34 C29 111.6(4) . . ?
C33 C34 Ru 152.6(4) . . ?
C29 C34 Ru 81.6(2) . . ?
C33 C34 H34A 107(4) . . ?
C29 C34 H34A 102(4) . . ?
Ru C34 H34A 92(4) . . ?
C33 C34 H34B 111(3) . . ?
C29 C34 H34B 108(3) . . ?
Ru C34 H34B 41(3) . . ?
H34A C34 H34B 116(5) . . ?
C36 C35 C40 110.9(4) . . ?
C36 C35 P3 111.5(3) . . ?
C40 C35 P3 115.9(3) . . ?
C36 C35 H35 114(3) . . ?
C40 C35 H35 91(3) . . ?
P3 C35 H35 112(3) . . ?
C35 C36 C37 110.6(4) . . ?
C35 C36 H36A 111(3) . . ?
C37 C36 H36A 109(4) . . ?
C35 C36 H36B 109(4) . . ?
C37 C36 H36B 107(4) . . ?
H36A C36 H36B 110(5) . . ?
C38 C37 C36 111.6(5) . . ?
C38 C37 H37A 113(3) . . ?
C36 C37 H37A 111(3) . . ?
C38 C37 H37B 102(3) . . ?
C36 C37 H37B 117(3) . . ?
H37A C37 H37B 102(4) . . ?
C37 C38 C39 111.4(5) . . ?
C37 C38 H38A 107(3) . . ?
C39 C38 H38A 113(3) . . ?
C37 C38 H38B 107(3) . . ?
C39 C38 H38B 111(3) . . ?
H38A C38 H38B 107(4) . . ?
C38 C39 C40 112.2(5) . . ?
C38 C39 H39A 108(3) . . ?
C40 C39 H39A 103(4) . . ?
C38 C39 H39B 107(4) . . ?
C40 C39 H39B 108(4) . . ?
H39A C39 H39B 119(5) . . ?
C35 C40 C39 109.0(5) . . ?
C35 C40 H40A 109(2) . . ?
C39 C40 H40A 115(3) . . ?
C35 C40 H40B 104(3) . . ?
C39 C40 H40B 110(3) . . ?
H40A C40 H40B 109(4) . . ?
C46 C41 C42 107.9(4) . . ?
C46 C41 P4 116.6(3) . . ?
C42 C41 P4 112.0(3) . . ?
C46 C41 H41 111(3) . . ?
C42 C41 H41 107(3) . . ?
P4 C41 H41 102(3) . . ?
C43 C42 C41 110.6(4) . . ?
C43 C42 H42A 107(3) . . ?
C41 C42 H42A 112(4) . . ?
C43 C42 H42B 106(3) . . ?
C41 C42 H42B 110(3) . . ?
H42A C42 H42B 111(5) . . ?
C44 C43 C42 111.4(5) . . ?
C44 C43 H43A 111(4) . . ?
C42 C43 H43A 110(4) . . ?
C44 C43 H43B 109(4) . . ?
C42 C43 H43B 113(4) . . ?
H43A C43 H43B 102(5) . . ?
C43 C44 C45 111.4(5) . . ?
C43 C44 H44A 108(4) . . ?
C45 C44 H44A 111(4) . . ?
C43 C44 H44B 111(4) . . ?
C45 C44 H44B 107(4) . . ?
H44A C44 H44B 108(5) . . ?
C44 C45 C46 111.0(5) . . ?
C44 C45 H45A 114(3) . . ?
C46 C45 H45A 111(3) . . ?
C44 C45 H45B 107(3) . . ?
C46 C45 H45B 106(3) . . ?
H45A C45 H45B 108(5) . . ?
C45 C46 C41 111.8(4) . . ?
C45 C46 H46A 114(3) . . ?
C41 C46 H46A 107(3) . . ?
C45 C46 H46B 111(3) . . ?
C41 C46 H46B 105(3) . . ?
H46A C46 H46B 108(5) . . ?
C52 C47 C48 109.7(4) . . ?
C52 C47 P4 114.5(3) . . ?
C48 C47 P4 113.2(3) . . ?
C52 C47 H47 101(3) . . ?
C48 C47 H47 112(3) . . ?
P4 C47 H47 106(3) . . ?
C49 C48 C47 112.1(4) . . ?
C49 C48 H48A 110(3) . . ?
C47 C48 H48A 108(3) . . ?
C49 C48 H48B 114(3) . . ?
C47 C48 H48B 107(3) . . ?
H48A C48 H48B 105(5) . . ?
C50 C49 C48 111.0(4) . . ?
C50 C49 H49A 113(3) . . ?
C48 C49 H49A 105(3) . . ?
C50 C49 H49B 106(3) . . ?
C48 C49 H49B 109(3) . . ?
H49A C49 H49B 112(4) . . ?
C51 C50 C49 110.4(4) . . ?
C51 C50 H50A 108(4) . . ?
C49 C50 H50A 113(4) . . ?
C51 C50 H50B 108(3) . . ?
C49 C50 H50B 98(3) . . ?
H50A C50 H50B 119(5) . . ?
C50 C51 C52 110.4(5) . . ?
C50 C51 H51A 107(4) . . ?
C52 C51 H51A 104(4) . . ?
C50 C51 H51B 113(3) . . ?
C52 C51 H51B 107(3) . . ?
H51A C51 H51B 116(5) . . ?
C47 C52 C51 110.4(4) . . ?
C47 C52 H52A 104(3) . . ?
C51 C52 H52A 117(3) . . ?
C47 C52 H52B 110(3) . . ?
C51 C52 H52B 109(3) . . ?
H52A C52 H52B 106(4) . . ?
F2 P5 F3 88.3(2) . 2_655 ?
F2 P5 F3 88.3(2) . . ?
F3 P5 F3 176.7(5) 2_655 . ?
F2 P5 F4 180.000(1) . . ?
F3 P5 F4 91.7(2) 2_655 . ?
F3 P5 F4 91.7(2) . . ?
F2 P5 F1 91.57(17) . 2_655 ?
F3 P5 F1 89.07(18) 2_655 2_655 ?
F3 P5 F1 91.02(18) . 2_655 ?
F4 P5 F1 88.43(17) . 2_655 ?
F2 P5 F1 91.57(17) . . ?
F3 P5 F1 91.02(18) 2_655 . ?
F3 P5 F1 89.07(18) . . ?
F4 P5 F1 88.43(17) . . ?
F1 P5 F1 176.9(3) 2_655 . ?
F6 P6 F6 93.4(4) 2_755 . ?
F6 P6 F7 90.0(2) 2_755 . ?
F6 P6 F7 91.13(19) . . ?
F6 P6 F7 91.13(19) 2_755 2_755 ?
F6 P6 F7 90.0(2) . 2_755 ?
F7 P6 F7 178.3(3) . 2_755 ?
F6 P6 F5 89.0(2) 2_755 2_755 ?
F6 P6 F5 177.5(3) . 2_755 ?
F7 P6 F5 88.40(19) . 2_755 ?
F7 P6 F5 90.4(2) 2_755 2_755 ?
F6 P6 F5 177.5(3) 2_755 . ?
F6 P6 F5 89.0(2) . . ?
F7 P6 F5 90.4(2) . . ?
F7 P6 F5 88.40(19) 2_755 . ?
F5 P6 F5 88.5(3) 2_755 . ?

_refine_diff_density_max    0.964
_refine_diff_density_min   -0.289
_refine_diff_density_rms    0.065