# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lp002_0m
_database_code_depnum_ccdc_archive 'CCDC 1413638'
_audit_update_record             
;
2015-07-19 deposited with the CCDC.
2016-01-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C53 H61 N2 O2 P3 Ru'
_chemical_formula_weight         952.02

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'
O O 0.0106 0.0060 '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           trigonal
_symmetry_space_group_name_H-M   R3

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'

_cell_length_a                   35.628(4)
_cell_length_b                   35.628(4)
_cell_length_c                   10.4061(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     11440(2)
_cell_formula_units_Z            9
_cell_measurement_temperature    149(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4482
_exptl_absorpt_coefficient_mu    0.442
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6032
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      149(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_type  kappa
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22160
_diffrn_reflns_av_R_equivalents  0.0976
_diffrn_reflns_av_sigmaI/netI    0.1682
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_h_max       44
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.98
_diffrn_reflns_theta_max         27.51
_reflns_number_total             9852
_reflns_number_gt                6172
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² 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/[σ²(Fo²)+(0.0515P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_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   -0.02(4)
_refine_ls_number_reflns         9852
_refine_ls_number_parameters     526
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.1195
_refine_ls_R_factor_gt           0.0679
_refine_ls_wR_factor_ref         0.1342
_refine_ls_wR_factor_gt          0.1200
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_restrained_S_all      0.935
_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
Ru1 Ru -0.519882(18) -0.451848(18) -0.64899(4) 0.01628(13) Uani 1 1 d . . .
P2 P -0.47585(6) -0.48180(6) -0.61882(16) 0.0160(4) Uani 1 1 d . . .
P1 P -0.59336(6) -0.49818(6) -0.62357(17) 0.0179(4) Uani 1 1 d . . .
P3 P -0.49156(7) -0.38259(6) -0.74476(18) 0.0217(4) Uani 1 1 d . . .
O1 O -0.50524(18) -0.42029(19) -0.3740(5) 0.0395(16) Uani 1 1 d . . .
N1 N -0.5094(2) -0.4106(2) -0.8900(5) 0.0252(15) Uani 1 1 d . . .
N2 N -0.53459(19) -0.4750(2) -0.9679(5) 0.0222(14) Uani 1 1 d . . .
C19 C -0.4168(2) -0.4467(2) -0.5878(7) 0.0220(17) Uani 1 1 d . . .
C20 C -0.3851(3) -0.4513(3) -0.6456(7) 0.0280(19) Uani 1 1 d . . .
H20 H -0.3927 -0.4736 -0.7071 0.034 Uiso 1 1 calc R . .
C35 C -0.4880(3) -0.5845(3) -0.8365(7) 0.033(2) Uani 1 1 d . . .
H35 H -0.4975 -0.6143 -0.8248 0.040 Uiso 1 1 calc R . .
C21 C -0.3418(3) -0.4237(3) -0.6160(7) 0.034(2) Uani 1 1 d . . .
H21 H -0.3203 -0.4279 -0.6566 0.040 Uiso 1 1 calc R . .
C22 C -0.3293(2) -0.3903(3) -0.5288(7) 0.035(2) Uani 1 1 d . . .
H22 H -0.2997 -0.3714 -0.5089 0.042 Uiso 1 1 calc R . .
C23 C -0.3612(3) -0.3856(3) -0.4728(7) 0.029(2) Uani 1 1 d . . .
H23 H -0.3536 -0.3625 -0.4140 0.035 Uiso 1 1 calc R . .
C24 C -0.4036(3) -0.4132(3) -0.4989(7) 0.0259(19) Uani 1 1 d . . .
H24 H -0.4250 -0.4096 -0.4552 0.031 Uiso 1 1 calc R . .
C31 C -0.4739(2) -0.5162(2) -0.7482(6) 0.0192(16) Uani 1 1 d . . .
C36 C -0.4886(2) -0.5601(2) -0.7350(7) 0.0189(17) Uani 1 1 d . . .
H36 H -0.4993 -0.5736 -0.6541 0.023 Uiso 1 1 calc R . .
C34 C -0.4735(2) -0.5656(3) -0.9550(7) 0.033(2) Uani 1 1 d . . .
H34 H -0.4734 -0.5825 -1.0254 0.040 Uiso 1 1 calc R . .
C33 C -0.4593(2) -0.5225(2) -0.9715(7) 0.0233(17) Uani 1 1 d . . .
H33 H -0.4496 -0.5096 -1.0536 0.028 Uiso 1 1 calc R . .
C32 C -0.4591(2) -0.4976(2) -0.8693(7) 0.0245(18) Uani 1 1 d . . .
H32 H -0.4488 -0.4675 -0.8814 0.029 Uiso 1 1 calc R . .
C25 C -0.4878(2) -0.5191(2) -0.4792(6) 0.0185(16) Uani 1 1 d . . .
C26 C -0.5291(3) -0.5396(2) -0.4273(6) 0.0287(19) Uani 1 1 d . . .
H26 H -0.5495 -0.5318 -0.4564 0.034 Uiso 1 1 calc R . .
C27 C -0.5411(3) -0.5711(3) -0.3343(7) 0.038(2) Uani 1 1 d . . .
H27 H -0.5695 -0.5846 -0.2990 0.046 Uiso 1 1 calc R . .
C28 C -0.5121(3) -0.5827(3) -0.2935(8) 0.040(2) Uani 1 1 d . . .
H28 H -0.5208 -0.6055 -0.2328 0.049 Uiso 1 1 calc R . .
C29 C -0.4708(3) -0.5620(3) -0.3388(7) 0.035(2) Uani 1 1 d . . .
H29 H -0.4504 -0.5696 -0.3079 0.042 Uiso 1 1 calc R . .
C30 C -0.4583(3) -0.5292(3) -0.4314(7) 0.0298(19) Uani 1 1 d . . .
H30 H -0.4292 -0.5140 -0.4609 0.036 Uiso 1 1 calc R . .
C7 C -0.6331(2) -0.4855(2) -0.6987(7) 0.0220(17) Uani 1 1 d . . .
C8 C -0.6583(3) -0.4728(3) -0.6361(8) 0.0287(19) Uani 1 1 d . . .
H8 H -0.6580 -0.4725 -0.5448 0.034 Uiso 1 1 calc R . .
C9 C -0.6844(3) -0.4604(3) -0.6994(8) 0.038(2) Uani 1 1 d . . .
H9 H -0.7016 -0.4517 -0.6521 0.045 Uiso 1 1 calc R . .
C10 C -0.6853(3) -0.4607(3) -0.8307(9) 0.045(2) Uani 1 1 d . . .
H10 H -0.7030 -0.4520 -0.8752 0.054 Uiso 1 1 calc R . .
C11 C -0.6605(3) -0.4735(3) -0.8977(8) 0.044(2) Uani 1 1 d . . .
H11 H -0.6614 -0.4739 -0.9889 0.053 Uiso 1 1 calc R . .
C12 C -0.6341(3) -0.4860(3) -0.8344(7) 0.034(2) Uani 1 1 d . . .
H12 H -0.6170 -0.4947 -0.8818 0.041 Uiso 1 1 calc R . .
C13 C -0.6188(2) -0.5549(2) -0.6828(6) 0.0186(16) Uani 1 1 d . . .
C14 C -0.6636(2) -0.5813(2) -0.6993(7) 0.0282(19) Uani 1 1 d . . .
H14 H -0.6825 -0.5704 -0.6805 0.034 Uiso 1 1 calc R . .
C15 C -0.6805(3) -0.6235(3) -0.7432(7) 0.0298(19) Uani 1 1 d . . .
H15 H -0.7109 -0.6412 -0.7543 0.036 Uiso 1 1 calc R . .
C16 C -0.6535(3) -0.6405(3) -0.7714(7) 0.035(2) Uani 1 1 d . . .
H16 H -0.6652 -0.6692 -0.8030 0.042 Uiso 1 1 calc R . .
C17 C -0.6100(3) -0.6149(3) -0.7526(7) 0.033(2) Uani 1 1 d . . .
H17 H -0.5913 -0.6260 -0.7703 0.040 Uiso 1 1 calc R . .
C18 C -0.5928(2) -0.5729(2) -0.7079(6) 0.0245(18) Uani 1 1 d . . .
H18 H -0.5625 -0.5559 -0.6942 0.029 Uiso 1 1 calc R . .
C1 C -0.6133(2) -0.5085(2) -0.4532(6) 0.0235(18) Uani 1 1 d . . .
C6 C -0.6065(2) -0.4743(3) -0.3767(7) 0.0269(19) Uani 1 1 d . . .
H6 H -0.5920 -0.4457 -0.4108 0.032 Uiso 1 1 calc R . .
C5 C -0.6207(3) -0.4810(3) -0.2502(8) 0.041(2) Uani 1 1 d . . .
H5 H -0.6160 -0.4570 -0.1986 0.050 Uiso 1 1 calc R . .
C4 C -0.6420(3) -0.5227(3) -0.1980(7) 0.045(3) Uani 1 1 d . . .
H4 H -0.6524 -0.5275 -0.1121 0.054 Uiso 1 1 calc R . .
C3 C -0.6474(3) -0.5566(3) -0.2748(7) 0.033(2) Uani 1 1 d . . .
H3 H -0.6608 -0.5851 -0.2403 0.040 Uiso 1 1 calc R . .
C2 C -0.6336(2) -0.5499(2) -0.3993(7) 0.0242(18) Uani 1 1 d . . .
H2 H -0.6380 -0.5739 -0.4503 0.029 Uiso 1 1 calc R . .
C41 C -0.4318(2) -0.3446(2) -0.7755(7) 0.0239(18) Uani 1 1 d . . .
C44 C -0.4142(2) -0.3730(2) -0.8323(7) 0.0273(19) Uani 1 1 d . . .
H44A H -0.4262 -0.4002 -0.7842 0.041 Uiso 1 1 calc R . .
H44B H -0.3825 -0.3575 -0.8260 0.041 Uiso 1 1 calc R . .
H44C H -0.4227 -0.3793 -0.9228 0.041 Uiso 1 1 calc R . .
C43 C -0.4102(3) -0.3270(3) -0.6481(7) 0.031(2) Uani 1 1 d . . .
H43A H -0.4192 -0.3071 -0.6142 0.047 Uiso 1 1 calc R . .
H43B H -0.3787 -0.3115 -0.6593 0.047 Uiso 1 1 calc R . .
H43C H -0.4187 -0.3511 -0.5877 0.047 Uiso 1 1 calc R . .
C42 C -0.4202(3) -0.3071(2) -0.8704(7) 0.0268(18) Uani 1 1 d . . .
H42A H -0.4352 -0.3189 -0.9522 0.040 Uiso 1 1 calc R . .
H42B H -0.3888 -0.2912 -0.8849 0.040 Uiso 1 1 calc R . .
H42C H -0.4293 -0.2875 -0.8345 0.040 Uiso 1 1 calc R . .
C37 C -0.5190(3) -0.3493(3) -0.7366(8) 0.039(2) Uani 1 1 d . . .
C40 C -0.5664(3) -0.3803(3) -0.6963(10) 0.056(3) Uani 1 1 d . . .
H40A H -0.5812 -0.4020 -0.7638 0.084 Uiso 1 1 calc R . .
H40B H -0.5813 -0.3638 -0.6834 0.084 Uiso 1 1 calc R . .
H40C H -0.5669 -0.3949 -0.6160 0.084 Uiso 1 1 calc R . .
C39 C -0.5203(3) -0.3273(3) -0.8664(10) 0.064(3) Uani 1 1 d . . .
H39A H -0.4909 -0.3047 -0.8895 0.097 Uiso 1 1 calc R . .
H39B H -0.5387 -0.3143 -0.8559 0.097 Uiso 1 1 calc R . .
H39C H -0.5321 -0.3492 -0.9345 0.097 Uiso 1 1 calc R . .
C38 C -0.4970(3) -0.3143(3) -0.6326(10) 0.057(3) Uani 1 1 d . . .
H38A H -0.4959 -0.3278 -0.5519 0.086 Uiso 1 1 calc R . .
H38B H -0.5136 -0.2994 -0.6197 0.086 Uiso 1 1 calc R . .
H38C H -0.4674 -0.2932 -0.6599 0.086 Uiso 1 1 calc R . .
C47 C -0.5248(2) -0.4528(3) -0.8547(7) 0.0210(17) Uani 1 1 d . . .
C45 C -0.5075(3) -0.4061(3) -1.0232(7) 0.032(2) Uani 1 1 d . . .
H45 H -0.4967 -0.3798 -1.0701 0.038 Uiso 1 1 calc R . .
C46 C -0.5237(3) -0.4454(3) -1.0717(7) 0.037(2) Uani 1 1 d . . .
H46 H -0.5274 -0.4527 -1.1604 0.045 Uiso 1 1 calc R . .
C3AA C -0.5547(3) -0.5213(3) -0.9864(7) 0.032(2) Uani 1 1 d . . .
H3AA H -0.5535 -0.5349 -0.9059 0.048 Uiso 1 1 calc R . .
H3AB H -0.5392 -0.5273 -1.0537 0.048 Uiso 1 1 calc R . .
H3AC H -0.5850 -0.5329 -1.0121 0.048 Uiso 1 1 calc R . .
C48 C -0.5114(2) -0.4330(2) -0.4792(7) 0.0199(17) Uani 1 1 d . . .
C92 C -0.7868(6) -0.4760(5) -0.226(2) 0.112(4) Uiso 0.50 1 d PG A 1
H92A H -0.8104 -0.5063 -0.2378 0.135 Uiso 0.50 1 calc PR A 1
H92B H -0.7771 -0.4719 -0.1356 0.135 Uiso 0.50 1 calc PR A 1
C90 C -0.7490(6) -0.4657(7) -0.317(2) 0.112(4) Uiso 0.50 1 d PG A 1
H90A H -0.7592 -0.4819 -0.3989 0.135 Uiso 0.50 1 calc PR A 1
H90B H -0.7277 -0.4722 -0.2767 0.135 Uiso 0.50 1 calc PR A 1
O7 O -0.8018(4) -0.4463(6) -0.2589(16) 0.112(4) Uiso 0.50 1 d PG A 1
C91 C -0.7296(5) -0.4166(6) -0.338(2) 0.112(4) Uiso 0.50 1 d PG A 1
H91A H -0.7104 -0.3997 -0.2659 0.135 Uiso 0.50 1 calc PR A 1
H91B H -0.7132 -0.4070 -0.4196 0.135 Uiso 0.50 1 calc PR A 1
C93 C -0.7706(6) -0.4128(5) -0.3422(18) 0.112(4) Uiso 0.50 1 d PG A 1
H93A H -0.7642 -0.3839 -0.3118 0.135 Uiso 0.50 1 calc PR A 1
H93B H -0.7819 -0.4170 -0.4311 0.135 Uiso 0.50 1 calc PR A 1
C92A C -0.7765(12) -0.473(2) -0.214(4) 0.343(16) Uiso 0.50 1 d PG B 2
H92C H -0.8029 -0.4761 -0.2556 0.411 Uiso 0.50 1 calc PR B 2
H92D H -0.7828 -0.4808 -0.1220 0.411 Uiso 0.50 1 calc PR B 2
C90A C -0.7626(19) -0.5029(10) -0.280(5) 0.343(16) Uiso 0.50 1 d PG B 2
H90C H -0.7695 -0.5062 -0.3724 0.411 Uiso 0.50 1 calc PR B 2
H90D H -0.7765 -0.5319 -0.2389 0.411 Uiso 0.50 1 calc PR B 2
O7A O -0.741(2) -0.4296(15) -0.228(4) 0.343(16) Uiso 0.50 1 d PG B 2
C91A C -0.7134(19) -0.478(2) -0.256(5) 0.343(16) Uiso 0.50 1 d PG B 2
H91C H -0.7060 -0.4834 -0.1692 0.411 Uiso 0.50 1 calc PR B 2
H91D H -0.6979 -0.4856 -0.3210 0.411 Uiso 0.50 1 calc PR B 2
C93A C -0.7029(13) -0.4308(15) -0.272(4) 0.343(16) Uiso 0.50 1 d PG B 2
H93C H -0.6773 -0.4112 -0.2193 0.411 Uiso 0.50 1 calc PR B 2
H93D H -0.6967 -0.4217 -0.3627 0.411 Uiso 0.50 1 calc PR B 2


_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
Ru1 C48 1.860(8) . ?
Ru1 C47 2.147(7) . ?
Ru1 P1 2.308(2) . ?
Ru1 P2 2.318(2) . ?
Ru1 P3 2.369(2) . ?
P2 C31 1.845(7) . ?
P2 C19 1.862(8) . ?
P2 C25 1.869(7) . ?
P1 C13 1.860(7) . ?
P1 C7 1.861(8) . ?
P1 C1 1.877(7) . ?
P3 N1 1.746(6) . ?
P3 C37 1.880(9) . ?
P3 C41 1.894(8) . ?
O1 C48 1.163(8) . ?
N1 C47 1.371(9) . ?
N1 C45 1.392(8) . ?
N2 C47 1.363(9) . ?
N2 C46 1.421(9) . ?
N2 C3AA 1.444(10) . ?
C19 C20 1.357(10) . ?
C19 C24 1.393(10) . ?
C20 C21 1.387(11) . ?
C20 H20 0.9500 . ?
C35 C36 1.374(9) . ?
C35 C34 1.375(11) . ?
C35 H35 0.9500 . ?
C21 C22 1.382(11) . ?
C21 H21 0.9500 . ?
C22 C23 1.359(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.355(11) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C31 C36 1.387(9) . ?
C31 C32 1.399(9) . ?
C36 H36 0.9500 . ?
C34 C33 1.368(11) . ?
C34 H34 0.9500 . ?
C33 C32 1.383(9) . ?
C33 H33 0.9500 . ?
C32 H32 0.9500 . ?
C25 C30 1.364(10) . ?
C25 C26 1.382(10) . ?
C26 C27 1.378(10) . ?
C26 H26 0.9500 . ?
C27 C28 1.358(11) . ?
C27 H27 0.9500 . ?
C28 C29 1.361(11) . ?
C28 H28 0.9500 . ?
C29 C30 1.404(10) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C7 C8 1.357(10) . ?
C7 C12 1.412(10) . ?
C8 C9 1.380(11) . ?
C8 H8 0.9500 . ?
C9 C10 1.366(11) . ?
C9 H9 0.9500 . ?
C10 C11 1.369(11) . ?
C10 H10 0.9500 . ?
C11 C12 1.391(11) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.388(10) . ?
C13 C14 1.401(10) . ?
C14 C15 1.386(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.401(11) . ?
C15 H15 0.9500 . ?
C16 C17 1.362(11) . ?
C16 H16 0.9500 . ?
C17 C18 1.384(10) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C1 C6 1.374(10) . ?
C1 C2 1.395(10) . ?
C6 C5 1.388(10) . ?
C6 H6 0.9500 . ?
C5 C4 1.397(12) . ?
C5 H5 0.9500 . ?
C4 C3 1.381(11) . ?
C4 H4 0.9500 . ?
C3 C2 1.364(9) . ?
C3 H3 0.9500 . ?
C2 H2 0.9500 . ?
C41 C43 1.503(10) . ?
C41 C42 1.541(10) . ?
C41 C44 1.551(10) . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C37 C38 1.538(12) . ?
C37 C40 1.545(12) . ?
C37 C39 1.572(12) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C45 C46 1.319(11) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C3AA H3AA 0.9800 . ?
C3AA H3AB 0.9800 . ?
C3AA H3AC 0.9800 . ?
C92 O7 1.4432 . ?
C92 C90 1.5349 . ?
C92 H92A 0.9900 . ?
C92 H92B 0.9900 . ?
C90 C91 1.5388 . ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
O7 C93 1.4434 . ?
C91 C93 1.5348 . ?
C91 H91A 0.9900 . ?
C91 H91B 0.9900 . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C92A O7A 1.4433 . ?
C92A C90A 1.5349 . ?
C92A H92C 0.9900 . ?
C92A H92D 0.9900 . ?
C90A C91A 1.5388 . ?
C90A H90C 0.9900 . ?
C90A H90D 0.9900 . ?
O7A C93A 1.4432 . ?
C91A C93A 1.5350 . ?
C91A H91C 0.9900 . ?
C91A H91D 0.9900 . ?
C93A H93C 0.9900 . ?
C93A H93D 0.9900 . ?

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
C48 Ru1 C47 161.9(3) . . ?
C48 Ru1 P1 94.0(2) . . ?
C47 Ru1 P1 92.7(2) . . ?
C48 Ru1 P2 90.7(2) . . ?
C47 Ru1 P2 101.3(2) . . ?
P1 Ru1 P2 116.22(7) . . ?
C48 Ru1 P3 96.7(2) . . ?
C47 Ru1 P3 65.6(2) . . ?
P1 Ru1 P3 122.24(7) . . ?
P2 Ru1 P3 120.18(7) . . ?
C31 P2 C19 99.6(3) . . ?
C31 P2 C25 99.5(3) . . ?
C19 P2 C25 97.0(3) . . ?
C31 P2 Ru1 117.8(2) . . ?
C19 P2 Ru1 120.8(2) . . ?
C25 P2 Ru1 117.8(2) . . ?
C13 P1 C7 96.2(3) . . ?
C13 P1 C1 99.7(3) . . ?
C7 P1 C1 100.7(3) . . ?
C13 P1 Ru1 120.1(3) . . ?
C7 P1 Ru1 120.5(2) . . ?
C1 P1 Ru1 115.6(2) . . ?
N1 P3 C37 104.1(4) . . ?
N1 P3 C41 102.8(3) . . ?
C37 P3 C41 108.0(4) . . ?
N1 P3 Ru1 85.7(2) . . ?
C37 P3 Ru1 123.6(3) . . ?
C41 P3 Ru1 123.9(3) . . ?
C47 N1 C45 111.2(6) . . ?
C47 N1 P3 103.1(5) . . ?
C45 N1 P3 144.4(6) . . ?
C47 N2 C46 109.3(6) . . ?
C47 N2 C3AA 127.8(6) . . ?
C46 N2 C3AA 122.8(6) . . ?
C20 C19 C24 116.9(7) . . ?
C20 C19 P2 124.8(6) . . ?
C24 C19 P2 118.3(6) . . ?
C19 C20 C21 120.9(8) . . ?
C19 C20 H20 119.5 . . ?
C21 C20 H20 119.5 . . ?
C36 C35 C34 120.1(8) . . ?
C36 C35 H35 119.9 . . ?
C34 C35 H35 119.9 . . ?
C22 C21 C20 121.4(8) . . ?
C22 C21 H21 119.3 . . ?
C20 C21 H21 119.3 . . ?
C23 C22 C21 117.3(8) . . ?
C23 C22 H22 121.3 . . ?
C21 C22 H22 121.3 . . ?
C24 C23 C22 121.4(8) . . ?
C24 C23 H23 119.3 . . ?
C22 C23 H23 119.3 . . ?
C23 C24 C19 122.0(8) . . ?
C23 C24 H24 119.0 . . ?
C19 C24 H24 119.0 . . ?
C36 C31 C32 117.7(6) . . ?
C36 C31 P2 124.0(5) . . ?
C32 C31 P2 118.2(5) . . ?
C35 C36 C31 121.3(7) . . ?
C35 C36 H36 119.3 . . ?
C31 C36 H36 119.3 . . ?
C33 C34 C35 119.9(7) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C33 C32 120.4(7) . . ?
C34 C33 H33 119.8 . . ?
C32 C33 H33 119.8 . . ?
C33 C32 C31 120.5(7) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C30 C25 C26 118.3(7) . . ?
C30 C25 P2 122.6(6) . . ?
C26 C25 P2 119.0(5) . . ?
C27 C26 C25 121.4(8) . . ?
C27 C26 H26 119.3 . . ?
C25 C26 H26 119.3 . . ?
C28 C27 C26 119.5(8) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C27 C28 C29 120.6(8) . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C28 C29 C30 119.7(8) . . ?
C28 C29 H29 120.2 . . ?
C30 C29 H29 120.2 . . ?
C25 C30 C29 120.3(8) . . ?
C25 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C8 C7 C12 117.9(7) . . ?
C8 C7 P1 126.1(6) . . ?
C12 C7 P1 115.8(6) . . ?
C7 C8 C9 122.7(8) . . ?
C7 C8 H8 118.6 . . ?
C9 C8 H8 118.6 . . ?
C10 C9 C8 119.4(8) . . ?
C10 C9 H9 120.3 . . ?
C8 C9 H9 120.3 . . ?
C9 C10 C11 119.7(8) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C10 C11 C12 121.1(8) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C11 C12 C7 119.1(8) . . ?
C11 C12 H12 120.5 . . ?
C7 C12 H12 120.5 . . ?
C18 C13 C14 117.9(7) . . ?
C18 C13 P1 119.2(6) . . ?
C14 C13 P1 122.9(6) . . ?
C15 C14 C13 119.9(8) . . ?
C15 C14 H14 120.1 . . ?
C13 C14 H14 120.1 . . ?
C14 C15 C16 121.2(7) . . ?
C14 C15 H15 119.4 . . ?
C16 C15 H15 119.4 . . ?
C17 C16 C15 118.6(7) . . ?
C17 C16 H16 120.7 . . ?
C15 C16 H16 120.7 . . ?
C16 C17 C18 120.7(8) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 H17 119.6 . . ?
C17 C18 C13 121.7(7) . . ?
C17 C18 H18 119.1 . . ?
C13 C18 H18 119.1 . . ?
C6 C1 C2 118.3(6) . . ?
C6 C1 P1 119.4(6) . . ?
C2 C1 P1 122.2(6) . . ?
C1 C6 C5 120.6(8) . . ?
C1 C6 H6 119.7 . . ?
C5 C6 H6 119.7 . . ?
C6 C5 C4 120.6(8) . . ?
C6 C5 H5 119.7 . . ?
C4 C5 H5 119.7 . . ?
C3 C4 C5 118.1(7) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 H4 120.9 . . ?
C2 C3 C4 121.0(8) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
C3 C2 C1 121.2(7) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C43 C41 C42 110.3(6) . . ?
C43 C41 C44 108.5(6) . . ?
C42 C41 C44 107.5(6) . . ?
C43 C41 P3 107.8(5) . . ?
C42 C41 P3 116.5(5) . . ?
C44 C41 P3 105.9(5) . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C38 C37 C40 108.8(7) . . ?
C38 C37 C39 109.3(8) . . ?
C40 C37 C39 107.2(8) . . ?
C38 C37 P3 109.2(6) . . ?
C40 C37 P3 106.7(6) . . ?
C39 C37 P3 115.4(6) . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
N2 C47 N1 104.5(6) . . ?
N2 C47 Ru1 150.0(6) . . ?
N1 C47 Ru1 105.3(5) . . ?
C46 C45 N1 106.9(7) . . ?
C46 C45 H45 126.6 . . ?
N1 C45 H45 126.6 . . ?
C45 C46 N2 108.0(7) . . ?
C45 C46 H46 126.0 . . ?
N2 C46 H46 126.0 . . ?
N2 C3AA H3AA 109.5 . . ?
N2 C3AA H3AB 109.5 . . ?
H3AA C3AA H3AB 109.5 . . ?
N2 C3AA H3AC 109.5 . . ?
H3AA C3AA H3AC 109.5 . . ?
H3AB C3AA H3AC 109.5 . . ?
O1 C48 Ru1 178.3(8) . . ?
O7 C92 C90 106.4 . . ?
O7 C92 H92A 110.5 . . ?
C90 C92 H92A 110.5 . . ?
O7 C92 H92B 110.5 . . ?
C90 C92 H92B 110.5 . . ?
H92A C92 H92B 108.6 . . ?
C92 C90 C91 101.5 . . ?
C92 C90 H90A 111.5 . . ?
C91 C90 H90A 111.5 . . ?
C92 C90 H90B 111.5 . . ?
C91 C90 H90B 111.5 . . ?
H90A C90 H90B 109.3 . . ?
C92 O7 C93 109.5 . . ?
C93 C91 C90 101.5 . . ?
C93 C91 H91A 111.5 . . ?
C90 C91 H91A 111.5 . . ?
C93 C91 H91B 111.5 . . ?
C90 C91 H91B 111.5 . . ?
H91A C91 H91B 109.3 . . ?
O7 C93 C91 106.4 . . ?
O7 C93 H93A 110.4 . . ?
C91 C93 H93A 110.4 . . ?
O7 C93 H93B 110.4 . . ?
C91 C93 H93B 110.4 . . ?
H93A C93 H93B 108.6 . . ?
O7A C92A C90A 106.4 . . ?
O7A C92A H92C 110.5 . . ?
C90A C92A H92C 110.5 . . ?
O7A C92A H92D 110.5 . . ?
C90A C92A H92D 110.5 . . ?
H92C C92A H92D 108.6 . . ?
C92A C90A C91A 101.5 . . ?
C92A C90A H90C 111.5 . . ?
C91A C90A H90C 111.5 . . ?
C92A C90A H90D 111.5 . . ?
C91A C90A H90D 111.5 . . ?
H90C C90A H90D 109.3 . . ?
C93A O7A C92A 109.5 . . ?
C93A C91A C90A 101.5 . . ?
C93A C91A H91C 111.5 . . ?
C90A C91A H91C 111.5 . . ?
C93A C91A H91D 111.5 . . ?
C90A C91A H91D 111.5 . . ?
H91C C91A H91D 109.3 . . ?
O7A C93A C91A 106.4 . . ?
O7A C93A H93C 110.4 . . ?
C91A C93A H93C 110.4 . . ?
O7A C93A H93D 110.4 . . ?
C91A C93A H93D 110.4 . . ?
H93C C93A H93D 108.6 . . ?

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
C48 Ru1 P2 C31 170.9(3) . . . . ?
C47 Ru1 P2 C31 -22.7(3) . . . . ?
P1 Ru1 P2 C31 76.1(3) . . . . ?
P3 Ru1 P2 C31 -90.9(3) . . . . ?
C48 Ru1 P2 C19 -66.8(3) . . . . ?
C47 Ru1 P2 C19 99.5(3) . . . . ?
P1 Ru1 P2 C19 -161.7(3) . . . . ?
P3 Ru1 P2 C19 31.3(3) . . . . ?
C48 Ru1 P2 C25 51.6(3) . . . . ?
C47 Ru1 P2 C25 -142.0(3) . . . . ?
P1 Ru1 P2 C25 -43.2(3) . . . . ?
P3 Ru1 P2 C25 149.8(2) . . . . ?
C48 Ru1 P1 C13 -131.7(3) . . . . ?
C47 Ru1 P1 C13 65.1(3) . . . . ?
P2 Ru1 P1 C13 -39.0(3) . . . . ?
P3 Ru1 P1 C13 127.7(2) . . . . ?
C48 Ru1 P1 C7 109.1(4) . . . . ?
C47 Ru1 P1 C7 -54.0(4) . . . . ?
P2 Ru1 P1 C7 -158.1(3) . . . . ?
P3 Ru1 P1 C7 8.6(3) . . . . ?
C48 Ru1 P1 C1 -12.2(4) . . . . ?
C47 Ru1 P1 C1 -175.3(3) . . . . ?
P2 Ru1 P1 C1 80.6(3) . . . . ?
P3 Ru1 P1 C1 -112.7(3) . . . . ?
C48 Ru1 P3 N1 -173.3(3) . . . . ?
C47 Ru1 P3 N1 2.8(3) . . . . ?
P1 Ru1 P3 N1 -74.2(2) . . . . ?
P2 Ru1 P3 N1 92.0(2) . . . . ?
C48 Ru1 P3 C37 -69.3(4) . . . . ?
C47 Ru1 P3 C37 106.9(4) . . . . ?
P1 Ru1 P3 C37 29.8(4) . . . . ?
P2 Ru1 P3 C37 -164.0(3) . . . . ?
C48 Ru1 P3 C41 84.2(3) . . . . ?
C47 Ru1 P3 C41 -99.7(4) . . . . ?
P1 Ru1 P3 C41 -176.8(3) . . . . ?
P2 Ru1 P3 C41 -10.6(3) . . . . ?
C37 P3 N1 C47 -127.7(5) . . . . ?
C41 P3 N1 C47 119.7(5) . . . . ?
Ru1 P3 N1 C47 -4.1(4) . . . . ?
C37 P3 N1 C45 67.8(10) . . . . ?
C41 P3 N1 C45 -44.8(10) . . . . ?
Ru1 P3 N1 C45 -168.6(10) . . . . ?
C31 P2 C19 C20 -4.1(7) . . . . ?
C25 P2 C19 C20 96.9(7) . . . . ?
Ru1 P2 C19 C20 -134.7(6) . . . . ?
C31 P2 C19 C24 176.0(6) . . . . ?
C25 P2 C19 C24 -83.1(6) . . . . ?
Ru1 P2 C19 C24 45.3(6) . . . . ?
C24 C19 C20 C21 0.3(11) . . . . ?
P2 C19 C20 C21 -179.7(6) . . . . ?
C19 C20 C21 C22 -1.2(12) . . . . ?
C20 C21 C22 C23 0.3(12) . . . . ?
C21 C22 C23 C24 1.5(12) . . . . ?
C22 C23 C24 C19 -2.5(12) . . . . ?
C20 C19 C24 C23 1.5(11) . . . . ?
P2 C19 C24 C23 -178.5(6) . . . . ?
C19 P2 C31 C36 112.3(6) . . . . ?
C25 P2 C31 C36 13.4(7) . . . . ?
Ru1 P2 C31 C36 -115.1(6) . . . . ?
C19 P2 C31 C32 -71.8(6) . . . . ?
C25 P2 C31 C32 -170.7(6) . . . . ?
Ru1 P2 C31 C32 60.8(6) . . . . ?
C34 C35 C36 C31 -1.5(11) . . . . ?
C32 C31 C36 C35 1.2(11) . . . . ?
P2 C31 C36 C35 177.1(6) . . . . ?
C36 C35 C34 C33 0.7(12) . . . . ?
C35 C34 C33 C32 0.5(11) . . . . ?
C34 C33 C32 C31 -0.8(11) . . . . ?
C36 C31 C32 C33 0.0(11) . . . . ?
P2 C31 C32 C33 -176.2(6) . . . . ?
C31 P2 C25 C30 69.7(7) . . . . ?
C19 P2 C25 C30 -31.3(7) . . . . ?
Ru1 P2 C25 C30 -161.8(5) . . . . ?
C31 P2 C25 C26 -106.0(6) . . . . ?
C19 P2 C25 C26 153.0(6) . . . . ?
Ru1 P2 C25 C26 22.5(7) . . . . ?
C30 C25 C26 C27 -3.4(11) . . . . ?
P2 C25 C26 C27 172.5(6) . . . . ?
C25 C26 C27 C28 -0.7(12) . . . . ?
C26 C27 C28 C29 3.4(13) . . . . ?
C27 C28 C29 C30 -1.9(13) . . . . ?
C26 C25 C30 C29 4.8(11) . . . . ?
P2 C25 C30 C29 -171.0(6) . . . . ?
C28 C29 C30 C25 -2.3(12) . . . . ?
C13 P1 C7 C8 121.0(7) . . . . ?
C1 P1 C7 C8 19.8(8) . . . . ?
Ru1 P1 C7 C8 -108.5(7) . . . . ?
C13 P1 C7 C12 -64.3(6) . . . . ?
C1 P1 C7 C12 -165.4(6) . . . . ?
Ru1 P1 C7 C12 66.2(6) . . . . ?
C12 C7 C8 C9 -0.4(12) . . . . ?
P1 C7 C8 C9 174.3(6) . . . . ?
C7 C8 C9 C10 0.1(13) . . . . ?
C8 C9 C10 C11 0.3(14) . . . . ?
C9 C10 C11 C12 -0.5(15) . . . . ?
C10 C11 C12 C7 0.2(14) . . . . ?
C8 C7 C12 C11 0.2(12) . . . . ?
P1 C7 C12 C11 -175.0(7) . . . . ?
C7 P1 C13 C18 149.0(6) . . . . ?
C1 P1 C13 C18 -109.0(6) . . . . ?
Ru1 P1 C13 C18 18.3(6) . . . . ?
C7 P1 C13 C14 -33.2(6) . . . . ?
C1 P1 C13 C14 68.7(6) . . . . ?
Ru1 P1 C13 C14 -164.0(5) . . . . ?
C18 C13 C14 C15 -1.9(10) . . . . ?
P1 C13 C14 C15 -179.6(5) . . . . ?
C13 C14 C15 C16 0.1(11) . . . . ?
C14 C15 C16 C17 1.2(11) . . . . ?
C15 C16 C17 C18 -0.7(11) . . . . ?
C16 C17 C18 C13 -1.1(12) . . . . ?
C14 C13 C18 C17 2.4(10) . . . . ?
P1 C13 C18 C17 -179.8(5) . . . . ?
C13 P1 C1 C6 -171.6(6) . . . . ?
C7 P1 C1 C6 -73.3(7) . . . . ?
Ru1 P1 C1 C6 58.2(7) . . . . ?
C13 P1 C1 C2 10.8(7) . . . . ?
C7 P1 C1 C2 109.1(7) . . . . ?
Ru1 P1 C1 C2 -119.4(6) . . . . ?
C2 C1 C6 C5 -1.9(12) . . . . ?
P1 C1 C6 C5 -179.6(6) . . . . ?
C1 C6 C5 C4 0.4(13) . . . . ?
C6 C5 C4 C3 1.6(13) . . . . ?
C5 C4 C3 C2 -2.1(13) . . . . ?
C4 C3 C2 C1 0.6(12) . . . . ?
C6 C1 C2 C3 1.4(12) . . . . ?
P1 C1 C2 C3 179.1(6) . . . . ?
N1 P3 C41 C43 -165.3(5) . . . . ?
C37 P3 C41 C43 85.1(6) . . . . ?
Ru1 P3 C41 C43 -71.8(6) . . . . ?
N1 P3 C41 C42 70.2(6) . . . . ?
C37 P3 C41 C42 -39.4(6) . . . . ?
Ru1 P3 C41 C42 163.6(4) . . . . ?
N1 P3 C41 C44 -49.3(5) . . . . ?
C37 P3 C41 C44 -158.9(5) . . . . ?
Ru1 P3 C41 C44 44.2(6) . . . . ?
N1 P3 C37 C38 -165.0(6) . . . . ?
C41 P3 C37 C38 -56.3(7) . . . . ?
Ru1 P3 C37 C38 100.7(6) . . . . ?
N1 P3 C37 C40 77.6(7) . . . . ?
C41 P3 C37 C40 -173.7(6) . . . . ?
Ru1 P3 C37 C40 -16.7(8) . . . . ?
N1 P3 C37 C39 -41.4(7) . . . . ?
C41 P3 C37 C39 67.3(7) . . . . ?
Ru1 P3 C37 C39 -135.7(6) . . . . ?
C46 N2 C47 N1 1.7(8) . . . . ?
C3AA N2 C47 N1 -175.5(7) . . . . ?
C46 N2 C47 Ru1 -174.6(9) . . . . ?
C3AA N2 C47 Ru1 8.2(15) . . . . ?
C45 N1 C47 N2 -3.0(8) . . . . ?
P3 N1 C47 N2 -173.4(5) . . . . ?
C45 N1 C47 Ru1 175.1(5) . . . . ?
P3 N1 C47 Ru1 4.7(5) . . . . ?
C48 Ru1 C47 N2 -174.9(9) . . . . ?
P1 Ru1 C47 N2 -63.0(11) . . . . ?
P2 Ru1 C47 N2 54.4(11) . . . . ?
P3 Ru1 C47 N2 172.6(12) . . . . ?
C48 Ru1 C47 N1 8.8(12) . . . . ?
P1 Ru1 C47 N1 120.7(5) . . . . ?
P2 Ru1 C47 N1 -121.9(5) . . . . ?
P3 Ru1 C47 N1 -3.7(4) . . . . ?
C47 N1 C45 C46 3.3(9) . . . . ?
P3 N1 C45 C46 167.0(8) . . . . ?
N1 C45 C46 N2 -2.1(9) . . . . ?
C47 N2 C46 C45 0.2(9) . . . . ?
C3AA N2 C46 C45 177.6(7) . . . . ?
C47 Ru1 C48 O1 -40(26) . . . . ?
P1 Ru1 C48 O1 -152(26) . . . . ?
P2 Ru1 C48 O1 92(26) . . . . ?
P3 Ru1 C48 O1 -29(26) . . . . ?
O7 C92 C90 C91 31.5 . . . . ?
C90 C92 O7 C93 -12.4 . . . . ?
C92 C90 C91 C93 -37.4 . . . . ?
C92 O7 C93 C91 -12.3 . . . . ?
C90 C91 C93 O7 31.5 . . . . ?
O7A C92A C90A C91A 31.5 . . . . ?
C90A C92A O7A C93A -12.4 . . . . ?
C92A C90A C91A C93A -37.4 . . . . ?
C92A O7A C93A C91A -12.3 . . . . ?
C90A C91A C93A O7A 31.5 . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.51
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.745
_refine_diff_density_min         -0.510
_refine_diff_density_rms         0.109

# SQUEEZE RESULTS
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 0.059 282 74 ' '
2 0.000 0.458 0.775 13 1 ' '
3 0.125 0.333 0.108 14 1 ' '
4 0.208 0.875 0.108 14 1 ' '
5 0.333 0.667 1.083 285 75 ' '
6 0.333 0.125 0.441 14 1 ' '
7 0.458 1.000 0.775 13 1 ' '
8 0.542 0.542 0.775 13 1 ' '
9 0.667 0.333 0.750 284 75 ' '
10 0.667 0.791 0.108 14 1 ' '
11 0.791 0.666 0.441 14 1 ' '
12 0.875 0.209 0.441 14 1 ' '
_platon_squeeze_void_probe_radius 1.20

_platon_squeeze_details          
;During the refinement of the structure, electron density 
peaks were located that were believed to be highly disordered 
tetrahydrofuran molecules. Attempts 
made to model the solvent molecule were not successful. 
The SQUEEZE option in PLATON (Spek, 2003) indicated there were three 
large solvent cavities of 217 A3 in the unit cell. 
In the final cycles of refinement, 
this contribution (75 electrons per void) to the electron density was 
removed from the observed  data. The density, the F(000) value, 
the molecular weight and the formula are given taking into 
account the results obtained with the SQUEEZE option PLATON 
(Spek, 2009).
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lp003_0m
_database_code_depnum_ccdc_archive 'CCDC 1413639'
_audit_update_record             
;
2015-07-19 deposited with the CCDC.
2016-01-05 downloaded from the CCDC.
;
_audit_creation_date             2015-07-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_formula_moiety         
'2(C25 H46 N4 O P2 Ru), C H2 Cl2, C6 H6, 2(Cl), 0.5(C5 H12)'
_chemical_formula_sum            'C59.5 H106 Cl4 N8 O2 P4 Ru2'
_chemical_formula_weight         1433.39
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
Ru -1.23940 0.83517 19.26740 12.91820 4.86337 1.56756 0.80852 8.43467 24.79970
94.29280 5.37873983383
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Cl 0.14873 0.16029 11.46040 7.19640 6.25560 1.64550 0.01040 1.16620 18.51940
47.77840 -9.55739974976
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
P 0.10434 0.09671 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11489999294
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2ybc (x-z,y,z)'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x+1/2,y+1/2,-z+1/2
3 -x,-y,-z
4 x-1/2,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_measurement_temperature    149
_cell_length_a                   11.5609(8)
_cell_length_b                   28.1621(19)
_cell_length_c                   23.5527(15)
_cell_angle_alpha                90
_cell_angle_beta                 90.842(3)
_cell_angle_gamma                90
_cell_volume                     7667.4(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9916
_cell_measurement_theta_max      27.29
_cell_measurement_theta_min      2.45
_exptl_absorpt_coefficient_mu    0.658
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0575 before and 0.0507 after correction.
The Ratio of minimum to maximum transmission is 0.9095.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.2416
_exptl_crystal_density_meas      .
_exptl_crystal_description       needle
_exptl_crystal_F_000             2998.8531
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_diffrn_reflns_av_R_equivalents  0.0993
_diffrn_reflns_av_unetI/netI     0.1162
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            59701
_diffrn_reflns_theta_full        27.4883
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.45
_diffrn_ambient_temperature      149.31
_diffrn_measured_fraction_theta_full 0.9981
_diffrn_measured_fraction_theta_max 0.9981
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              13
_reflns_limit_h_min              -15
_reflns_limit_k_max              36
_reflns_limit_k_min              0
_reflns_limit_l_max              30
_reflns_limit_l_min              -12
_reflns_number_gt                10694
_reflns_number_total             17544
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.8811
_refine_diff_density_min         -1.6891
_refine_diff_density_rms         0.2789
_refine_ls_d_res_high            0.7699
_refine_ls_d_res_low             14.0810
_refine_ls_goodness_of_fit_ref   1.0441
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    160
_refine_ls_number_parameters     713
_refine_ls_number_reflns         17544
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1240
_refine_ls_R_factor_gt           0.0620
_refine_ls_restrained_S_all      1.0441
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0786P)²+12.8195P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1521
_refine_ls_wR_factor_ref         0.1804
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: C55(0.5) H55a(0.5) H55b(0.5) H55c(0.5) C54(0.5) H54a(0.5)
 H54b(0.5) C53(0.5) H53a(0.5) H53b(0.5) C52(0.5) H52a(0.5) H52b(0.5) C51(0.5)
 H51a(0.5) H51b(0.5) H51c(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C62(H62a,H62b), C54(H54a,H54b), C53(H53a,H53b), C52(H52a,H52b)
3.b Me refined with riding coordinates:
 C1(H1a,H1b,H1c), C9(H9a,H9b,H9c), C11(H11a,H11b,H11c), C5(H5a,H5b,H5c),
 C30(H30a,H30b,H30c), C35(H35a,H35b,H35c), C36(H36a,H36b,H36c), C14(H14a,H14b,
 H14c), C38(H38a,H38b,H38c), C42(H42a,H42b,H42c), C46(H46a,H46b,H46c), C6(H6a,
 H6b,H6c), C48(H48a,H48b,H48c), C34(H34a,H34b,H34c), C15(H15a,H15b,H15c),
 C32(H32a,H32b,H32c), C7(H7a,H7b,H7c), C21(H21a,H21b,H21c), C13(H13a,H13b,H13c),
  C18(H18a,H18b,H18c), C26(H26a,H26b,H26c), C31(H31a,H31b,H31c), C17(H17a,H17b,
 H17c), C43(H43a,H43b,H43c), C47(H47a,H47b,H47c), C19(H19a,H19b,H19c), C44(H44a,
 H44b,H44c), C10(H10a,H10b,H10c), C55(H55a,H55b,H55c), C51(H51a,H51b,H51c)
3.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C28(H28), C23(H23), C39(H39), C22(H22), C2(H2), C27(H27), C40(H40),
 C60(H60), C56(H56), C59(H59), C57(H57), C61(H61), C58(H58)
;
_atom_sites_solution_primary     iterative
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_refinement_flags_posn
Ru2 Ru 0.51338(4) 0.793109(16) 0.976657(18) 0.01610(11) Uani 1.000000 .
P3 P 0.62782(12) 0.80639(5) 0.89593(6) 0.0164(3) Uani 1.000000 .
P4 P 0.33495(13) 0.73904(5) 0.96533(6) 0.0185(3) Uani 1.000000 .
P2 P 0.59320(12) 0.58772(5) 0.69420(6) 0.0174(3) Uani 1.000000 .
P1 P 0.28878(12) 0.52024(5) 0.63978(6) 0.0172(3) Uani 1.000000 .
N6 N 0.3543(4) 0.73661(17) 1.03869(19) 0.0208(10) Uani 1.000000 .
O2 O 0.4023(4) 0.88996(15) 0.98062(19) 0.0335(11) Uani 1.000000 .
N3 N 0.2284(4) 0.62393(17) 0.72593(18) 0.0206(10) Uani 1.000000 .
N7 N 0.7118(4) 0.70755(17) 0.9859(2) 0.0232(11) Uani 1.000000 .
N8 N 0.6913(4) 0.75182(17) 0.91240(19) 0.0204(10) Uani 1.000000 .
N2 N 0.5767(4) 0.64843(16) 0.68191(18) 0.0175(10) Uani 1.000000 .
N4 N 0.2332(4) 0.55118(17) 0.69785(18) 0.0197(10) Uani 1.000000 .
O1 O 0.5142(4) 0.56165(18) 0.51632(18) 0.0439(13) Uani 1.000000 .
N1 N 0.4798(4) 0.69756(16) 0.63002(18) 0.0198(10) Uani 1.000000 .
C24 C 0.2882(5) 0.5940(2) 0.6937(2) 0.0192(12) Uani 1.000000 .
C41 C 0.6445(5) 0.74208(19) 0.9643(2) 0.0169(11) Uani 1.000000 .
N5 N 0.4537(4) 0.76883(18) 1.10669(18) 0.0219(11) Uani 1.000000 .
C1 C 0.3928(6) 0.7182(2) 0.5916(3) 0.0311(15) Uani 1.000000 .
H1a H 0.4062(6) 0.7525(2) 0.5883(3) 0.047(2) Uiso 1.000000 R
H1b H 0.3985(6) 0.7035(2) 0.5541(3) 0.047(2) Uiso 1.000000 R
H1c H 0.3155(6) 0.7127(2) 0.6068(3) 0.047(2) Uiso 1.000000 R
C29 C 0.4445(5) 0.7661(2) 1.0501(2) 0.0178(12) Uani 1.000000 .
C4 C 0.4865(5) 0.6512(2) 0.6440(2) 0.0184(12) Uani 1.000000 .
C3 C 0.6282(5) 0.6930(2) 0.6902(2) 0.0272(14) Uani 1.000000 .
H3 H 0.6928(5) 0.7003(2) 0.7140(2) 0.0327(17) Uiso 1.000000 R
C50 C 0.4370(5) 0.8516(2) 0.9790(2) 0.0215(12) Uani 1.000000 .
C9 C 0.6734(6) 0.6223(2) 0.8036(3) 0.0320(15) Uani 1.000000 .
H9a H 0.7538(6) 0.6206(2) 0.7912(3) 0.048(2) Uiso 1.000000 R
H9b H 0.6409(6) 0.6533(2) 0.7936(3) 0.048(2) Uiso 1.000000 R
H9c H 0.6708(6) 0.6179(2) 0.8449(3) 0.048(2) Uiso 1.000000 R
C25 C 0.4845(5) 0.5710(2) 0.5612(3) 0.0264(13) Uani 1.000000 .
C28 C 0.3049(5) 0.7210(2) 1.0897(2) 0.0250(13) Uani 1.000000 .
H28 H 0.2398(5) 0.7007(2) 1.0937(2) 0.0300(16) Uiso 1.000000 R
C11 C 0.6490(6) 0.5337(2) 0.7913(3) 0.0330(15) Uani 1.000000 .
H11a H 0.7286(6) 0.5304(2) 0.7782(3) 0.050(2) Uiso 1.000000 R
H11b H 0.6477(6) 0.5306(2) 0.8327(3) 0.050(2) Uiso 1.000000 R
H11c H 0.6005(6) 0.5090(2) 0.7740(3) 0.050(2) Uiso 1.000000 R
C5 C 0.7487(5) 0.6031(2) 0.6067(3) 0.0326(15) Uani 1.000000 .
H5a H 0.7482(5) 0.6371(2) 0.6152(3) 0.049(2) Uiso 1.000000 R
H5b H 0.8213(5) 0.5947(2) 0.5882(3) 0.049(2) Uiso 1.000000 R
H5c H 0.6834(5) 0.5954(2) 0.5814(3) 0.049(2) Uiso 1.000000 R
C23 C 0.1369(5) 0.5559(2) 0.7328(2) 0.0290(14) Uani 1.000000 .
H23 H 0.0827(5) 0.5318(2) 0.7418(2) 0.0347(17) Uiso 1.000000 R
C33 C 0.3298(5) 0.6743(2) 0.9443(2) 0.0238(13) Uani 1.000000 .
C20 C 0.3269(5) 0.4602(2) 0.6686(2) 0.0240(13) Uani 1.000000 .
C30 C 0.4558(5) 0.6574(2) 0.9460(3) 0.0322(15) Uani 1.000000 .
H30a H 0.5018(5) 0.6771(2) 0.9205(3) 0.048(2) Uiso 1.000000 R
H30b H 0.4867(5) 0.6602(2) 0.9848(3) 0.048(2) Uiso 1.000000 R
H30c H 0.4593(5) 0.6242(2) 0.9339(3) 0.048(2) Uiso 1.000000 R
C12 C 0.6022(5) 0.5828(2) 0.7741(2) 0.0236(13) Uani 1.000000 .
C37 C 0.1868(5) 0.7663(2) 0.9549(2) 0.0243(13) Uani 1.000000 .
C35 C 0.1850(6) 0.7868(3) 0.8946(3) 0.0373(17) Uani 1.000000 .
H35a H 0.1933(6) 0.7609(3) 0.8670(3) 0.056(2) Uiso 1.000000 R
H35b H 0.1115(6) 0.8032(3) 0.8876(3) 0.056(2) Uiso 1.000000 R
H35c H 0.2491(6) 0.8093(3) 0.8905(3) 0.056(2) Uiso 1.000000 R
C39 C 0.7977(5) 0.6951(2) 0.9479(3) 0.0291(14) Uani 1.000000 .
H39 H 0.8546(5) 0.6712(2) 0.9538(3) 0.0349(17) Uiso 1.000000 R
C36 C 0.1739(5) 0.8064(2) 0.9982(3) 0.0327(15) Uani 1.000000 .
H36a H 0.1751(5) 0.7931(2) 1.0367(3) 0.049(2) Uiso 1.000000 R
H36b H 0.2379(5) 0.8289(2) 0.9943(3) 0.049(2) Uiso 1.000000 R
H36c H 0.1003(5) 0.8229(2) 0.9914(3) 0.049(2) Uiso 1.000000 R
C14 C 0.2112(6) 0.5032(2) 0.5299(2) 0.0309(15) Uani 1.000000 .
H14a H 0.2705(6) 0.5264(2) 0.5197(2) 0.046(2) Uiso 1.000000 R
H14b H 0.2455(6) 0.4714(2) 0.5315(2) 0.046(2) Uiso 1.000000 R
H14c H 0.1486(6) 0.5037(2) 0.5014(2) 0.046(2) Uiso 1.000000 R
C38 C 0.6977(6) 0.6851(2) 1.0418(3) 0.0315(15) Uani 1.000000 .
H38a H 0.7578(6) 0.6609(2) 1.0475(3) 0.047(2) Uiso 1.000000 R
H38b H 0.7048(6) 0.7093(2) 1.0716(3) 0.047(2) Uiso 1.000000 R
H38c H 0.6213(6) 0.6701(2) 1.0436(3) 0.047(2) Uiso 1.000000 R
C42 C 0.8152(6) 0.8419(3) 0.9572(3) 0.0352(16) Uani 1.000000 .
H42a H 0.8493(6) 0.8101(3) 0.9574(3) 0.053(2) Uiso 1.000000 R
H42b H 0.8767(6) 0.8657(3) 0.9616(3) 0.053(2) Uiso 1.000000 R
H42c H 0.7611(6) 0.8448(3) 0.9887(3) 0.053(2) Uiso 1.000000 R
C46 C 0.6593(8) 0.8000(4) 0.7744(3) 0.072(3) Uani 1.000000 .
H46a H 0.7082(8) 0.8284(4) 0.7757(3) 0.108(5) Uiso 1.000000 R
H46b H 0.7076(8) 0.7717(4) 0.7795(3) 0.108(5) Uiso 1.000000 R
H46c H 0.6189(8) 0.7984(4) 0.7376(3) 0.108(5) Uiso 1.000000 R
C6 C 0.8443(5) 0.5871(2) 0.6996(3) 0.0327(15) Uani 1.000000 .
H6a H 0.8433(5) 0.6211(2) 0.7086(3) 0.049(2) Uiso 1.000000 R
H6b H 0.8422(5) 0.5687(2) 0.7349(3) 0.049(2) Uiso 1.000000 R
H6c H 0.9150(5) 0.5795(2) 0.6791(3) 0.049(2) Uiso 1.000000 R
C22 C 0.1361(6) 0.6005(2) 0.7507(2) 0.0319(15) Uani 1.000000 .
H22 H 0.0821(6) 0.6141(2) 0.7760(2) 0.0382(18) Uiso 1.000000 R
C2 C 0.5667(5) 0.7236(2) 0.6572(2) 0.0271(14) Uani 1.000000 .
H2 H 0.5803(5) 0.7567(2) 0.6533(2) 0.0325(16) Uiso 1.000000 R
C48 C 0.4964(6) 0.7580(2) 0.8186(3) 0.0306(15) Uani 1.000000 .
H48a H 0.4388(6) 0.7588(2) 0.8487(3) 0.046(2) Uiso 1.000000 R
H48b H 0.4569(6) 0.7566(2) 0.7815(3) 0.046(2) Uiso 1.000000 R
H48c H 0.5456(6) 0.7299(2) 0.8234(3) 0.046(2) Uiso 1.000000 R
C34 C 0.0833(5) 0.7329(2) 0.9622(3) 0.0350(16) Uani 1.000000 .
H34a H 0.0887(5) 0.7066(2) 0.9350(3) 0.053(2) Uiso 1.000000 R
H34b H 0.0838(5) 0.7202(2) 1.0009(3) 0.053(2) Uiso 1.000000 R
H34c H 0.0113(5) 0.7504(2) 0.9552(3) 0.053(2) Uiso 1.000000 R
C15 C 0.1032(5) 0.5654(2) 0.5839(3) 0.0284(14) Uani 1.000000 .
H15a H 0.1605(5) 0.5892(2) 0.5729(3) 0.043(2) Uiso 1.000000 R
H15b H 0.0411(5) 0.5642(2) 0.5551(3) 0.043(2) Uiso 1.000000 R
H15c H 0.0708(5) 0.5739(2) 0.6207(3) 0.043(2) Uiso 1.000000 R
C32 C 0.2603(6) 0.6432(2) 0.9844(3) 0.0370(16) Uani 1.000000 .
H32a H 0.2907(6) 0.6468(2) 1.0233(3) 0.056(2) Uiso 1.000000 R
H32b H 0.1789(6) 0.6528(2) 0.9830(3) 0.056(2) Uiso 1.000000 R
H32c H 0.2668(6) 0.6099(2) 0.9728(3) 0.056(2) Uiso 1.000000 R
C7 C 0.7390(6) 0.5216(2) 0.6482(3) 0.0355(16) Uani 1.000000 .
H7a H 0.6712(6) 0.5139(2) 0.6245(3) 0.053(2) Uiso 1.000000 R
H7b H 0.8096(6) 0.5139(2) 0.6276(3) 0.053(2) Uiso 1.000000 R
H7c H 0.7368(6) 0.5031(2) 0.6835(3) 0.053(2) Uiso 1.000000 R
C49 C 0.5706(5) 0.8024(2) 0.8219(2) 0.0235(13) Uani 1.000000 .
C21 C 0.2538(5) 0.6745(2) 0.7336(2) 0.0273(14) Uani 1.000000 .
H21a H 0.1973(5) 0.6885(2) 0.7593(2) 0.041(2) Uiso 1.000000 R
H21b H 0.3318(5) 0.6782(2) 0.7500(2) 0.041(2) Uiso 1.000000 R
H21c H 0.2494(5) 0.6906(2) 0.6968(2) 0.041(2) Uiso 1.000000 R
C13 C 0.0698(5) 0.4803(2) 0.6055(3) 0.0274(14) Uani 1.000000 .
H13a H 0.0397(5) 0.4889(2) 0.6428(3) 0.041(2) Uiso 1.000000 R
H13b H 0.0066(5) 0.4807(2) 0.5773(3) 0.041(2) Uiso 1.000000 R
H13c H 0.1035(5) 0.4484(2) 0.6073(3) 0.041(2) Uiso 1.000000 R
C45 C 0.7510(5) 0.8501(2) 0.9014(2) 0.0269(14) Uani 1.000000 .
C18 C 0.2371(6) 0.4394(2) 0.7091(3) 0.0358(16) Uani 1.000000 .
H18a H 0.2236(6) 0.4618(2) 0.7401(3) 0.054(2) Uiso 1.000000 R
H18b H 0.1644(6) 0.4337(2) 0.6883(3) 0.054(2) Uiso 1.000000 R
H18c H 0.2660(6) 0.4093(2) 0.7248(3) 0.054(2) Uiso 1.000000 R
C27 C 0.3684(5) 0.7405(2) 1.1311(2) 0.0276(14) Uani 1.000000 .
H27 H 0.3577(5) 0.7360(2) 1.1706(2) 0.0331(17) Uiso 1.000000 R
C26 C 0.5430(6) 0.7946(3) 1.1377(3) 0.0382(17) Uani 1.000000 .
H26a H 0.5308(6) 0.7912(3) 1.1786(3) 0.057(3) Uiso 1.000000 R
H26b H 0.6191(6) 0.7818(3) 1.1281(3) 0.057(3) Uiso 1.000000 R
H26c H 0.5396(6) 0.8283(3) 1.1274(3) 0.057(3) Uiso 1.000000 R
C8 C 0.7380(5) 0.5747(2) 0.6624(3) 0.0256(13) Uani 1.000000 .
C31 C 0.2848(6) 0.6696(2) 0.8831(3) 0.0339(16) Uani 1.000000 .
H31a H 0.3306(6) 0.6899(2) 0.8582(3) 0.051(2) Uiso 1.000000 R
H31b H 0.2914(6) 0.6364(2) 0.8709(3) 0.051(2) Uiso 1.000000 R
H31c H 0.2035(6) 0.6794(2) 0.8811(3) 0.051(2) Uiso 1.000000 R
C16 C 0.1624(5) 0.5159(2) 0.5884(2) 0.0236(13) Uani 1.000000 .
C17 C 0.3496(6) 0.4257(2) 0.6196(3) 0.0373(16) Uani 1.000000 .
H17a H 0.4070(6) 0.4395(2) 0.5942(3) 0.056(2) Uiso 1.000000 R
H17b H 0.3791(6) 0.3956(2) 0.6349(3) 0.056(2) Uiso 1.000000 R
H17c H 0.2774(6) 0.4200(2) 0.5984(3) 0.056(2) Uiso 1.000000 R
C43 C 0.8414(7) 0.8462(4) 0.8549(3) 0.089(4) Uani 1.000000 .
H43a H 0.8745(7) 0.8142(4) 0.8551(3) 0.133(6) Uiso 1.000000 R
H43b H 0.8047(7) 0.8525(4) 0.8179(3) 0.133(6) Uiso 1.000000 R
H43c H 0.9029(7) 0.8695(4) 0.8619(3) 0.133(6) Uiso 1.000000 R
C47 C 0.4916(9) 0.8458(3) 0.8135(4) 0.075(3) Uani 1.000000 .
H47a H 0.5381(9) 0.8749(3) 0.8155(4) 0.112(5) Uiso 1.000000 R
H47b H 0.4528(9) 0.8439(3) 0.7764(4) 0.112(5) Uiso 1.000000 R
H47c H 0.4335(9) 0.8464(3) 0.8434(4) 0.112(5) Uiso 1.000000 R
C19 C 0.4407(6) 0.4670(2) 0.7022(3) 0.0372(17) Uani 1.000000 .
H19a H 0.4281(6) 0.4889(2) 0.7338(3) 0.056(2) Uiso 1.000000 R
H19b H 0.4669(6) 0.4362(2) 0.7171(3) 0.056(2) Uiso 1.000000 R
H19c H 0.4996(6) 0.4800(2) 0.6771(3) 0.056(2) Uiso 1.000000 R
C40 C 0.7865(5) 0.7228(2) 0.9015(3) 0.0279(14) Uani 1.000000 .
H40 H 0.8331(5) 0.7226(2) 0.8686(3) 0.0335(17) Uiso 1.000000 R
C44 C 0.6988(8) 0.8995(3) 0.9017(5) 0.081(3) Uani 1.000000 .
H44a H 0.6572(8) 0.9051(3) 0.8657(5) 0.121(5) Uiso 1.000000 R
H44b H 0.6450(8) 0.9023(3) 0.9332(5) 0.121(5) Uiso 1.000000 R
H44c H 0.7606(8) 0.9231(3) 0.9062(5) 0.121(5) Uiso 1.000000 R
Ru1 Ru 0.41395(4) 0.585929(16) 0.630927(18) 0.01569(11) Uani 1.000000 .
C10 C 0.4777(5) 0.5872(2) 0.7952(2) 0.0301(15) Uani 1.000000 .
H10a H 0.4464(5) 0.6184(2) 0.7845(2) 0.045(2) Uiso 1.000000 R
H10b H 0.4299(5) 0.5622(2) 0.7778(2) 0.045(2) Uiso 1.000000 R
H10c H 0.4771(5) 0.5838(2) 0.8366(2) 0.045(2) Uiso 1.000000 R
Cl4 Cl 0.9295(4) 0.45284(12) 0.7790(2) 0.1415(16) Uani 1.000000 .
Cl3 Cl 0.7337(4) 0.41312(17) 0.8331(3) 0.207(3) Uani 1.000000 .
C60 C 0.4098(9) 0.3112(3) 0.7614(4) 0.058(2) Uani 1.000000 .
H60 H 0.4482(9) 0.2911(3) 0.7353(4) 0.069(3) Uiso 1.000000 R
C56 C 0.2377(9) 0.3326(4) 0.8086(4) 0.066(3) Uani 1.000000 .
H56 H 0.1579(9) 0.3275(4) 0.8157(4) 0.080(3) Uiso 1.000000 R
C59 C 0.4701(8) 0.3467(4) 0.7892(4) 0.071(3) Uani 1.000000 .
H59 H 0.5500(8) 0.3510(4) 0.7820(4) 0.085(4) Uiso 1.000000 R
C57 C 0.2980(11) 0.3686(4) 0.8362(4) 0.078(3) Uani 1.000000 .
H57 H 0.2583(11) 0.3887(4) 0.8618(4) 0.093(4) Uiso 1.000000 R
C61 C 0.2946(10) 0.3050(3) 0.7716(4) 0.068(3) Uani 1.000000 .
H61 H 0.2536(10) 0.2805(3) 0.7520(4) 0.082(3) Uiso 1.000000 R
C58 C 0.4164(11) 0.3760(4) 0.8271(4) 0.078(3) Uani 1.000000 .
H58 H 0.4577(11) 0.4004(4) 0.8465(4) 0.093(4) Uiso 1.000000 R
C62 C 0.8736(11) 0.4320(4) 0.8427(6) 0.113(5) Uani 1.000000 .
H62a H 0.9218(11) 0.4054(4) 0.8571(6) 0.136(5) Uiso 1.000000 R
H62b H 0.8760(11) 0.4577(4) 0.8714(6) 0.136(5) Uiso 1.000000 R
Cl1 Cl 0.51057(16) 0.83493(6) 0.59424(8) 0.0429(4) Uani 1.000000 .
Cl2 Cl 0.43538(19) 0.79605(7) 1.27774(8) 0.0521(5) Uani 1.000000 .
C55 C -0.0317(14) 0.5860(6) 0.8943(6) 0.050(4) Uiso 0.500000 .
H55a H 0.0493(14) 0.5957(6) 0.8914(6) 0.074(6) Uiso 0.500000 R
H55b H -0.0472(14) 0.5595(6) 0.8685(6) 0.074(6) Uiso 0.500000 R
H55c H -0.0821(14) 0.6128(6) 0.8842(6) 0.074(6) Uiso 0.500000 R
C54 C -0.056(2) 0.5706(9) 0.9551(9) 0.093(7) Uiso 0.500000 .
H54a H -0.003(2) 0.5443(9) 0.9652(9) 0.111(8) Uiso 0.500000 R
H54b H -0.037(2) 0.5975(9) 0.9809(9) 0.111(8) Uiso 0.500000 R
C53 C -0.165(2) 0.5563(9) 0.9648(10) 0.098(7) Uiso 0.500000 .
H53a H -0.219(2) 0.5829(9) 0.9553(10) 0.117(9) Uiso 0.500000 R
H53b H -0.184(2) 0.5298(9) 0.9386(10) 0.117(9) Uiso 0.500000 R
C52 C -0.191(2) 0.5390(10) 1.0299(10) 0.110(8) Uiso 0.500000 .
H52a H -0.135(2) 0.5135(10) 1.0391(10) 0.132(10) Uiso 0.500000 R
H52b H -0.172(2) 0.5660(10) 1.0553(10) 0.132(10) Uiso 0.500000 R
C51 C -0.315(4) 0.5202(15) 1.0463(17) 0.217(17) Uiso 0.500000 .
H51a H -0.315(4) 0.5114(15) 1.0865(17) 0.32(3) Uiso 0.500000 R
H51b H -0.372(4) 0.5452(15) 1.0394(17) 0.32(3) Uiso 0.500000 R
H51c H -0.334(4) 0.4924(15) 1.0231(17) 0.32(3) Uiso 0.500000 R


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
Ru2 P3 2.3621(14) . ?
Ru2 P4 2.5746(15) . ?
Ru2 C41 2.112(5) . ?
Ru2 C29 2.061(5) . ?
Ru2 C50 1.870(6) . ?
P3 N8 1.745(5) . ?
P3 C49 1.860(5) . ?
P3 C45 1.885(6) . ?
P4 N6 1.740(5) . ?
P4 C33 1.889(6) . ?
P4 C37 1.889(6) . ?
P2 N2 1.744(5) . ?
P2 C12 1.889(6) . ?
P2 C8 1.881(6) . ?
P2 Ru1 2.5352(15) . ?
P1 N4 1.752(5) . ?
P1 C20 1.873(6) . ?
P1 C16 1.887(6) . ?
P1 Ru1 2.3597(15) . ?
N6 C29 1.357(7) . ?
N6 C28 1.409(7) . ?
O2 C50 1.153(7) . ?
N3 C24 1.334(7) . ?
N3 C22 1.390(8) . ?
N3 C21 1.465(7) . ?
N7 C41 1.341(7) . ?
N7 C39 1.391(7) . ?
N7 C38 1.473(7) . ?
N8 C41 1.372(6) . ?
N8 C40 1.398(7) . ?
N2 C4 1.365(7) . ?
N2 C3 1.402(7) . ?
N4 C24 1.368(7) . ?
N4 C23 1.400(7) . ?
O1 C25 1.148(7) . ?
N1 C1 1.463(7) . ?
N1 C4 1.347(7) . ?
N1 C2 1.392(7) . ?
C24 Ru1 2.100(5) . ?
N5 C29 1.338(7) . ?
N5 C27 1.398(7) . ?
N5 C26 1.452(8) . ?
C1 H1a 0.9800 . ?
C1 H1b 0.9800 . ?
C1 H1c 0.9800 . ?
C4 Ru1 2.043(6) . ?
C3 H3 0.9500 . ?
C3 C2 1.356(9) . ?
C9 H9a 0.9800 . ?
C9 H9b 0.9800 . ?
C9 H9c 0.9800 . ?
C9 C12 1.542(8) . ?
C25 Ru1 1.891(6) . ?
C28 H28 0.9500 . ?
C28 C27 1.331(8) . ?
C11 H11a 0.9800 . ?
C11 H11b 0.9800 . ?
C11 H11c 0.9800 . ?
C11 C12 1.536(9) . ?
C5 H5a 0.9800 . ?
C5 H5b 0.9800 . ?
C5 H5c 0.9800 . ?
C5 C8 1.542(8) . ?
C23 H23 0.9500 . ?
C23 C22 1.326(9) . ?
C33 C30 1.532(8) . ?
C33 C32 1.528(8) . ?
C33 C31 1.530(8) . ?
C20 C18 1.537(8) . ?
C20 C17 1.533(9) . ?
C20 C19 1.538(8) . ?
C30 H30a 0.9800 . ?
C30 H30b 0.9800 . ?
C30 H30c 0.9800 . ?
C12 C10 1.534(8) . ?
C37 C35 1.534(8) . ?
C37 C36 1.532(8) . ?
C37 C34 1.534(8) . ?
C35 H35a 0.9800 . ?
C35 H35b 0.9800 . ?
C35 H35c 0.9800 . ?
C39 H39 0.9500 . ?
C39 C40 1.348(8) . ?
C36 H36a 0.9800 . ?
C36 H36b 0.9800 . ?
C36 H36c 0.9800 . ?
C14 H14a 0.9800 . ?
C14 H14b 0.9800 . ?
C14 H14c 0.9800 . ?
C14 C16 1.538(8) . ?
C38 H38a 0.9800 . ?
C38 H38b 0.9800 . ?
C38 H38c 0.9800 . ?
C42 H42a 0.9800 . ?
C42 H42b 0.9800 . ?
C42 H42c 0.9800 . ?
C42 C45 1.519(8) . ?
C46 H46a 0.9800 . ?
C46 H46b 0.9800 . ?
C46 H46c 0.9800 . ?
C46 C49 1.530(9) . ?
C6 H6a 0.9800 . ?
C6 H6b 0.9800 . ?
C6 H6c 0.9800 . ?
C6 C8 1.539(8) . ?
C22 H22 0.9500 . ?
C2 H2 0.9500 . ?
C48 H48a 0.9800 . ?
C48 H48b 0.9800 . ?
C48 H48c 0.9800 . ?
C48 C49 1.518(8) . ?
C34 H34a 0.9800 . ?
C34 H34b 0.9800 . ?
C34 H34c 0.9800 . ?
C15 H15a 0.9800 . ?
C15 H15b 0.9800 . ?
C15 H15c 0.9800 . ?
C15 C16 1.555(8) . ?
C32 H32a 0.9800 . ?
C32 H32b 0.9800 . ?
C32 H32c 0.9800 . ?
C7 H7a 0.9800 . ?
C7 H7b 0.9800 . ?
C7 H7c 0.9800 . ?
C7 C8 1.531(8) . ?
C49 C47 1.536(9) . ?
C21 H21a 0.9800 . ?
C21 H21b 0.9800 . ?
C21 H21c 0.9800 . ?
C13 H13a 0.9800 . ?
C13 H13b 0.9800 . ?
C13 H13c 0.9800 . ?
C13 C16 1.525(8) . ?
C45 C43 1.527(9) . ?
C45 C44 1.517(10) . ?
C18 H18a 0.9800 . ?
C18 H18b 0.9800 . ?
C18 H18c 0.9800 . ?
C27 H27 0.9500 . ?
C26 H26a 0.9800 . ?
C26 H26b 0.9800 . ?
C26 H26c 0.9800 . ?
C31 H31a 0.9800 . ?
C31 H31b 0.9800 . ?
C31 H31c 0.9800 . ?
C17 H17a 0.9800 . ?
C17 H17b 0.9800 . ?
C17 H17c 0.9800 . ?
C43 H43a 0.9800 . ?
C43 H43b 0.9800 . ?
C43 H43c 0.9800 . ?
C47 H47a 0.9800 . ?
C47 H47b 0.9800 . ?
C47 H47c 0.9800 . ?
C19 H19a 0.9800 . ?
C19 H19b 0.9800 . ?
C19 H19c 0.9800 . ?
C40 H40 0.9500 . ?
C44 H44a 0.9800 . ?
C44 H44b 0.9800 . ?
C44 H44c 0.9800 . ?
C10 H10a 0.9800 . ?
C10 H10b 0.9800 . ?
C10 H10c 0.9800 . ?
Cl4 C62 1.745(12) . ?
Cl3 C62 1.715(13) . ?
C60 H60 0.9500 . ?
C60 C59 1.380(13) . ?
C60 C61 1.369(13) . ?
C56 H56 0.9500 . ?
C56 C57 1.386(14) . ?
C56 C61 1.348(13) . ?
C59 H59 0.9500 . ?
C59 C58 1.369(14) . ?
C57 H57 0.9500 . ?
C57 C58 1.404(14) . ?
C61 H61 0.9500 . ?
C58 H58 0.9500 . ?
C62 H62a 0.9900 . ?
C62 H62b 0.9900 . ?
C55 H55a 0.9800 . ?
C55 H55b 0.9800 . ?
C55 H55c 0.9800 . ?
C55 C54 1.53(2) . ?
C54 H54a 0.9900 . ?
C54 H54b 0.9900 . ?
C54 C53 1.35(3) . ?
C53 H53a 0.9900 . ?
C53 H53b 0.9900 . ?
C53 C52 1.64(3) . ?
C52 H52a 0.9900 . ?
C52 H52b 0.9900 . ?
C52 C51 1.58(4) . ?
C51 H51a 0.9800 . ?
C51 H51b 0.9800 . ?
C51 H51c 0.9800 . ?

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
P4 Ru2 P3 117.88(5) . . ?
C41 Ru2 P3 65.50(14) . . ?
C41 Ru2 P4 99.14(15) . . ?
C29 Ru2 P3 164.17(15) . . ?
C29 Ru2 P4 63.23(16) . . ?
C29 Ru2 C41 98.7(2) . . ?
C50 Ru2 P3 98.87(17) . . ?
C50 Ru2 P4 98.40(18) . . ?
C50 Ru2 C41 160.6(2) . . ?
C50 Ru2 C29 96.5(2) . . ?
N8 P3 Ru2 85.44(15) . . ?
C49 P3 Ru2 123.3(2) . . ?
C49 P3 N8 107.4(2) . . ?
C45 P3 Ru2 118.72(19) . . ?
C45 P3 N8 104.2(3) . . ?
C45 P3 C49 111.1(3) . . ?
N6 P4 Ru2 80.17(16) . . ?
C33 P4 Ru2 128.29(19) . . ?
C33 P4 N6 103.0(2) . . ?
C37 P4 Ru2 119.76(19) . . ?
C37 P4 N6 104.4(2) . . ?
C37 P4 C33 109.5(3) . . ?
C12 P2 N2 104.0(2) . . ?
C8 P2 N2 102.8(2) . . ?
C8 P2 C12 110.3(3) . . ?
Ru1 P2 N2 80.52(15) . . ?
Ru1 P2 C12 128.09(19) . . ?
Ru1 P2 C8 119.13(19) . . ?
C20 P1 N4 104.7(2) . . ?
C16 P1 N4 104.1(2) . . ?
C16 P1 C20 110.4(3) . . ?
Ru1 P1 N4 84.93(16) . . ?
Ru1 P1 C20 126.79(19) . . ?
Ru1 P1 C16 117.66(19) . . ?
C29 N6 P4 105.1(3) . . ?
C28 N6 P4 144.2(4) . . ?
C28 N6 C29 110.0(5) . . ?
C22 N3 C24 110.3(5) . . ?
C21 N3 C24 125.4(5) . . ?
C21 N3 C22 124.3(5) . . ?
C39 N7 C41 110.8(5) . . ?
C38 N7 C41 125.4(5) . . ?
C38 N7 C39 123.8(5) . . ?
C41 N8 P3 101.8(4) . . ?
C40 N8 P3 143.5(4) . . ?
C40 N8 C41 111.7(5) . . ?
C4 N2 P2 104.2(4) . . ?
C3 N2 P2 144.0(4) . . ?
C3 N2 C4 111.0(5) . . ?
C24 N4 P1 101.9(3) . . ?
C23 N4 P1 144.1(4) . . ?
C23 N4 C24 109.5(5) . . ?
C4 N1 C1 125.0(5) . . ?
C2 N1 C1 123.9(5) . . ?
C2 N1 C4 111.1(5) . . ?
N4 C24 N3 105.7(5) . . ?
Ru1 C24 N3 147.0(4) . . ?
Ru1 C24 N4 106.4(4) . . ?
N7 C41 Ru2 148.8(4) . . ?
N8 C41 Ru2 106.3(4) . . ?
N8 C41 N7 104.4(5) . . ?
C27 N5 C29 109.3(5) . . ?
C26 N5 C29 125.2(5) . . ?
C26 N5 C27 125.4(5) . . ?
H1a C1 N1 109.5 . . ?
H1b C1 N1 109.5 . . ?
H1b C1 H1a 109.5 . . ?
H1c C1 N1 109.5 . . ?
H1c C1 H1a 109.5 . . ?
H1c C1 H1b 109.5 . . ?
N6 C29 Ru2 111.4(4) . . ?
N5 C29 Ru2 142.1(4) . . ?
N5 C29 N6 106.4(5) . . ?
N1 C4 N2 104.9(5) . . ?
Ru1 C4 N2 110.8(4) . . ?
Ru1 C4 N1 144.4(4) . . ?
H3 C3 N2 127.1(3) . . ?
C2 C3 N2 105.7(5) . . ?
C2 C3 H3 127.1(4) . . ?
O2 C50 Ru2 172.2(5) . . ?
H9b C9 H9a 109.5 . . ?
H9c C9 H9a 109.5 . . ?
H9c C9 H9b 109.5 . . ?
C12 C9 H9a 109.5 . . ?
C12 C9 H9b 109.5 . . ?
C12 C9 H9c 109.5 . . ?
Ru1 C25 O1 171.9(5) . . ?
H28 C28 N6 127.2(3) . . ?
C27 C28 N6 105.6(5) . . ?
C27 C28 H28 127.2(3) . . ?
H11b C11 H11a 109.5 . . ?
H11c C11 H11a 109.5 . . ?
H11c C11 H11b 109.5 . . ?
C12 C11 H11a 109.5 . . ?
C12 C11 H11b 109.5 . . ?
C12 C11 H11c 109.5 . . ?
H5b C5 H5a 109.5 . . ?
H5c C5 H5a 109.5 . . ?
H5c C5 H5b 109.5 . . ?
C8 C5 H5a 109.5 . . ?
C8 C5 H5b 109.5 . . ?
C8 C5 H5c 109.5 . . ?
H23 C23 N4 126.7(3) . . ?
C22 C23 N4 106.6(5) . . ?
C22 C23 H23 126.7(4) . . ?
C30 C33 P4 105.5(4) . . ?
C32 C33 P4 114.0(4) . . ?
C32 C33 C30 108.3(5) . . ?
C31 C33 P4 109.9(4) . . ?
C31 C33 C30 107.9(5) . . ?
C31 C33 C32 110.9(5) . . ?
C18 C20 P1 114.3(4) . . ?
C17 C20 P1 110.0(4) . . ?
C17 C20 C18 110.6(5) . . ?
C19 C20 P1 105.6(4) . . ?
C19 C20 C18 107.9(5) . . ?
C19 C20 C17 108.1(5) . . ?
H30a C30 C33 109.5 . . ?
H30b C30 C33 109.5 . . ?
H30b C30 H30a 109.5 . . ?
H30c C30 C33 109.5 . . ?
H30c C30 H30a 109.5 . . ?
H30c C30 H30b 109.5 . . ?
C9 C12 P2 114.7(4) . . ?
C11 C12 P2 110.0(4) . . ?
C11 C12 C9 110.2(5) . . ?
C10 C12 P2 106.1(4) . . ?
C10 C12 C9 107.1(5) . . ?
C10 C12 C11 108.4(5) . . ?
C35 C37 P4 105.9(4) . . ?
C36 C37 P4 108.1(4) . . ?
C36 C37 C35 109.9(5) . . ?
C34 C37 P4 116.3(4) . . ?
C34 C37 C35 109.5(5) . . ?
C34 C37 C36 107.1(5) . . ?
H35a C35 C37 109.5 . . ?
H35b C35 C37 109.5 . . ?
H35b C35 H35a 109.5 . . ?
H35c C35 C37 109.5 . . ?
H35c C35 H35a 109.5 . . ?
H35c C35 H35b 109.5 . . ?
H39 C39 N7 125.8(3) . . ?
C40 C39 N7 108.4(5) . . ?
C40 C39 H39 125.8(4) . . ?
H36a C36 C37 109.5 . . ?
H36b C36 C37 109.5 . . ?
H36b C36 H36a 109.5 . . ?
H36c C36 C37 109.5 . . ?
H36c C36 H36a 109.5 . . ?
H36c C36 H36b 109.5 . . ?
H14b C14 H14a 109.5 . . ?
H14c C14 H14a 109.5 . . ?
H14c C14 H14b 109.5 . . ?
C16 C14 H14a 109.5 . . ?
C16 C14 H14b 109.5 . . ?
C16 C14 H14c 109.5 . . ?
H38a C38 N7 109.5 . . ?
H38b C38 N7 109.5 . . ?
H38b C38 H38a 109.5 . . ?
H38c C38 N7 109.5 . . ?
H38c C38 H38a 109.5 . . ?
H38c C38 H38b 109.5 . . ?
H42b C42 H42a 109.5 . . ?
H42c C42 H42a 109.5 . . ?
H42c C42 H42b 109.5 . . ?
C45 C42 H42a 109.5 . . ?
C45 C42 H42b 109.5 . . ?
C45 C42 H42c 109.5 . . ?
H46b C46 H46a 109.5 . . ?
H46c C46 H46a 109.5 . . ?
H46c C46 H46b 109.5 . . ?
C49 C46 H46a 109.5 . . ?
C49 C46 H46b 109.5 . . ?
C49 C46 H46c 109.5 . . ?
H6b C6 H6a 109.5 . . ?
H6c C6 H6a 109.5 . . ?
H6c C6 H6b 109.5 . . ?
C8 C6 H6a 109.5 . . ?
C8 C6 H6b 109.5 . . ?
C8 C6 H6c 109.5 . . ?
C23 C22 N3 107.9(5) . . ?
H22 C22 N3 126.1(3) . . ?
H22 C22 C23 126.1(4) . . ?
C3 C2 N1 107.3(5) . . ?
H2 C2 N1 126.4(3) . . ?
H2 C2 C3 126.4(4) . . ?
H48b C48 H48a 109.5 . . ?
H48c C48 H48a 109.5 . . ?
H48c C48 H48b 109.5 . . ?
C49 C48 H48a 109.5 . . ?
C49 C48 H48b 109.5 . . ?
C49 C48 H48c 109.5 . . ?
H34a C34 C37 109.5 . . ?
H34b C34 C37 109.5 . . ?
H34b C34 H34a 109.5 . . ?
H34c C34 C37 109.5 . . ?
H34c C34 H34a 109.5 . . ?
H34c C34 H34b 109.5 . . ?
H15b C15 H15a 109.5 . . ?
H15c C15 H15a 109.5 . . ?
H15c C15 H15b 109.5 . . ?
C16 C15 H15a 109.5 . . ?
C16 C15 H15b 109.5 . . ?
C16 C15 H15c 109.5 . . ?
H32a C32 C33 109.5 . . ?
H32b C32 C33 109.5 . . ?
H32b C32 H32a 109.5 . . ?
H32c C32 C33 109.5 . . ?
H32c C32 H32a 109.5 . . ?
H32c C32 H32b 109.5 . . ?
H7b C7 H7a 109.5 . . ?
H7c C7 H7a 109.5 . . ?
H7c C7 H7b 109.5 . . ?
C8 C7 H7a 109.5 . . ?
C8 C7 H7b 109.5 . . ?
C8 C7 H7c 109.5 . . ?
C46 C49 P3 117.1(5) . . ?
C48 C49 P3 106.9(4) . . ?
C48 C49 C46 108.1(5) . . ?
C47 C49 P3 106.0(4) . . ?
C47 C49 C46 110.2(7) . . ?
C47 C49 C48 108.3(6) . . ?
H21a C21 N3 109.5 . . ?
H21b C21 N3 109.5 . . ?
H21b C21 H21a 109.5 . . ?
H21c C21 N3 109.5 . . ?
H21c C21 H21a 109.5 . . ?
H21c C21 H21b 109.5 . . ?
H13b C13 H13a 109.5 . . ?
H13c C13 H13a 109.5 . . ?
H13c C13 H13b 109.5 . . ?
C16 C13 H13a 109.5 . . ?
C16 C13 H13b 109.5 . . ?
C16 C13 H13c 109.5 . . ?
C42 C45 P3 108.6(4) . . ?
C43 C45 P3 115.4(5) . . ?
C43 C45 C42 106.2(6) . . ?
C44 C45 P3 107.4(5) . . ?
C44 C45 C42 108.9(6) . . ?
C44 C45 C43 110.2(7) . . ?
H18a C18 C20 109.5 . . ?
H18b C18 C20 109.5 . . ?
H18b C18 H18a 109.5 . . ?
H18c C18 C20 109.5 . . ?
H18c C18 H18a 109.5 . . ?
H18c C18 H18b 109.5 . . ?
C28 C27 N5 108.7(5) . . ?
H27 C27 N5 125.7(3) . . ?
H27 C27 C28 125.7(3) . . ?
H26a C26 N5 109.5 . . ?
H26b C26 N5 109.5 . . ?
H26b C26 H26a 109.5 . . ?
H26c C26 N5 109.5 . . ?
H26c C26 H26a 109.5 . . ?
H26c C26 H26b 109.5 . . ?
C5 C8 P2 108.7(4) . . ?
C6 C8 P2 115.9(4) . . ?
C6 C8 C5 107.0(5) . . ?
C7 C8 P2 106.7(4) . . ?
C7 C8 C5 108.7(5) . . ?
C7 C8 C6 109.8(5) . . ?
H31a C31 C33 109.5 . . ?
H31b C31 C33 109.5 . . ?
H31b C31 H31a 109.5 . . ?
H31c C31 C33 109.5 . . ?
H31c C31 H31a 109.5 . . ?
H31c C31 H31b 109.5 . . ?
C14 C16 P1 107.4(4) . . ?
C15 C16 P1 108.8(4) . . ?
C15 C16 C14 108.2(5) . . ?
C13 C16 P1 114.4(4) . . ?
C13 C16 C14 110.6(5) . . ?
C13 C16 C15 107.3(5) . . ?
H17a C17 C20 109.5 . . ?
H17b C17 C20 109.5 . . ?
H17b C17 H17a 109.5 . . ?
H17c C17 C20 109.5 . . ?
H17c C17 H17a 109.5 . . ?
H17c C17 H17b 109.5 . . ?
H43a C43 C45 109.5 . . ?
H43b C43 C45 109.5 . . ?
H43b C43 H43a 109.5 . . ?
H43c C43 C45 109.5 . . ?
H43c C43 H43a 109.5 . . ?
H43c C43 H43b 109.5 . . ?
H47a C47 C49 109.5 . . ?
H47b C47 C49 109.5 . . ?
H47b C47 H47a 109.5 . . ?
H47c C47 C49 109.5 . . ?
H47c C47 H47a 109.5 . . ?
H47c C47 H47b 109.5 . . ?
H19a C19 C20 109.5 . . ?
H19b C19 C20 109.5 . . ?
H19b C19 H19a 109.5 . . ?
H19c C19 C20 109.5 . . ?
H19c C19 H19a 109.5 . . ?
H19c C19 H19b 109.5 . . ?
C39 C40 N8 104.8(5) . . ?
H40 C40 N8 127.6(3) . . ?
H40 C40 C39 127.6(4) . . ?
H44a C44 C45 109.5 . . ?
H44b C44 C45 109.5 . . ?
H44b C44 H44a 109.5 . . ?
H44c C44 C45 109.5 . . ?
H44c C44 H44a 109.5 . . ?
H44c C44 H44b 109.5 . . ?
P1 Ru1 P2 117.43(5) . . ?
C24 Ru1 P2 98.78(15) . . ?
C24 Ru1 P1 65.87(16) . . ?
C4 Ru1 P2 64.11(16) . . ?
C4 Ru1 P1 160.62(15) . . ?
C4 Ru1 C24 94.8(2) . . ?
C25 Ru1 P2 98.94(18) . . ?
C25 Ru1 P1 100.09(18) . . ?
C25 Ru1 C24 161.2(2) . . ?
C25 Ru1 C4 98.6(2) . . ?
H10a C10 C12 109.5 . . ?
H10b C10 C12 109.5 . . ?
H10b C10 H10a 109.5 . . ?
H10c C10 C12 109.5 . . ?
H10c C10 H10a 109.5 . . ?
H10c C10 H10b 109.5 . . ?
C59 C60 H60 120.1(6) . . ?
C61 C60 H60 120.1(6) . . ?
C61 C60 C59 119.7(9) . . ?
C57 C56 H56 120.7(6) . . ?
C61 C56 H56 120.7(7) . . ?
C61 C56 C57 118.6(10) . . ?
H59 C59 C60 119.5(6) . . ?
C58 C59 C60 121.0(9) . . ?
C58 C59 H59 119.5(7) . . ?
H57 C57 C56 119.3(6) . . ?
C58 C57 C56 121.4(9) . . ?
C58 C57 H57 119.3(7) . . ?
C56 C61 C60 121.7(10) . . ?
H61 C61 C60 119.2(6) . . ?
H61 C61 C56 119.2(7) . . ?
C57 C58 C59 117.6(10) . . ?
H58 C58 C59 121.2(7) . . ?
H58 C58 C57 121.2(7) . . ?
Cl3 C62 Cl4 110.5(8) . . ?
H62a C62 Cl4 109.5(4) . . ?
H62a C62 Cl3 109.5(4) . . ?
H62b C62 Cl4 109.5(5) . . ?
H62b C62 Cl3 109.5(5) . . ?
H62b C62 H62a 108.1 . . ?
H55b C55 H55a 109.5 . . ?
H55c C55 H55a 109.5 . . ?
H55c C55 H55b 109.5 . . ?
C54 C55 H55a 109.5 . . ?
C54 C55 H55b 109.5 . . ?
C54 C55 H55c 109.5 . . ?
H54a C54 C55 108.5(11) . . ?
H54b C54 C55 108.5(11) . . ?
H54b C54 H54a 107.5 . . ?
C53 C54 C55 115(2) . . ?
C53 C54 H54a 108.5(15) . . ?
C53 C54 H54b 108.5(15) . . ?
H53a C53 C54 108.5(16) . . ?
H53b C53 C54 108.5(15) . . ?
H53b C53 H53a 107.5 . . ?
C52 C53 C54 115(2) . . ?
C52 C53 H53a 108.5(13) . . ?
C52 C53 H53b 108.5(13) . . ?
H52a C52 C53 107.3(13) . . ?
H52b C52 C53 107.3(13) . . ?
H52b C52 H52a 106.9 . . ?
C51 C52 C53 120(2) . . ?
C51 C52 H52a 107.3(19) . . ?
C51 C52 H52b 107.3(18) . . ?
H51a C51 C52 109.5 . . ?
H51b C51 C52 109.5 . . ?
H51b C51 H51a 109.5 . . ?
H51c C51 C52 109.5 . . ?
H51c C51 H51a 109.5 . . ?
H51c C51 H51b 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'

_vrf_PLAT412_ALERT_2_A           
;
PROBLEM: Short Intra XH3 .. XHn     H43B   ..  H46A    ..       1.63 Ang. 
RESPONSE: methyl rotation of adjacent tbutyl groups.
;
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lp009_0m
_database_code_depnum_ccdc_archive 'CCDC 1413640'
_audit_update_record             
;
2015-12-04 deposited with the CCDC.
2016-01-05 downloaded from the CCDC.
;
_audit_creation_date             2015-11-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C49 H54 N2 O P2 Ru Si, C H2 Cl2'
_chemical_formula_sum            'C50 H56 Cl2 N2 O P2 Ru Si'
_chemical_formula_weight         962.96
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1203(4)
_cell_length_b                   11.7277(5)
_cell_length_c                   20.6158(9)
_cell_angle_alpha                102.745(2)
_cell_angle_beta                 99.465(2)
_cell_angle_gamma                92.991(2)
_cell_volume                     2344.10(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9968
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      2.26
_shelx_estimated_absorpt_T_max   0.944
_shelx_estimated_absorpt_T_min   0.893
_exptl_absorpt_coefficient_mu    0.581
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7053
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0334 before and 0.0291 after correction.
The Ratio of minimum to maximum transmission is 0.9459.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0211
_diffrn_reflns_av_unetI/netI     0.0232
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            29990
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.472
_diffrn_reflns_theta_min         1.788
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9710
_reflns_number_total             10635
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.178
_refine_diff_density_min         -1.182
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     543
_refine_ls_number_reflns         10635
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0310
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0440P)²+2.3440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0827
_refine_ls_wR_factor_ref         0.0858
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C0AA(H0AA), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10),
 C11(H11), C12(H12), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18), C29(H29),
  C30(H30), C33(H33), C34(H34), C35(H35), C36(H36), C37(H37), C39(H39),
 C40(H40), C41(H41), C42(H42), C43(H43), C45(H45), C46(H46), C47(H47), C48(H48),
  C49(H49)
2.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C24(H24A,H24B,
 H24C), C25(H25A,H25B,H25C), C26(H26A,H26B,H26C), C31(H31A,H31B,H31C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.93335(2) 0.62024(2) 0.69612(2) 0.01312(5) Uani 1 1 d . . . . .
H H 0.812(3) 0.694(2) 0.7109(14) 0.034(7) Uiso 1 1 d . . . . .
P1 P 0.75480(5) 0.45586(4) 0.67426(2) 0.01605(10) Uani 1 1 d . . . . .
Si2 Si 0.96255(5) 0.82263(4) 0.69009(3) 0.01501(10) Uani 1 1 d . . . . .
P0A P 1.03114(5) 0.64884(4) 0.81083(2) 0.01596(10) Uani 1 1 d . . . . .
O3 O 1.18694(15) 0.51644(15) 0.65769(8) 0.0289(3) Uani 1 1 d . . . . .
N1 N 0.83066(17) 0.57342(15) 0.53220(8) 0.0190(3) Uani 1 1 d . . . . .
N27 N 0.72814(16) 0.48645(14) 0.59384(8) 0.0182(3) Uani 1 1 d . . . . .
C0AA C 0.8192(2) 0.74766(19) 0.86707(11) 0.0254(4) Uani 1 1 d . . . . .
H0AA H 0.7963 0.7713 0.8258 0.030 Uiso 1 1 calc R . . . .
C1AA C 0.9279(2) 0.68157(19) 0.87662(10) 0.0222(4) Uani 1 1 d . . . . .
C2 C 1.0901(2) 0.55426(17) 0.67337(10) 0.0191(4) Uani 1 1 d . . . . .
C3 C 0.7439(3) 0.7792(2) 0.91788(13) 0.0359(5) Uani 1 1 d . . . . .
H3 H 0.6698 0.8244 0.9111 0.043 Uiso 1 1 calc R . . . .
C4 C 0.7764(3) 0.7451(3) 0.97801(13) 0.0430(6) Uani 1 1 d . . . . .
H4 H 0.7246 0.7668 1.0125 0.052 Uiso 1 1 calc R . . . .
C5 C 0.8843(3) 0.6794(3) 0.98807(13) 0.0433(6) Uani 1 1 d . . . . .
H5 H 0.9066 0.6561 1.0295 0.052 Uiso 1 1 calc R . . . .
C6 C 0.9602(3) 0.6474(2) 0.93765(11) 0.0333(5) Uani 1 1 d . . . . .
H6 H 1.0343 0.6022 0.9447 0.040 Uiso 1 1 calc R . . . .
C7 C 1.1782(2) 0.75703(17) 0.84743(10) 0.0210(4) Uani 1 1 d . . . . .
C8 C 1.1962(2) 0.8295(2) 0.91251(12) 0.0292(5) Uani 1 1 d . . . . .
H8 H 1.1321 0.8227 0.9406 0.035 Uiso 1 1 calc R . . . .
C9 C 1.3077(3) 0.9113(2) 0.93622(14) 0.0388(6) Uani 1 1 d . . . . .
H9 H 1.3187 0.9608 0.9803 0.047 Uiso 1 1 calc R . . . .
C10 C 1.4027(3) 0.9212(2) 0.89608(15) 0.0422(6) Uani 1 1 d . . . . .
H10 H 1.4790 0.9770 0.9128 0.051 Uiso 1 1 calc R . . . .
C11 C 1.3865(2) 0.8502(2) 0.83180(14) 0.0372(6) Uani 1 1 d . . . . .
H11 H 1.4519 0.8567 0.8043 0.045 Uiso 1 1 calc R . . . .
C12 C 1.2742(2) 0.76896(19) 0.80727(12) 0.0262(4) Uani 1 1 d . . . . .
H12 H 1.2628 0.7211 0.7627 0.031 Uiso 1 1 calc R . . . .
C13 C 1.1018(2) 0.51317(18) 0.82624(10) 0.0205(4) Uani 1 1 d . . . . .
C14 C 1.2364(2) 0.4937(2) 0.82708(14) 0.0353(6) Uani 1 1 d . . . . .
H14 H 1.2984 0.5552 0.8240 0.042 Uiso 1 1 calc R . . . .
C15 C 1.2814(3) 0.3853(2) 0.83236(16) 0.0430(7) Uani 1 1 d . . . . .
H15 H 1.3736 0.3735 0.8328 0.052 Uiso 1 1 calc R . . . .
C16 C 1.1930(3) 0.2948(2) 0.83698(12) 0.0332(5) Uani 1 1 d . . . . .
H16 H 1.2238 0.2208 0.8403 0.040 Uiso 1 1 calc R . . . .
C17 C 1.0596(3) 0.3133(2) 0.83668(12) 0.0316(5) Uani 1 1 d . . . . .
H17 H 0.9980 0.2518 0.8400 0.038 Uiso 1 1 calc R . . . .
C18 C 1.0147(2) 0.4214(2) 0.83162(12) 0.0281(5) Uani 1 1 d . . . . .
H18 H 0.9225 0.4329 0.8318 0.034 Uiso 1 1 calc R . . . .
C19 C 0.7840(2) 0.29429(17) 0.65349(11) 0.0227(4) Uani 1 1 d . . . . .
C20 C 0.6991(3) 0.2223(2) 0.58717(13) 0.0348(5) Uani 1 1 d . . . . .
H20A H 0.7113 0.1388 0.5832 0.052 Uiso 1 1 calc GR . . . .
H20B H 0.7277 0.2474 0.5490 0.052 Uiso 1 1 calc GR . . . .
H20C H 0.6040 0.2345 0.5870 0.052 Uiso 1 1 calc GR . . . .
C21 C 0.7593(2) 0.2358(2) 0.71086(13) 0.0309(5) Uani 1 1 d . . . . .
H21A H 0.6624 0.2251 0.7104 0.046 Uiso 1 1 calc GR . . . .
H21B H 0.8039 0.2858 0.7544 0.046 Uiso 1 1 calc GR . . . .
H21C H 0.7960 0.1592 0.7043 0.046 Uiso 1 1 calc GR . . . .
C22 C 0.9332(2) 0.28895(19) 0.64681(13) 0.0289(5) Uani 1 1 d . . . . .
H22A H 0.9903 0.3281 0.6900 0.043 Uiso 1 1 calc GR . . . .
H22B H 0.9516 0.3286 0.6116 0.043 Uiso 1 1 calc GR . . . .
H22C H 0.9527 0.2068 0.6345 0.043 Uiso 1 1 calc GR . . . .
C23 C 0.5867(2) 0.47351(18) 0.70157(11) 0.0232(4) Uani 1 1 d . . . . .
C24 C 0.6093(2) 0.4771(2) 0.77757(12) 0.0335(5) Uani 1 1 d . . . . .
H24A H 0.5298 0.5035 0.7959 0.050 Uiso 1 1 calc GR . . . .
H24B H 0.6881 0.5317 0.8008 0.050 Uiso 1 1 calc GR . . . .
H24C H 0.6245 0.3984 0.7844 0.050 Uiso 1 1 calc GR . . . .
C25 C 0.5410(2) 0.5921(2) 0.69101(14) 0.0310(5) Uani 1 1 d . . . . .
H25A H 0.5351 0.5940 0.6433 0.046 Uiso 1 1 calc GR . . . .
H25B H 0.6063 0.6557 0.7191 0.046 Uiso 1 1 calc GR . . . .
H25C H 0.4526 0.6023 0.7038 0.046 Uiso 1 1 calc GR . . . .
C26 C 0.4738(2) 0.3775(2) 0.66337(14) 0.0315(5) Uani 1 1 d . . . . .
H26A H 0.4990 0.3011 0.6706 0.047 Uiso 1 1 calc GR . . . .
H26B H 0.4602 0.3754 0.6149 0.047 Uiso 1 1 calc GR . . . .
H26C H 0.3902 0.3948 0.6802 0.047 Uiso 1 1 calc GR . . . .
C28 C 0.83316(18) 0.56691(16) 0.59668(10) 0.0165(4) Uani 1 1 d . . . . .
C29 C 0.7220(2) 0.50171(19) 0.48948(10) 0.0238(4) Uani 1 1 d . . . . .
H29 H 0.6979 0.4932 0.4420 0.029 Uiso 1 1 calc R . . . .
C30 C 0.6577(2) 0.44686(19) 0.52774(11) 0.0245(4) Uani 1 1 d . . . . .
H30 H 0.5801 0.3923 0.5128 0.029 Uiso 1 1 calc R . . . .
C31 C 0.9283(2) 0.64125(19) 0.50767(11) 0.0250(4) Uani 1 1 d . . . . .
H31A H 0.9982 0.6821 0.5457 0.038 Uiso 1 1 calc GR . . . .
H31B H 0.8829 0.6989 0.4863 0.038 Uiso 1 1 calc GR . . . .
H31C H 0.9696 0.5883 0.4745 0.038 Uiso 1 1 calc GR . . . .
C32 C 1.1358(2) 0.88773(18) 0.68204(10) 0.0212(4) Uani 1 1 d . . . . .
C33 C 1.2261(2) 0.8171(2) 0.65132(12) 0.0265(4) Uani 1 1 d . . . . .
H33 H 1.2018 0.7351 0.6352 0.032 Uiso 1 1 calc R . . . .
C34 C 1.3508(2) 0.8634(2) 0.64368(14) 0.0357(5) Uani 1 1 d . . . . .
H34 H 1.4100 0.8132 0.6227 0.043 Uiso 1 1 calc R . . . .
C35 C 1.3884(2) 0.9823(3) 0.66654(14) 0.0406(6) Uani 1 1 d . . . . .
H35 H 1.4739 1.0140 0.6620 0.049 Uiso 1 1 calc R . . . .
C36 C 1.3006(3) 1.0550(2) 0.69604(14) 0.0387(6) Uani 1 1 d . . . . .
H36 H 1.3255 1.1370 0.7113 0.046 Uiso 1 1 calc R . . . .
C37 C 1.1758(2) 1.0084(2) 0.70353(12) 0.0279(5) Uani 1 1 d . . . . .
H37 H 1.1165 1.0596 0.7237 0.033 Uiso 1 1 calc R . . . .
C38 C 0.9149(2) 0.93202(16) 0.76454(10) 0.0185(4) Uani 1 1 d . . . . .
C39 C 1.0070(2) 0.98097(17) 0.82407(11) 0.0225(4) Uani 1 1 d . . . . .
H39 H 1.0992 0.9680 0.8257 0.027 Uiso 1 1 calc R . . . .
C40 C 0.9669(2) 1.04812(19) 0.88096(11) 0.0286(5) Uani 1 1 d . . . . .
H40 H 1.0313 1.0782 0.9210 0.034 Uiso 1 1 calc R . . . .
C41 C 0.8334(3) 1.0713(2) 0.87942(12) 0.0321(5) Uani 1 1 d . . . . .
H41 H 0.8061 1.1173 0.9181 0.038 Uiso 1 1 calc R . . . .
C42 C 0.7405(2) 1.0263(2) 0.82059(12) 0.0289(5) Uani 1 1 d . . . . .
H42 H 0.6492 1.0428 0.8186 0.035 Uiso 1 1 calc R . . . .
C43 C 0.7806(2) 0.95743(18) 0.76474(11) 0.0225(4) Uani 1 1 d . . . . .
H43 H 0.7151 0.9262 0.7252 0.027 Uiso 1 1 calc R . . . .
C44 C 0.84868(19) 0.85759(16) 0.61378(10) 0.0175(4) Uani 1 1 d . . . . .
C45 C 0.7124(2) 0.81472(17) 0.59468(10) 0.0200(4) Uani 1 1 d . . . . .
H45 H 0.6750 0.7682 0.6207 0.024 Uiso 1 1 calc R . . . .
C46 C 0.6302(2) 0.83808(19) 0.53893(11) 0.0252(4) Uani 1 1 d . . . . .
H46 H 0.5380 0.8090 0.5282 0.030 Uiso 1 1 calc R . . . .
C47 C 0.6821(2) 0.9035(2) 0.49900(11) 0.0287(5) Uani 1 1 d . . . . .
H47 H 0.6265 0.9180 0.4604 0.034 Uiso 1 1 calc R . . . .
C48 C 0.8166(2) 0.9474(2) 0.51633(11) 0.0284(5) Uani 1 1 d . . . . .
H48 H 0.8536 0.9921 0.4893 0.034 Uiso 1 1 calc R . . . .
C49 C 0.8973(2) 0.92614(18) 0.57325(11) 0.0230(4) Uani 1 1 d . . . . .
H49 H 0.9882 0.9591 0.5851 0.028 Uiso 1 1 calc R . . . .
Cl1S Cl 1.47534(10) 0.77931(9) 1.07482(7) 0.0798(3) Uani 1 1 d . . . . .
Cl2S Cl 1.31773(14) 0.55523(11) 1.02807(9) 0.1057(5) Uani 1 1 d . . . . .
C1 C 1.4187(5) 0.6582(4) 1.0047(3) 0.0894(14) Uani 1 1 d . . . . .
H1A H 1.3669 0.6860 0.9671 0.107 Uiso 1 1 calc R . . . .
H1B H 1.4970 0.6214 0.9889 0.107 Uiso 1 1 calc R . . . .


_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
Ru1 H 1.57(3) . ?
Ru1 P1 2.4840(5) . ?
Ru1 Si2 2.4096(5) . ?
Ru1 P0A 2.3515(5) . ?
Ru1 C2 1.883(2) . ?
Ru1 C28 2.0753(19) . ?
P1 N27 1.7537(17) . ?
P1 C19 1.898(2) . ?
P1 C23 1.886(2) . ?
Si2 C32 1.922(2) . ?
Si2 C38 1.917(2) . ?
Si2 C44 1.926(2) . ?
P0A C1AA 1.832(2) . ?
P0A C7 1.845(2) . ?
P0A C13 1.847(2) . ?
O3 C2 1.161(2) . ?
N1 C28 1.344(2) . ?
N1 C29 1.397(3) . ?
N1 C31 1.458(3) . ?
N27 C28 1.369(2) . ?
N27 C30 1.396(3) . ?
C0AA H0AA 0.9500 . ?
C0AA C1AA 1.391(3) . ?
C0AA C3 1.391(3) . ?
C1AA C6 1.397(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.379(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.383(4) . ?
C5 H5 0.9500 . ?
C5 C6 1.390(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.398(3) . ?
C7 C12 1.397(3) . ?
C8 H8 0.9500 . ?
C8 C9 1.389(3) . ?
C9 H9 0.9500 . ?
C9 C10 1.384(4) . ?
C10 H10 0.9500 . ?
C10 C11 1.380(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.394(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.391(3) . ?
C13 C18 1.391(3) . ?
C14 H14 0.9500 . ?
C14 C15 1.393(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.382(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.378(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.388(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.533(3) . ?
C19 C21 1.540(3) . ?
C19 C22 1.542(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.537(3) . ?
C23 C25 1.537(3) . ?
C23 C26 1.540(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C29 H29 0.9500 . ?
C29 C30 1.345(3) . ?
C30 H30 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.401(3) . ?
C32 C37 1.403(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.394(3) . ?
C34 H34 0.9500 . ?
C34 C35 1.381(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.383(4) . ?
C36 H36 0.9500 . ?
C36 C37 1.396(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.401(3) . ?
C38 C43 1.407(3) . ?
C39 H39 0.9500 . ?
C39 C40 1.394(3) . ?
C40 H40 0.9500 . ?
C40 C41 1.388(3) . ?
C41 H41 0.9500 . ?
C41 C42 1.387(4) . ?
C42 H42 0.9500 . ?
C42 C43 1.386(3) . ?
C43 H43 0.9500 . ?
C44 C45 1.404(3) . ?
C44 C49 1.406(3) . ?
C45 H45 0.9500 . ?
C45 C46 1.391(3) . ?
C46 H46 0.9500 . ?
C46 C47 1.385(3) . ?
C47 H47 0.9500 . ?
C47 C48 1.390(3) . ?
C48 H48 0.9500 . ?
C48 C49 1.393(3) . ?
C49 H49 0.9500 . ?
Cl1S C1 1.781(5) . ?
Cl2S C1 1.739(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?

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
P1 Ru1 H 81.2(10) . . ?
Si2 Ru1 H 64.8(10) . . ?
Si2 Ru1 P1 140.709(17) . . ?
P0A Ru1 H 94.2(10) . . ?
P0A Ru1 P1 105.437(17) . . ?
P0A Ru1 Si2 96.659(18) . . ?
C2 Ru1 H 170.2(10) . . ?
C2 Ru1 P1 107.08(6) . . ?
C2 Ru1 Si2 105.52(6) . . ?
C2 Ru1 P0A 88.57(6) . . ?
C2 Ru1 C28 91.61(8) . . ?
C28 Ru1 H 87.3(10) . . ?
C28 Ru1 P1 64.95(5) . . ?
C28 Ru1 Si2 92.96(5) . . ?
C28 Ru1 P0A 169.96(5) . . ?
N27 P1 Ru1 81.66(6) . . ?
N27 P1 C19 101.78(9) . . ?
N27 P1 C23 103.52(9) . . ?
C19 P1 Ru1 124.74(7) . . ?
C23 P1 Ru1 123.30(7) . . ?
C23 P1 C19 109.59(9) . . ?
C32 Si2 Ru1 119.40(7) . . ?
C32 Si2 C44 101.46(9) . . ?
C38 Si2 Ru1 114.27(6) . . ?
C38 Si2 C32 103.92(9) . . ?
C38 Si2 C44 102.08(8) . . ?
C44 Si2 Ru1 113.53(6) . . ?
C1AA P0A Ru1 120.48(7) . . ?
C1AA P0A C7 101.09(10) . . ?
C1AA P0A C13 101.66(9) . . ?
C7 P0A Ru1 120.04(7) . . ?
C7 P0A C13 100.65(9) . . ?
C13 P0A Ru1 109.80(7) . . ?
C28 N1 C29 110.63(17) . . ?
C28 N1 C31 126.32(17) . . ?
C29 N1 C31 123.01(17) . . ?
C28 N27 P1 104.01(12) . . ?
C28 N27 C30 110.85(17) . . ?
C30 N27 P1 143.80(15) . . ?
C1AA C0AA H0AA 119.9 . . ?
C3 C0AA H0AA 119.9 . . ?
C3 C0AA C1AA 120.2(2) . . ?
C0AA C1AA P0A 119.13(16) . . ?
C0AA C1AA C6 119.2(2) . . ?
C6 C1AA P0A 121.55(17) . . ?
O3 C2 Ru1 177.38(18) . . ?
C0AA C3 H3 119.9 . . ?
C4 C3 C0AA 120.3(2) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.0(2) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 119.9 . . ?
C4 C5 C6 120.2(2) . . ?
C6 C5 H5 119.9 . . ?
C1AA C6 H6 119.9 . . ?
C5 C6 C1AA 120.1(2) . . ?
C5 C6 H6 119.9 . . ?
C8 C7 P0A 123.30(17) . . ?
C12 C7 P0A 118.11(16) . . ?
C12 C7 C8 118.6(2) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 C7 120.3(2) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 H9 119.8 . . ?
C10 C9 C8 120.5(2) . . ?
C10 C9 H9 119.8 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.0(2) . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 119.9(2) . . ?
C12 C11 H11 120.0 . . ?
C7 C12 H12 119.6 . . ?
C11 C12 C7 120.8(2) . . ?
C11 C12 H12 119.6 . . ?
C14 C13 P0A 123.36(16) . . ?
C18 C13 P0A 118.66(16) . . ?
C18 C13 C14 117.8(2) . . ?
C13 C14 H14 119.6 . . ?
C13 C14 C15 120.8(2) . . ?
C15 C14 H14 119.6 . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.6(2) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 H16 120.5 . . ?
C17 C16 C15 119.1(2) . . ?
C17 C16 H16 120.5 . . ?
C16 C17 H17 119.8 . . ?
C16 C17 C18 120.4(2) . . ?
C18 C17 H17 119.8 . . ?
C13 C18 H18 119.3 . . ?
C17 C18 C13 121.4(2) . . ?
C17 C18 H18 119.3 . . ?
C20 C19 P1 114.68(15) . . ?
C20 C19 C21 108.27(18) . . ?
C20 C19 C22 107.66(19) . . ?
C21 C19 P1 111.29(15) . . ?
C21 C19 C22 108.35(17) . . ?
C22 C19 P1 106.35(14) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C24 C23 P1 106.90(14) . . ?
C24 C23 C25 108.65(19) . . ?
C24 C23 C26 109.93(18) . . ?
C25 C23 P1 108.06(14) . . ?
C25 C23 C26 107.83(18) . . ?
C26 C23 P1 115.30(16) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N1 C28 Ru1 146.53(15) . . ?
N1 C28 N27 104.89(16) . . ?
N27 C28 Ru1 108.47(13) . . ?
N1 C29 H29 126.2 . . ?
C30 C29 N1 107.55(18) . . ?
C30 C29 H29 126.2 . . ?
N27 C30 H30 127.0 . . ?
C29 C30 N27 106.02(18) . . ?
C29 C30 H30 127.0 . . ?
N1 C31 H31A 109.5 . . ?
N1 C31 H31B 109.5 . . ?
N1 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 Si2 121.31(16) . . ?
C33 C32 C37 116.56(19) . . ?
C37 C32 Si2 122.06(16) . . ?
C32 C33 H33 119.0 . . ?
C34 C33 C32 122.0(2) . . ?
C34 C33 H33 119.0 . . ?
C33 C34 H34 120.0 . . ?
C35 C34 C33 120.1(2) . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 120.3 . . ?
C34 C35 C36 119.5(2) . . ?
C36 C35 H35 120.3 . . ?
C35 C36 H36 119.8 . . ?
C35 C36 C37 120.3(2) . . ?
C37 C36 H36 119.8 . . ?
C32 C37 H37 119.2 . . ?
C36 C37 C32 121.5(2) . . ?
C36 C37 H37 119.2 . . ?
C39 C38 Si2 122.50(15) . . ?
C39 C38 C43 116.27(18) . . ?
C43 C38 Si2 120.89(15) . . ?
C38 C39 H39 119.1 . . ?
C40 C39 C38 121.7(2) . . ?
C40 C39 H39 119.1 . . ?
C39 C40 H40 119.8 . . ?
C41 C40 C39 120.4(2) . . ?
C41 C40 H40 119.8 . . ?
C40 C41 H41 120.5 . . ?
C42 C41 C40 119.1(2) . . ?
C42 C41 H41 120.5 . . ?
C41 C42 H42 119.9 . . ?
C43 C42 C41 120.2(2) . . ?
C43 C42 H42 119.9 . . ?
C38 C43 H43 118.9 . . ?
C42 C43 C38 122.3(2) . . ?
C42 C43 H43 118.9 . . ?
C45 C44 Si2 121.97(14) . . ?
C45 C44 C49 115.92(18) . . ?
C49 C44 Si2 122.10(15) . . ?
C44 C45 H45 118.9 . . ?
C46 C45 C44 122.21(18) . . ?
C46 C45 H45 118.9 . . ?
C45 C46 H46 119.8 . . ?
C47 C46 C45 120.4(2) . . ?
C47 C46 H46 119.8 . . ?
C46 C47 H47 120.5 . . ?
C46 C47 C48 119.0(2) . . ?
C48 C47 H47 120.5 . . ?
C47 C48 H48 119.9 . . ?
C47 C48 C49 120.2(2) . . ?
C49 C48 H48 119.9 . . ?
C44 C49 H49 118.9 . . ?
C48 C49 C44 122.2(2) . . ?
C48 C49 H49 118.9 . . ?
Cl1S C1 H1A 109.6 . . ?
Cl1S C1 H1B 109.6 . . ?
Cl2S C1 Cl1S 110.1(3) . . ?
Cl2S C1 H1A 109.6 . . ?
Cl2S C1 H1B 109.6 . . ?
H1A C1 H1B 108.2 . . ?

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
Ru1 P1 N27 C28 7.58(11) . . . . ?
Ru1 P1 N27 C30 171.7(2) . . . . ?
Ru1 P1 C19 C20 -124.01(15) . . . . ?
Ru1 P1 C19 C21 112.66(14) . . . . ?
Ru1 P1 C19 C22 -5.14(18) . . . . ?
Ru1 P1 C23 C24 -78.07(16) . . . . ?
Ru1 P1 C23 C25 38.72(18) . . . . ?
Ru1 P1 C23 C26 159.40(13) . . . . ?
Ru1 P0A C1AA C0AA -33.5(2) . . . . ?
Ru1 P0A C1AA C6 150.13(17) . . . . ?
Ru1 P0A C7 C8 141.27(16) . . . . ?
Ru1 P0A C7 C12 -37.01(18) . . . . ?
Ru1 P0A C13 C14 96.2(2) . . . . ?
Ru1 P0A C13 C18 -78.17(17) . . . . ?
P1 N27 C28 Ru1 -9.49(14) . . . . ?
P1 N27 C28 N1 167.72(12) . . . . ?
P1 N27 C30 C29 -162.21(19) . . . . ?
Si2 C32 C33 C34 178.47(18) . . . . ?
Si2 C32 C37 C36 -178.55(19) . . . . ?
Si2 C38 C39 C40 -171.47(16) . . . . ?
Si2 C38 C43 C42 173.09(16) . . . . ?
Si2 C44 C45 C46 -178.90(16) . . . . ?
Si2 C44 C49 C48 177.21(17) . . . . ?
P0A C1AA C6 C5 176.3(2) . . . . ?
P0A C7 C8 C9 -178.25(18) . . . . ?
P0A C7 C12 C11 179.19(18) . . . . ?
P0A C13 C14 C15 -173.7(2) . . . . ?
P0A C13 C18 C17 173.74(17) . . . . ?
N1 C29 C30 N27 0.2(2) . . . . ?
N27 P1 C19 C20 -36.06(18) . . . . ?
N27 P1 C19 C21 -159.39(14) . . . . ?
N27 P1 C19 C22 82.81(15) . . . . ?
N27 P1 C23 C24 -166.89(15) . . . . ?
N27 P1 C23 C25 -50.10(17) . . . . ?
N27 P1 C23 C26 70.59(17) . . . . ?
C0AA C1AA C6 C5 0.0(4) . . . . ?
C0AA C3 C4 C5 0.1(4) . . . . ?
C1AA P0A C7 C8 6.0(2) . . . . ?
C1AA P0A C7 C12 -172.29(16) . . . . ?
C1AA P0A C13 C14 -135.2(2) . . . . ?
C1AA P0A C13 C18 50.50(19) . . . . ?
C1AA C0AA C3 C4 -0.1(4) . . . . ?
C3 C0AA C1AA P0A -176.40(18) . . . . ?
C3 C0AA C1AA C6 0.0(3) . . . . ?
C3 C4 C5 C6 -0.1(4) . . . . ?
C4 C5 C6 C1AA 0.0(4) . . . . ?
C7 P0A C1AA C0AA 101.49(18) . . . . ?
C7 P0A C1AA C6 -74.9(2) . . . . ?
C7 P0A C13 C14 -31.3(2) . . . . ?
C7 P0A C13 C18 154.31(17) . . . . ?
C7 C8 C9 C10 -0.7(4) . . . . ?
C8 C7 C12 C11 0.8(3) . . . . ?
C8 C9 C10 C11 0.5(4) . . . . ?
C9 C10 C11 C12 0.3(4) . . . . ?
C10 C11 C12 C7 -1.0(4) . . . . ?
C12 C7 C8 C9 0.0(3) . . . . ?
C13 P0A C1AA C0AA -155.05(17) . . . . ?
C13 P0A C1AA C6 28.6(2) . . . . ?
C13 P0A C7 C8 -98.28(18) . . . . ?
C13 P0A C7 C12 83.45(17) . . . . ?
C13 C14 C15 C16 -0.1(4) . . . . ?
C14 C13 C18 C17 -0.9(3) . . . . ?
C14 C15 C16 C17 -0.4(4) . . . . ?
C15 C16 C17 C18 0.2(4) . . . . ?
C16 C17 C18 C13 0.5(4) . . . . ?
C18 C13 C14 C15 0.7(4) . . . . ?
C19 P1 N27 C28 -116.32(13) . . . . ?
C19 P1 N27 C30 47.8(3) . . . . ?
C19 P1 C23 C24 85.15(16) . . . . ?
C19 P1 C23 C25 -158.06(15) . . . . ?
C19 P1 C23 C26 -37.38(19) . . . . ?
C23 P1 N27 C28 129.95(13) . . . . ?
C23 P1 N27 C30 -65.9(3) . . . . ?
C23 P1 C19 C20 73.07(19) . . . . ?
C23 P1 C19 C21 -50.26(17) . . . . ?
C23 P1 C19 C22 -168.06(15) . . . . ?
C28 N1 C29 C30 -1.8(2) . . . . ?
C28 N27 C30 C29 1.3(2) . . . . ?
C29 N1 C28 Ru1 177.7(2) . . . . ?
C29 N1 C28 N27 2.5(2) . . . . ?
C30 N27 C28 Ru1 -179.54(13) . . . . ?
C30 N27 C28 N1 -2.3(2) . . . . ?
C31 N1 C28 Ru1 -0.2(4) . . . . ?
C31 N1 C28 N27 -175.41(17) . . . . ?
C31 N1 C29 C30 176.21(18) . . . . ?
C32 C33 C34 C35 -0.2(4) . . . . ?
C33 C32 C37 C36 -1.5(3) . . . . ?
C33 C34 C35 C36 -1.0(4) . . . . ?
C34 C35 C36 C37 0.9(4) . . . . ?
C35 C36 C37 C32 0.4(4) . . . . ?
C37 C32 C33 C34 1.4(3) . . . . ?
C38 C39 C40 C41 -1.9(3) . . . . ?
C39 C38 C43 C42 -0.4(3) . . . . ?
C39 C40 C41 C42 0.2(3) . . . . ?
C40 C41 C42 C43 1.2(3) . . . . ?
C41 C42 C43 C38 -1.2(3) . . . . ?
C43 C38 C39 C40 1.9(3) . . . . ?
C44 C45 C46 C47 1.4(3) . . . . ?
C45 C44 C49 C48 -1.9(3) . . . . ?
C45 C46 C47 C48 -1.4(3) . . . . ?
C46 C47 C48 C49 -0.3(3) . . . . ?
C47 C48 C49 C44 2.0(3) . . . . ?
C49 C44 C45 C46 0.2(3) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_lp008_0m
_database_code_depnum_ccdc_archive 'CCDC 1413641'
_audit_update_record             
;
2015-07-19 deposited with the CCDC.
2016-01-05 downloaded from the CCDC.
;
_audit_creation_date             2015-05-13
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C43 H50 N2 O P2 Ru Si'
_chemical_formula_sum            'C43 H50 N2 O P2 Ru Si'
_chemical_formula_weight         801.95
_chemical_melting_point          ?
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_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'

_cell_length_a                   14.8100(8)
_cell_length_b                   17.6070(10)
_cell_length_c                   16.9584(9)
_cell_angle_alpha                90
_cell_angle_beta                 106.458(3)
_cell_angle_gamma                90
_cell_volume                     4240.9(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.29
_cell_measurement_theta_min      2.31
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.506
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6949
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0570 before and 0.0526 after correction.
The Ratio of minimum to maximum transmission is 0.9320.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1672
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0694
_diffrn_reflns_av_unetI/netI     0.0720
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38868
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.501
_diffrn_reflns_theta_min         1.614
_diffrn_ambient_temperature      150.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6793
_reflns_number_total             9693
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.444
_refine_diff_density_min         -0.380
_refine_diff_density_rms         0.086
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     462
_refine_ls_number_reflns         9693
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0718
_refine_ls_R_factor_gt           0.0413
_refine_ls_restrained_S_all      0.970
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0368P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0792
_refine_ls_wR_factor_ref         0.0861
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Uiso: H(0.04)
 Fixed X: H(0.15611)
 Fixed Y: H(0.1372)
 Fixed Z: H(0.276559)
3.a Aromatic/amide H refined with riding coordinates:
 C0AA(H0AA), C1AA(H1AA), C14(H14), C15(H15), C16(H16), C17(H17), C18(H18),
 C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C28(H28),
  C29(H29), C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36),
 C38(H38), C39(H39), C40(H40), C41(H41), C42(H42)
3.b Idealised Me refined as rotating group:
 C3AA(H3AA,H3AB,H3AC), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C),
 C10(H10A,H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.05076(2) 0.11690(2) 0.21786(2) 0.01531(6) Uani 1 1 d . . . . .
H H 0.1561 0.1372 0.2766 0.040 Uiso 1 1 d . . . . .
P1 P 0.07722(5) -0.00217(4) 0.29831(4) 0.01870(16) Uani 1 1 d . . . . .
P2 P -0.01071(5) 0.20813(4) 0.28859(4) 0.01640(15) Uani 1 1 d . . . . .
Si1 Si 0.12449(5) 0.21534(5) 0.16370(4) 0.01848(17) Uani 1 1 d . . . . .
N1 N 0.14088(15) -0.02624(13) 0.22927(13) 0.0218(5) Uani 1 1 d . . . . .
N2 N 0.15040(16) 0.00640(14) 0.10994(13) 0.0245(5) Uani 1 1 d . . . . .
C0AA C 0.1948(2) -0.06454(18) 0.12865(18) 0.0326(7) Uani 1 1 d . . . . .
H0AA H 0.2238 -0.0928 0.0947 0.039 Uiso 1 1 calc R . . . .
C1AA C 0.1888(2) -0.08495(18) 0.20302(18) 0.0316(7) Uani 1 1 d . . . . .
H1AA H 0.2125 -0.1302 0.2321 0.038 Uiso 1 1 calc R . . . .
C2AA C 0.11873(17) 0.03069(16) 0.17188(15) 0.0189(6) Uani 1 1 d . . . . .
C3AA C 0.1353(2) 0.04412(18) 0.03065(17) 0.0387(8) Uani 1 1 d . . . . .
H3AA H 0.0955 0.0122 -0.0128 0.058 Uiso 1 1 calc GR . . . .
H3AB H 0.1961 0.0524 0.0197 0.058 Uiso 1 1 calc GR . . . .
H3AC H 0.1042 0.0931 0.0317 0.058 Uiso 1 1 calc GR . . . .
C4AA C -0.0121(2) -0.08207(17) 0.28018(16) 0.0273(7) Uani 1 1 d . . . . .
C6 C -0.0667(2) -0.07591(19) 0.34423(18) 0.0357(8) Uani 1 1 d . . . . .
H6A H -0.0871 -0.0233 0.3470 0.054 Uiso 1 1 calc GR . . . .
H6B H -0.0259 -0.0912 0.3981 0.054 Uiso 1 1 calc GR . . . .
H6C H -0.1219 -0.1092 0.3286 0.054 Uiso 1 1 calc GR . . . .
C7 C -0.0802(2) -0.06784(19) 0.19387(18) 0.0388(8) Uani 1 1 d . . . . .
H7A H -0.1290 -0.1072 0.1814 0.058 Uiso 1 1 calc GR . . . .
H7B H -0.0451 -0.0694 0.1528 0.058 Uiso 1 1 calc GR . . . .
H7C H -0.1097 -0.0179 0.1926 0.058 Uiso 1 1 calc GR . . . .
C8 C 0.0264(2) -0.16309(17) 0.27881(18) 0.0362(8) Uani 1 1 d . . . . .
H8A H -0.0253 -0.1997 0.2706 0.054 Uiso 1 1 calc GR . . . .
H8B H 0.0736 -0.1736 0.3312 0.054 Uiso 1 1 calc GR . . . .
H8C H 0.0554 -0.1676 0.2338 0.054 Uiso 1 1 calc GR . . . .
C9 C 0.16375(19) -0.01157(17) 0.40333(15) 0.0240(6) Uani 1 1 d . . . . .
C10 C 0.25575(19) 0.02658(18) 0.39996(17) 0.0288(7) Uani 1 1 d . . . . .
H10A H 0.3010 0.0257 0.4548 0.043 Uiso 1 1 calc GR . . . .
H10B H 0.2430 0.0793 0.3816 0.043 Uiso 1 1 calc GR . . . .
H10C H 0.2820 -0.0009 0.3613 0.043 Uiso 1 1 calc GR . . . .
C11 C 0.1862(2) -0.09272(18) 0.43523(18) 0.0339(8) Uani 1 1 d . . . . .
H11A H 0.2102 -0.1218 0.3962 0.051 Uiso 1 1 calc GR . . . .
H11B H 0.1288 -0.1169 0.4411 0.051 Uiso 1 1 calc GR . . . .
H11C H 0.2339 -0.0914 0.4888 0.051 Uiso 1 1 calc GR . . . .
C12 C 0.1235(2) 0.03292(19) 0.46354(16) 0.0326(7) Uani 1 1 d . . . . .
H12A H 0.1674 0.0299 0.5189 0.049 Uiso 1 1 calc GR . . . .
H12B H 0.0628 0.0111 0.4639 0.049 Uiso 1 1 calc GR . . . .
H12C H 0.1148 0.0862 0.4463 0.049 Uiso 1 1 calc GR . . . .
C13 C 0.24143(18) 0.18954(16) 0.14387(16) 0.0228(6) Uani 1 1 d . . . . .
C14 C 0.3126(2) 0.15385(18) 0.20477(18) 0.0309(7) Uani 1 1 d . . . . .
H14 H 0.3014 0.1415 0.2557 0.037 Uiso 1 1 calc R . . . .
C15 C 0.3993(2) 0.13589(19) 0.1928(2) 0.0382(8) Uani 1 1 d . . . . .
H15 H 0.4469 0.1130 0.2360 0.046 Uiso 1 1 calc R . . . .
C16 C 0.4164(2) 0.15099(19) 0.1192(2) 0.0417(9) Uani 1 1 d . . . . .
H16 H 0.4748 0.1373 0.1104 0.050 Uiso 1 1 calc R . . . .
C17 C 0.3471(2) 0.1867(2) 0.0573(2) 0.0378(8) Uani 1 1 d . . . . .
H17 H 0.3584 0.1976 0.0061 0.045 Uiso 1 1 calc R . . . .
C18 C 0.2628(2) 0.20627(18) 0.06999(17) 0.0309(7) Uani 1 1 d . . . . .
H18 H 0.2172 0.2319 0.0275 0.037 Uiso 1 1 calc R . . . .
C19 C 0.05938(18) 0.26935(17) 0.06637(16) 0.0223(6) Uani 1 1 d . . . . .
C20 C 0.0763(2) 0.34686(18) 0.06211(18) 0.0296(7) Uani 1 1 d . . . . .
H20 H 0.1192 0.3711 0.1075 0.036 Uiso 1 1 calc R . . . .
C21 C 0.0317(2) 0.3899(2) -0.00729(19) 0.0377(8) Uani 1 1 d . . . . .
H21 H 0.0449 0.4426 -0.0087 0.045 Uiso 1 1 calc R . . . .
C22 C -0.0306(2) 0.3563(2) -0.07297(19) 0.0395(9) Uani 1 1 d . . . . .
H22 H -0.0613 0.3856 -0.1200 0.047 Uiso 1 1 calc R . . . .
C23 C -0.0491(2) 0.2791(2) -0.07096(18) 0.0376(8) Uani 1 1 d . . . . .
H23 H -0.0921 0.2554 -0.1167 0.045 Uiso 1 1 calc R . . . .
C24 C -0.0048(2) 0.23688(18) -0.00247(17) 0.0309(7) Uani 1 1 d . . . . .
H24 H -0.0182 0.1842 -0.0019 0.037 Uiso 1 1 calc R . . . .
C25 C -0.03252(18) 0.30358(16) 0.24335(16) 0.0212(6) Uani 1 1 d . . . . .
C26 C 0.0106(2) 0.36912(18) 0.27982(19) 0.0407(9) Uani 1 1 d . . . . .
H26 H 0.0559 0.3667 0.3322 0.049 Uiso 1 1 calc R . . . .
C27 C -0.0118(3) 0.4385(2) 0.2405(2) 0.0577(11) Uani 1 1 d . . . . .
H27 H 0.0189 0.4831 0.2663 0.069 Uiso 1 1 calc R . . . .
C28 C -0.0772(3) 0.4441(2) 0.1652(2) 0.0462(9) Uani 1 1 d . . . . .
H28 H -0.0922 0.4920 0.1390 0.055 Uiso 1 1 calc R . . . .
C29 C -0.1208(2) 0.3791(2) 0.12823(19) 0.0386(8) Uani 1 1 d . . . . .
H29 H -0.1670 0.3820 0.0764 0.046 Uiso 1 1 calc R . . . .
C30 C -0.0976(2) 0.30953(18) 0.16606(17) 0.0294(7) Uani 1 1 d . . . . .
H30 H -0.1266 0.2649 0.1389 0.035 Uiso 1 1 calc R . . . .
C31 C -0.12886(18) 0.19063(16) 0.30114(15) 0.0210(6) Uani 1 1 d . . . . .
C32 C -0.1665(2) 0.11875(18) 0.28882(18) 0.0314(7) Uani 1 1 d . . . . .
H32 H -0.1323 0.0792 0.2722 0.038 Uiso 1 1 calc R . . . .
C33 C -0.2547(2) 0.1029(2) 0.3005(2) 0.0465(9) Uani 1 1 d . . . . .
H33 H -0.2796 0.0529 0.2918 0.056 Uiso 1 1 calc R . . . .
C34 C -0.3048(2) 0.1597(2) 0.3243(2) 0.0419(9) Uani 1 1 d . . . . .
H34 H -0.3645 0.1492 0.3323 0.050 Uiso 1 1 calc R . . . .
C35 C -0.2679(2) 0.2322(2) 0.33666(19) 0.0366(8) Uani 1 1 d . . . . .
H35 H -0.3023 0.2715 0.3535 0.044 Uiso 1 1 calc R . . . .
C36 C -0.18092(19) 0.24794(18) 0.32457(17) 0.0280(7) Uani 1 1 d . . . . .
H36 H -0.1567 0.2982 0.3323 0.034 Uiso 1 1 calc R . . . .
C37 C 0.06009(17) 0.22930(15) 0.39435(15) 0.0182(6) Uani 1 1 d . . . . .
C38 C 0.02436(19) 0.22884(16) 0.46125(15) 0.0225(6) Uani 1 1 d . . . . .
H38 H -0.0402 0.2172 0.4535 0.027 Uiso 1 1 calc R . . . .
C39 C 0.0815(2) 0.24523(17) 0.54002(16) 0.0280(7) Uani 1 1 d . . . . .
H39 H 0.0558 0.2443 0.5853 0.034 Uiso 1 1 calc R . . . .
C40 C 0.1745(2) 0.26261(18) 0.55229(17) 0.0304(7) Uani 1 1 d . . . . .
H40 H 0.2129 0.2747 0.6059 0.036 Uiso 1 1 calc R . . . .
C41 C 0.2127(2) 0.26260(18) 0.48620(17) 0.0309(7) Uani 1 1 d . . . . .
H41 H 0.2775 0.2740 0.4948 0.037 Uiso 1 1 calc R . . . .
C42 C 0.15620(19) 0.24588(17) 0.40785(16) 0.0262(7) Uani 1 1 d . . . . .
H42 H 0.1826 0.2456 0.3629 0.031 Uiso 1 1 calc R . . . .
C1 C -0.06392(18) 0.11134(16) 0.13366(16) 0.0203(6) Uani 1 1 d . . . . .
O2 O -0.13303(14) 0.11163(12) 0.08081(12) 0.0342(5) Uani 1 1 d . . . . .
H1 H 0.1616(15) 0.2855(14) 0.2232(13) 0.010(6) Uiso 1 1 d . . . . .


_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
Ru1 H 1.6349(2) . ?
Ru1 P1 2.4712(8) . ?
Ru1 P2 2.3382(7) . ?
Ru1 Si1 2.3681(8) . ?
Ru1 C2AA 2.090(3) . ?
Ru1 C1 1.886(3) . ?
P1 N1 1.751(2) . ?
P1 C4AA 1.896(3) . ?
P1 C9 1.884(3) . ?
P2 C25 1.838(3) . ?
P2 C31 1.847(3) . ?
P2 C37 1.841(3) . ?
Si1 C13 1.910(3) . ?
Si1 C19 1.912(3) . ?
Si1 H1 1.59(2) . ?
N1 C1AA 1.397(3) . ?
N1 C2AA 1.371(3) . ?
N2 C0AA 1.405(4) . ?
N2 C2AA 1.336(3) . ?
N2 C3AA 1.459(3) . ?
C0AA H0AA 0.9500 . ?
C0AA C1AA 1.338(4) . ?
C1AA H1AA 0.9500 . ?
C3AA H3AA 0.9800 . ?
C3AA H3AB 0.9800 . ?
C3AA H3AC 0.9800 . ?
C4AA C6 1.530(4) . ?
C4AA C7 1.544(4) . ?
C4AA C8 1.539(4) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.535(4) . ?
C9 C11 1.531(4) . ?
C9 C12 1.535(4) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.398(4) . ?
C13 C18 1.407(4) . ?
C14 H14 0.9500 . ?
C14 C15 1.392(4) . ?
C15 H15 0.9500 . ?
C15 C16 1.369(4) . ?
C16 H16 0.9500 . ?
C16 C17 1.393(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.369(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.393(4) . ?
C19 C24 1.402(4) . ?
C20 H20 0.9500 . ?
C20 C21 1.398(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.364(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.389(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.378(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.378(4) . ?
C25 C30 1.394(4) . ?
C26 H26 0.9500 . ?
C26 C27 1.386(5) . ?
C27 H27 0.9500 . ?
C27 C28 1.370(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.375(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.379(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.375(4) . ?
C31 C36 1.394(4) . ?
C32 H32 0.9500 . ?
C32 C33 1.402(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.373(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.380(5) . ?
C35 H35 0.9500 . ?
C35 C36 1.389(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.381(3) . ?
C37 C42 1.407(4) . ?
C38 H38 0.9500 . ?
C38 C39 1.394(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.368(4) . ?
C40 H40 0.9500 . ?
C40 C41 1.392(4) . ?
C41 H41 0.9500 . ?
C41 C42 1.387(4) . ?
C42 H42 0.9500 . ?
C1 O2 1.154(3) . ?

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
P1 Ru1 H 82.798(18) . . ?
P2 Ru1 H 88.883(18) . . ?
P2 Ru1 P1 108.88(2) . . ?
P2 Ru1 Si1 89.16(3) . . ?
Si1 Ru1 H 67.095(19) . . ?
Si1 Ru1 P1 144.74(3) . . ?
C2AA Ru1 H 84.75(7) . . ?
C2AA Ru1 P1 64.67(7) . . ?
C2AA Ru1 P2 171.43(7) . . ?
C2AA Ru1 Si1 93.62(7) . . ?
C1 Ru1 H 166.27(8) . . ?
C1 Ru1 P1 109.99(9) . . ?
C1 Ru1 P2 91.49(8) . . ?
C1 Ru1 Si1 99.18(8) . . ?
C1 Ru1 C2AA 96.06(10) . . ?
N1 P1 Ru1 82.38(8) . . ?
N1 P1 C4AA 101.27(12) . . ?
N1 P1 C9 105.07(11) . . ?
C4AA P1 Ru1 123.07(9) . . ?
C9 P1 Ru1 123.75(10) . . ?
C9 P1 C4AA 110.17(13) . . ?
C25 P2 Ru1 117.52(8) . . ?
C25 P2 C31 98.07(12) . . ?
C25 P2 C37 101.88(12) . . ?
C31 P2 Ru1 117.62(9) . . ?
C37 P2 Ru1 116.22(9) . . ?
C37 P2 C31 102.60(12) . . ?
Ru1 Si1 H1 115.9(8) . . ?
C13 Si1 Ru1 115.78(9) . . ?
C13 Si1 C19 103.12(12) . . ?
C13 Si1 H1 97.4(8) . . ?
C19 Si1 Ru1 121.57(9) . . ?
C19 Si1 H1 99.2(8) . . ?
C1AA N1 P1 144.2(2) . . ?
C2AA N1 P1 103.41(17) . . ?
C2AA N1 C1AA 110.9(2) . . ?
C0AA N2 C3AA 123.5(2) . . ?
C2AA N2 C0AA 110.7(2) . . ?
C2AA N2 C3AA 125.6(2) . . ?
N2 C0AA H0AA 126.3 . . ?
C1AA C0AA N2 107.4(3) . . ?
C1AA C0AA H0AA 126.3 . . ?
N1 C1AA H1AA 127.0 . . ?
C0AA C1AA N1 106.1(3) . . ?
C0AA C1AA H1AA 127.0 . . ?
N1 C2AA Ru1 108.05(17) . . ?
N2 C2AA Ru1 147.0(2) . . ?
N2 C2AA N1 104.9(2) . . ?
N2 C3AA H3AA 109.5 . . ?
N2 C3AA H3AB 109.5 . . ?
N2 C3AA H3AC 109.5 . . ?
H3AA C3AA H3AB 109.5 . . ?
H3AA C3AA H3AC 109.5 . . ?
H3AB C3AA H3AC 109.5 . . ?
C6 C4AA P1 108.5(2) . . ?
C6 C4AA C7 109.1(2) . . ?
C6 C4AA C8 110.4(2) . . ?
C7 C4AA P1 105.74(19) . . ?
C8 C4AA P1 116.5(2) . . ?
C8 C4AA C7 106.3(2) . . ?
C4AA C6 H6A 109.5 . . ?
C4AA C6 H6B 109.5 . . ?
C4AA C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4AA C7 H7A 109.5 . . ?
C4AA C7 H7B 109.5 . . ?
C4AA C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4AA C8 H8A 109.5 . . ?
C4AA C8 H8B 109.5 . . ?
C4AA C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 P1 107.44(18) . . ?
C10 C9 C12 108.5(2) . . ?
C11 C9 P1 116.0(2) . . ?
C11 C9 C10 108.4(2) . . ?
C11 C9 C12 109.1(2) . . ?
C12 C9 P1 107.22(18) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 Si1 120.5(2) . . ?
C14 C13 C18 116.0(3) . . ?
C18 C13 Si1 123.4(2) . . ?
C13 C14 H14 119.1 . . ?
C15 C14 C13 121.9(3) . . ?
C15 C14 H14 119.1 . . ?
C14 C15 H15 119.8 . . ?
C16 C15 C14 120.4(3) . . ?
C16 C15 H15 119.8 . . ?
C15 C16 H16 120.4 . . ?
C15 C16 C17 119.2(3) . . ?
C17 C16 H16 120.4 . . ?
C16 C17 H17 119.8 . . ?
C18 C17 C16 120.4(3) . . ?
C18 C17 H17 119.8 . . ?
C13 C18 H18 118.9 . . ?
C17 C18 C13 122.1(3) . . ?
C17 C18 H18 118.9 . . ?
C20 C19 Si1 118.6(2) . . ?
C20 C19 C24 116.5(3) . . ?
C24 C19 Si1 125.0(2) . . ?
C19 C20 H20 119.1 . . ?
C19 C20 C21 121.7(3) . . ?
C21 C20 H20 119.1 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 C20 120.0(3) . . ?
C22 C21 H21 120.0 . . ?
C21 C22 H22 120.1 . . ?
C21 C22 C23 119.8(3) . . ?
C23 C22 H22 120.1 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.9(3) . . ?
C24 C23 H23 120.1 . . ?
C19 C24 H24 119.0 . . ?
C23 C24 C19 122.0(3) . . ?
C23 C24 H24 119.0 . . ?
C26 C25 P2 125.0(2) . . ?
C26 C25 C30 117.9(3) . . ?
C30 C25 P2 117.0(2) . . ?
C25 C26 H26 119.8 . . ?
C25 C26 C27 120.3(3) . . ?
C27 C26 H26 119.8 . . ?
C26 C27 H27 119.3 . . ?
C28 C27 C26 121.4(3) . . ?
C28 C27 H27 119.3 . . ?
C27 C28 H28 120.6 . . ?
C27 C28 C29 118.8(3) . . ?
C29 C28 H28 120.6 . . ?
C28 C29 H29 119.9 . . ?
C28 C29 C30 120.3(3) . . ?
C30 C29 H29 119.9 . . ?
C25 C30 H30 119.4 . . ?
C29 C30 C25 121.2(3) . . ?
C29 C30 H30 119.4 . . ?
C32 C31 P2 119.5(2) . . ?
C32 C31 C36 118.4(3) . . ?
C36 C31 P2 122.0(2) . . ?
C31 C32 H32 119.5 . . ?
C31 C32 C33 121.0(3) . . ?
C33 C32 H32 119.5 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.0(3) . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 120.2 . . ?
C33 C34 C35 119.6(3) . . ?
C35 C34 H34 120.2 . . ?
C34 C35 H35 119.8 . . ?
C34 C35 C36 120.4(3) . . ?
C36 C35 H35 119.8 . . ?
C31 C36 H36 119.7 . . ?
C35 C36 C31 120.5(3) . . ?
C35 C36 H36 119.7 . . ?
C38 C37 P2 123.6(2) . . ?
C38 C37 C42 118.2(2) . . ?
C42 C37 P2 118.12(19) . . ?
C37 C38 H38 119.5 . . ?
C37 C38 C39 121.1(3) . . ?
C39 C38 H38 119.5 . . ?
C38 C39 H39 119.9 . . ?
C40 C39 C38 120.3(3) . . ?
C40 C39 H39 119.9 . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 120.0(3) . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 120.0 . . ?
C42 C41 C40 119.9(3) . . ?
C42 C41 H41 120.0 . . ?
C37 C42 H42 119.7 . . ?
C41 C42 C37 120.6(3) . . ?
C41 C42 H42 119.7 . . ?
O2 C1 Ru1 176.4(2) . . ?

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
Ru1 P1 N1 C1AA -172.8(3) . . . . ?
Ru1 P1 N1 C2AA -9.73(15) . . . . ?
Ru1 P1 C4AA C6 -99.12(19) . . . . ?
Ru1 P1 C4AA C7 17.8(2) . . . . ?
Ru1 P1 C4AA C8 135.64(18) . . . . ?
Ru1 P1 C9 C10 -45.6(2) . . . . ?
Ru1 P1 C9 C11 -167.01(17) . . . . ?
Ru1 P1 C9 C12 70.8(2) . . . . ?
Ru1 P2 C25 C26 -118.1(2) . . . . ?
Ru1 P2 C25 C30 61.7(2) . . . . ?
Ru1 P2 C31 C32 16.7(3) . . . . ?
Ru1 P2 C31 C36 -164.73(19) . . . . ?
Ru1 P2 C37 C38 -128.8(2) . . . . ?
Ru1 P2 C37 C42 50.3(2) . . . . ?
P1 N1 C1AA C0AA 161.4(3) . . . . ?
P1 N1 C2AA Ru1 12.02(18) . . . . ?
P1 N1 C2AA N2 -167.88(17) . . . . ?
P2 C25 C26 C27 -179.4(3) . . . . ?
P2 C25 C30 C29 178.0(2) . . . . ?
P2 C31 C32 C33 177.9(2) . . . . ?
P2 C31 C36 C35 -177.4(2) . . . . ?
P2 C37 C38 C39 179.9(2) . . . . ?
P2 C37 C42 C41 179.7(2) . . . . ?
Si1 C13 C14 C15 -178.5(2) . . . . ?
Si1 C13 C18 C17 -179.7(2) . . . . ?
Si1 C19 C20 C21 179.6(2) . . . . ?
Si1 C19 C24 C23 -179.7(2) . . . . ?
N1 P1 C4AA C6 172.70(19) . . . . ?
N1 P1 C4AA C7 -70.4(2) . . . . ?
N1 P1 C4AA C8 47.5(2) . . . . ?
N1 P1 C9 C10 45.2(2) . . . . ?
N1 P1 C9 C11 -76.2(2) . . . . ?
N1 P1 C9 C12 161.67(19) . . . . ?
N2 C0AA C1AA N1 -0.1(3) . . . . ?
C0AA N2 C2AA Ru1 178.5(3) . . . . ?
C0AA N2 C2AA N1 -1.7(3) . . . . ?
C1AA N1 C2AA Ru1 -178.45(18) . . . . ?
C1AA N1 C2AA N2 1.6(3) . . . . ?
C2AA N1 C1AA C0AA -1.0(3) . . . . ?
C2AA N2 C0AA C1AA 1.1(3) . . . . ?
C3AA N2 C0AA C1AA -174.4(3) . . . . ?
C3AA N2 C2AA Ru1 -6.1(5) . . . . ?
C3AA N2 C2AA N1 173.7(3) . . . . ?
C4AA P1 N1 C1AA -50.5(3) . . . . ?
C4AA P1 N1 C2AA 112.60(18) . . . . ?
C4AA P1 C9 C10 153.5(2) . . . . ?
C4AA P1 C9 C11 32.2(2) . . . . ?
C4AA P1 C9 C12 -90.0(2) . . . . ?
C9 P1 N1 C1AA 64.2(4) . . . . ?
C9 P1 N1 C2AA -132.71(18) . . . . ?
C9 P1 C4AA C6 61.9(2) . . . . ?
C9 P1 C4AA C7 178.8(2) . . . . ?
C9 P1 C4AA C8 -63.4(2) . . . . ?
C13 C14 C15 C16 -1.9(5) . . . . ?
C14 C13 C18 C17 1.9(5) . . . . ?
C14 C15 C16 C17 2.0(5) . . . . ?
C15 C16 C17 C18 -0.2(5) . . . . ?
C16 C17 C18 C13 -1.8(5) . . . . ?
C18 C13 C14 C15 -0.1(5) . . . . ?
C19 C20 C21 C22 0.4(4) . . . . ?
C20 C19 C24 C23 0.0(4) . . . . ?
C20 C21 C22 C23 -0.5(5) . . . . ?
C21 C22 C23 C24 0.4(5) . . . . ?
C22 C23 C24 C19 -0.2(5) . . . . ?
C24 C19 C20 C21 -0.2(4) . . . . ?
C25 P2 C31 C32 143.6(2) . . . . ?
C25 P2 C31 C36 -37.8(2) . . . . ?
C25 P2 C37 C38 102.1(3) . . . . ?
C25 P2 C37 C42 -78.7(2) . . . . ?
C25 C26 C27 C28 0.4(6) . . . . ?
C26 C25 C30 C29 -2.2(4) . . . . ?
C26 C27 C28 C29 -0.3(6) . . . . ?
C27 C28 C29 C30 -1.0(5) . . . . ?
C28 C29 C30 C25 2.3(5) . . . . ?
C30 C25 C26 C27 0.9(5) . . . . ?
C31 P2 C25 C26 114.9(3) . . . . ?
C31 P2 C25 C30 -65.3(2) . . . . ?
C31 P2 C37 C38 0.9(3) . . . . ?
C31 P2 C37 C42 -179.9(2) . . . . ?
C31 C32 C33 C34 0.2(5) . . . . ?
C32 C31 C36 C35 1.2(4) . . . . ?
C32 C33 C34 C35 0.0(5) . . . . ?
C33 C34 C35 C36 0.4(5) . . . . ?
C34 C35 C36 C31 -1.1(5) . . . . ?
C36 C31 C32 C33 -0.8(4) . . . . ?
C37 P2 C25 C26 10.1(3) . . . . ?
C37 P2 C25 C30 -170.1(2) . . . . ?
C37 P2 C31 C32 -112.2(2) . . . . ?
C37 P2 C31 C36 66.4(2) . . . . ?
C37 C38 C39 C40 0.4(4) . . . . ?
C38 C37 C42 C41 -1.1(4) . . . . ?
C38 C39 C40 C41 -1.2(5) . . . . ?
C39 C40 C41 C42 0.8(5) . . . . ?
C40 C41 C42 C37 0.4(5) . . . . ?
C42 C37 C38 C39 0.7(4) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.000 0.500 0.500 221.8 52.1 ?
2 0.500 0.000 1.000 221.8 52.1 ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
