# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_4a
_database_code_depnum_ccdc_archive 'CCDC 1033295'
_audit_update_record             
;
2014-11-07 deposited with the CCDC.
2015-01-06 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C61 H62 B N O3 P2 Ru'
_chemical_formula_weight         1030.94

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic'
_symmetry_space_group_name_H-M   P2(1)/n

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

_cell_length_a                   17.8368(8)
_cell_length_b                   13.1629(6)
_cell_length_c                   24.6728(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 110.6802(16)
_cell_angle_gamma                90.00
_cell_volume                     5419.5(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9541
_cell_measurement_theta_min      2.66
_cell_measurement_theta_max      67.84

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_min          0.082
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_max          0.203
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.264
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2152
_exptl_absorpt_coefficient_mu    3.241
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5379
_exptl_absorpt_correction_T_max  0.7530
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'Incoatec I\muS microsource'
_diffrn_radiation_monochromator  'Incoatec Quazar MX multilayer optics'
_diffrn_measurement_device_type  'Bruker CCD Smart 6000'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            115822
_diffrn_reflns_av_R_equivalents  0.0609
_diffrn_reflns_av_sigmaI/netI    0.0259
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_theta_min         2.66
_diffrn_reflns_theta_max         68.11
_reflns_number_total             9391
_reflns_number_gt                8150
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'


_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)+(0.0552P)²+1.7797P] 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_number_reflns         9391
_refine_ls_number_parameters     625
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.1081
_refine_ls_wR_factor_gt          0.1045
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_restrained_S_all      1.101
_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
Ru Ru 0.448302(11) 0.092650(15) 0.245517(8) 0.05659(9) Uani 1 1 d . . .
C1 C 0.4616(3) -0.0560(3) 0.20805(17) 0.0990(11) Uani 1 1 d U . .
H1 H 0.4909 -0.0644 0.1838 0.119 Uiso 1 1 calc R . .
C2 C 0.3792(3) -0.0284(3) 0.19081(18) 0.1161(14) Uani 1 1 d U . .
H2 H 0.3446 -0.0136 0.1535 0.139 Uiso 1 1 calc R . .
C3 C 0.3609(2) -0.0281(3) 0.2424(2) 0.1015(11) Uani 1 1 d U . .
H3 H 0.3109 -0.0145 0.2446 0.122 Uiso 1 1 calc R . .
C4 C 0.4280(2) -0.0509(3) 0.28754(18) 0.0928(9) Uani 1 1 d U . .
H4 H 0.4320 -0.0545 0.3261 0.111 Uiso 1 1 calc R . .
C5 C 0.4897(2) -0.0678(2) 0.26721(16) 0.0886(9) Uani 1 1 d U . .
H5 H 0.5420 -0.0846 0.2899 0.106 Uiso 1 1 calc R . .
P1 P 0.35947(3) 0.22033(5) 0.24737(2) 0.05328(16) Uani 1 1 d . . .
C21 C 0.35040(14) 0.2391(2) 0.31887(10) 0.0579(6) Uani 1 1 d . . .
C22 C 0.36709(19) 0.1594(2) 0.35759(12) 0.0757(8) Uani 1 1 d . . .
H22 H 0.3834 0.0973 0.3475 0.091 Uiso 1 1 calc R . .
C23 C 0.3598(2) 0.1709(3) 0.41159(13) 0.0882(9) Uani 1 1 d . . .
H23 H 0.3706 0.1163 0.4372 0.106 Uiso 1 1 calc R . .
C24 C 0.3369(2) 0.2618(3) 0.42707(13) 0.0848(9) Uani 1 1 d . . .
H24 H 0.3316 0.2690 0.4630 0.102 Uiso 1 1 calc R . .
C25 C 0.3216(2) 0.3424(3) 0.38976(14) 0.0884(10) Uani 1 1 d . . .
H25 H 0.3066 0.4046 0.4006 0.106 Uiso 1 1 calc R . .
C26 C 0.32862(17) 0.3318(3) 0.33561(12) 0.0761(8) Uani 1 1 d . . .
H26 H 0.3186 0.3870 0.3106 0.091 Uiso 1 1 calc R . .
C31 C 0.37502(14) 0.35189(19) 0.22906(10) 0.0570(6) Uani 1 1 d . . .
C32 C 0.3230(2) 0.4024(2) 0.18198(13) 0.0826(9) Uani 1 1 d . . .
H32 H 0.2771 0.3696 0.1580 0.099 Uiso 1 1 calc R . .
C33 C 0.3379(3) 0.5009(3) 0.16972(15) 0.1009(11) Uani 1 1 d . . .
H33 H 0.3021 0.5336 0.1375 0.121 Uiso 1 1 calc R . .
C34 C 0.4046(3) 0.5509(3) 0.20449(18) 0.0989(10) Uani 1 1 d . . .
H34 H 0.4148 0.6171 0.1959 0.119 Uiso 1 1 calc R . .
C35 C 0.4561(2) 0.5027(3) 0.25190(17) 0.0938(11) Uani 1 1 d . . .
H35 H 0.5011 0.5367 0.2762 0.113 Uiso 1 1 calc R . .
C36 C 0.44203(18) 0.4038(2) 0.26420(15) 0.0750(8) Uani 1 1 d . . .
H36 H 0.4780 0.3716 0.2965 0.090 Uiso 1 1 calc R . .
C41 C 0.25646(15) 0.1972(2) 0.19826(11) 0.0630(6) Uani 1 1 d . . .
C42 C 0.19034(16) 0.2112(3) 0.21465(15) 0.0806(8) Uani 1 1 d . . .
H42 H 0.1973 0.2282 0.2527 0.097 Uiso 1 1 calc R . .
C43 C 0.11385(19) 0.1997(3) 0.17395(19) 0.1006(11) Uani 1 1 d . . .
H43 H 0.0694 0.2089 0.1848 0.121 Uiso 1 1 calc R . .
C44 C 0.1036(2) 0.1749(3) 0.11773(19) 0.1047(12) Uani 1 1 d . . .
H44 H 0.0521 0.1682 0.0907 0.126 Uiso 1 1 calc R . .
C45 C 0.1683(2) 0.1600(3) 0.10084(15) 0.0935(10) Uani 1 1 d . . .
H45 H 0.1607 0.1430 0.0627 0.112 Uiso 1 1 calc R . .
C46 C 0.24511(17) 0.1706(2) 0.14108(12) 0.0765(8) Uani 1 1 d . . .
H46 H 0.2892 0.1599 0.1300 0.092 Uiso 1 1 calc R . .
P2 P 0.49371(4) 0.18125(6) 0.18538(3) 0.06329(18) Uani 1 1 d . . .
O21 O 0.54649(13) 0.27485(17) 0.21707(9) 0.0852(6) Uani 1 1 d . . .
O22 O 0.54910(12) 0.12371(19) 0.15617(9) 0.0847(6) Uani 1 1 d . . .
O23 O 0.42637(11) 0.22054(18) 0.12846(8) 0.0803(6) Uani 1 1 d . . .
C51 C 0.5801(2) 0.3546(3) 0.19246(15) 0.0920(10) Uani 1 1 d . . .
H51A H 0.5386 0.4022 0.1712 0.110 Uiso 1 1 calc R . .
H51B H 0.6038 0.3260 0.1660 0.110 Uiso 1 1 calc R . .
C52 C 0.6426(2) 0.4075(3) 0.24142(18) 0.0992(12) Uani 1 1 d . . .
H52A H 0.6196 0.4296 0.2692 0.149 Uiso 1 1 calc R . .
H52B H 0.6623 0.4652 0.2268 0.149 Uiso 1 1 calc R . .
H52C H 0.6860 0.3615 0.2597 0.149 Uiso 1 1 calc R . .
C53 C 0.6276(2) 0.0867(4) 0.19232(19) 0.1199(16) Uani 1 1 d . . .
H53A H 0.6234 0.0485 0.2247 0.144 Uiso 1 1 calc R . .
H53B H 0.6636 0.1435 0.2075 0.144 Uiso 1 1 calc R . .
C54 C 0.6589(3) 0.0211(5) 0.1568(2) 0.162(2) Uani 1 1 d . . .
H54A H 0.6247 -0.0369 0.1438 0.243 Uiso 1 1 calc R . .
H54B H 0.7120 -0.0010 0.1795 0.243 Uiso 1 1 calc R . .
H54C H 0.6604 0.0586 0.1238 0.243 Uiso 1 1 calc R . .
C55 C 0.4359(2) 0.2647(4) 0.07729(14) 0.1130(14) Uani 1 1 d . . .
H55A H 0.4298 0.3379 0.0779 0.136 Uiso 1 1 calc R . .
H55B H 0.4893 0.2502 0.0774 0.136 Uiso 1 1 calc R . .
C56 C 0.3776(3) 0.2241(5) 0.02585(18) 0.153(2) Uani 1 1 d . . .
H56A H 0.3856 0.1522 0.0242 0.229 Uiso 1 1 calc R . .
H56B H 0.3832 0.2561 -0.0075 0.229 Uiso 1 1 calc R . .
H56C H 0.3248 0.2368 0.0263 0.229 Uiso 1 1 calc R . .
N1 N 0.53465(12) 0.15780(16) 0.31385(9) 0.0562(5) Uani 1 1 d . . .
C11 C 0.58587(16) 0.19240(19) 0.35111(11) 0.0592(6) Uani 1 1 d . . .
C12 C 0.65253(16) 0.2379(2) 0.39792(12) 0.0698(7) Uani 1 1 d . . .
H12A H 0.6968 0.2486 0.3844 0.084 Uiso 1 1 calc R . .
H12C H 0.6703 0.1905 0.4300 0.084 Uiso 1 1 calc R . .
C13 C 0.63226(15) 0.3377(2) 0.41952(10) 0.0610(6) Uani 1 1 d . . .
C14 C 0.6889(2) 0.4137(2) 0.43602(15) 0.0811(9) Uani 1 1 d . . .
H14 H 0.7386 0.4038 0.4324 0.097 Uiso 1 1 calc R . .
C15 C 0.6727(3) 0.5047(3) 0.45796(17) 0.1011(11) Uani 1 1 d . . .
H15 H 0.7117 0.5550 0.4700 0.121 Uiso 1 1 calc R . .
C16 C 0.5992(3) 0.5196(3) 0.46163(16) 0.0998(11) Uani 1 1 d . . .
H16 H 0.5876 0.5810 0.4756 0.120 Uiso 1 1 calc R . .
C17 C 0.5431(2) 0.4464(3) 0.44515(14) 0.0908(10) Uani 1 1 d . . .
H17 H 0.4929 0.4579 0.4475 0.109 Uiso 1 1 calc R . .
C18 C 0.55904(17) 0.3547(2) 0.42479(12) 0.0735(7) Uani 1 1 d . . .
H18 H 0.5202 0.3040 0.4146 0.088 Uiso 1 1 calc R . .
B B 0.76230(17) -0.1023(2) 0.43011(12) 0.0560(7) Uani 1 1 d . . .
C11B C 0.70472(14) -0.0383(2) 0.45766(10) 0.0580(6) Uani 1 1 d . . .
C12B C 0.73798(18) 0.0304(2) 0.50273(11) 0.0704(7) Uani 1 1 d . . .
H12B H 0.7934 0.0371 0.5179 0.084 Uiso 1 1 calc R . .
C13B C 0.6926(2) 0.0894(2) 0.52614(14) 0.0850(10) Uani 1 1 d . . .
H13B H 0.7179 0.1333 0.5567 0.102 Uiso 1 1 calc R . .
C14B C 0.6103(3) 0.0832(3) 0.50431(17) 0.0959(11) Uani 1 1 d . . .
H14B H 0.5795 0.1233 0.5194 0.115 Uiso 1 1 calc R . .
C15B C 0.5749(2) 0.0175(3) 0.46036(15) 0.0890(10) Uani 1 1 d . . .
H15B H 0.5193 0.0124 0.4453 0.107 Uiso 1 1 calc R . .
C16B C 0.62101(17) -0.0425(3) 0.43754(12) 0.0736(7) Uani 1 1 d . . .
H16B H 0.5950 -0.0873 0.4077 0.088 Uiso 1 1 calc R . .
C21B C 0.81575(15) -0.0167(2) 0.41147(10) 0.0580(6) Uani 1 1 d . . .
C22B C 0.89923(17) -0.0110(3) 0.43281(12) 0.0761(8) Uani 1 1 d . . .
H22B H 0.9283 -0.0601 0.4589 0.091 Uiso 1 1 calc R . .
C23B C 0.9406(2) 0.0659(3) 0.41624(15) 0.0931(10) Uani 1 1 d . . .
H23B H 0.9963 0.0674 0.4316 0.112 Uiso 1 1 calc R . .
C24B C 0.8998(2) 0.1394(3) 0.37750(15) 0.0928(10) Uani 1 1 d . . .
H24B H 0.9274 0.1908 0.3667 0.111 Uiso 1 1 calc R . .
C25B C 0.8179(2) 0.1358(3) 0.35510(14) 0.0810(8) Uani 1 1 d . . .
H25B H 0.7894 0.1846 0.3285 0.097 Uiso 1 1 calc R . .
C26B C 0.77748(17) 0.0595(2) 0.37205(12) 0.0669(7) Uani 1 1 d . . .
H26B H 0.7218 0.0589 0.3563 0.080 Uiso 1 1 calc R . .
C31B C 0.70821(15) -0.1698(2) 0.37382(11) 0.0576(6) Uani 1 1 d . . .
C32B C 0.6634(2) -0.2516(3) 0.38111(13) 0.0836(9) Uani 1 1 d . . .
H32B H 0.6630 -0.2647 0.4180 0.100 Uiso 1 1 calc R . .
C33B C 0.6195(2) -0.3145(3) 0.33638(15) 0.0951(10) Uani 1 1 d . . .
H33B H 0.5902 -0.3680 0.3436 0.114 Uiso 1 1 calc R . .
C34B C 0.6190(2) -0.2981(3) 0.28129(14) 0.0844(9) Uani 1 1 d . . .
H34B H 0.5905 -0.3409 0.2510 0.101 Uiso 1 1 calc R . .
C35B C 0.66096(18) -0.2182(2) 0.27198(12) 0.0738(8) Uani 1 1 d . . .
H35B H 0.6604 -0.2052 0.2348 0.089 Uiso 1 1 calc R . .
C36B C 0.70483(16) -0.1554(2) 0.31737(11) 0.0630(6) Uani 1 1 d . . .
H36B H 0.7331 -0.1015 0.3095 0.076 Uiso 1 1 calc R . .
C41B C 0.81999(15) -0.1842(2) 0.47702(11) 0.0594(6) Uani 1 1 d . . .
C42B C 0.82867(17) -0.1921(2) 0.53500(12) 0.0698(7) Uani 1 1 d . . .
H42B H 0.8015 -0.1463 0.5501 0.084 Uiso 1 1 calc R . .
C43B C 0.8763(2) -0.2656(3) 0.57141(14) 0.0904(10) Uani 1 1 d . . .
H43B H 0.8803 -0.2679 0.6100 0.108 Uiso 1 1 calc R . .
C44B C 0.9173(2) -0.3342(3) 0.55157(15) 0.0934(10) Uani 1 1 d . . .
H44B H 0.9487 -0.3836 0.5761 0.112 Uiso 1 1 calc R . .
C45B C 0.9113(2) -0.3291(3) 0.49463(16) 0.0975(11) Uani 1 1 d . . .
H45B H 0.9396 -0.3748 0.4804 0.117 Uiso 1 1 calc R . .
C46B C 0.8636(2) -0.2566(3) 0.45861(14) 0.0849(9) Uani 1 1 d . . .
H46B H 0.8601 -0.2554 0.4201 0.102 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
Ru N1 2.029(2) . ?
Ru C2 2.169(3) . ?
Ru C3 2.209(3) . ?
Ru C1 2.212(3) . ?
Ru C5 2.239(3) . ?
Ru C4 2.245(3) . ?
Ru P2 2.2508(7) . ?
Ru P1 2.3214(7) . ?
C1 C5 1.375(5) . ?
C1 C2 1.426(6) . ?
C2 C3 1.421(6) . ?
C3 C4 1.350(5) . ?
C4 C5 1.379(5) . ?
P1 C41 1.834(2) . ?
P1 C31 1.835(3) . ?
P1 C21 1.844(2) . ?
C21 C22 1.379(4) . ?
C21 C26 1.386(4) . ?
C22 C23 1.392(4) . ?
C23 C24 1.362(5) . ?
C24 C25 1.368(5) . ?
C25 C26 1.392(4) . ?
C31 C32 1.375(4) . ?
C31 C36 1.384(4) . ?
C32 C33 1.378(5) . ?
C33 C34 1.365(5) . ?
C34 C35 1.362(5) . ?
C35 C36 1.379(5) . ?
C41 C42 1.388(4) . ?
C41 C46 1.397(4) . ?
C42 C43 1.387(4) . ?
C43 C44 1.373(6) . ?
C44 C45 1.372(6) . ?
C45 C46 1.386(4) . ?
P2 O23 1.578(2) . ?
P2 O21 1.580(2) . ?
P2 O22 1.604(2) . ?
O21 C51 1.444(4) . ?
O22 C53 1.453(4) . ?
O23 C55 1.454(4) . ?
C51 C52 1.495(5) . ?
C53 C54 1.475(6) . ?
C55 C56 1.430(6) . ?
N1 C11 1.138(3) . ?
C11 C12 1.462(4) . ?
C12 C13 1.508(4) . ?
C13 C18 1.376(4) . ?
C13 C14 1.377(4) . ?
C14 C15 1.387(5) . ?
C15 C16 1.361(5) . ?
C16 C17 1.344(5) . ?
C17 C18 1.376(5) . ?
B C21B 1.643(4) . ?
B C31B 1.644(4) . ?
B C11B 1.649(4) . ?
B C41B 1.649(4) . ?
C11B C12B 1.393(4) . ?
C11B C16B 1.398(4) . ?
C12B C13B 1.386(4) . ?
C13B C14B 1.376(5) . ?
C14B C15B 1.356(5) . ?
C15B C16B 1.394(4) . ?
C21B C22B 1.395(4) . ?
C21B C26B 1.396(4) . ?
C22B C23B 1.397(4) . ?
C23B C24B 1.374(5) . ?
C24B C25B 1.368(5) . ?
C25B C26B 1.385(4) . ?
C31B C36B 1.386(3) . ?
C31B C32B 1.391(4) . ?
C32B C33B 1.381(4) . ?
C33B C34B 1.373(5) . ?
C34B C35B 1.358(4) . ?
C35B C36B 1.389(4) . ?
C41B C42B 1.387(4) . ?
C41B C46B 1.403(4) . ?
C42B C43B 1.388(4) . ?
C43B C44B 1.356(5) . ?
C44B C45B 1.373(5) . ?
C45B C46B 1.375(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ru C2 157.74(12) . . ?
N1 Ru C3 130.75(14) . . ?
C2 Ru C3 37.87(16) . . ?
N1 Ru C1 123.99(13) . . ?
C2 Ru C1 37.96(15) . . ?
C3 Ru C1 61.81(15) . . ?
N1 Ru C5 96.36(11) . . ?
C2 Ru C5 61.49(14) . . ?
C3 Ru C5 59.90(14) . . ?
C1 Ru C5 35.97(13) . . ?
N1 Ru C4 99.84(12) . . ?
C2 Ru C4 61.34(16) . . ?
C3 Ru C4 35.28(14) . . ?
C1 Ru C4 60.49(16) . . ?
C5 Ru C4 35.81(13) . . ?
N1 Ru P2 89.11(6) . . ?
C2 Ru P2 103.18(14) . . ?
C3 Ru P2 139.79(13) . . ?
C1 Ru P2 93.79(11) . . ?
C5 Ru P2 118.78(10) . . ?
C4 Ru P2 153.47(10) . . ?
N1 Ru P1 90.04(6) . . ?
C2 Ru P1 107.59(13) . . ?
C3 Ru P1 92.48(10) . . ?
C1 Ru P1 145.42(12) . . ?
C5 Ru P1 147.98(10) . . ?
C4 Ru P1 112.18(10) . . ?
P2 Ru P1 92.58(2) . . ?
C5 C1 C2 107.2(4) . . ?
C5 C1 Ru 73.08(19) . . ?
C2 C1 Ru 69.4(2) . . ?
C3 C2 C1 105.8(3) . . ?
C3 C2 Ru 72.58(19) . . ?
C1 C2 Ru 72.67(19) . . ?
C4 C3 C2 108.7(4) . . ?
C4 C3 Ru 73.8(2) . . ?
C2 C3 Ru 69.5(2) . . ?
C3 C4 C5 108.9(4) . . ?
C3 C4 Ru 70.9(2) . . ?
C5 C4 Ru 71.9(2) . . ?
C1 C5 C4 109.3(4) . . ?
C1 C5 Ru 71.0(2) . . ?
C4 C5 Ru 72.3(2) . . ?
C41 P1 C31 101.38(11) . . ?
C41 P1 C21 104.39(12) . . ?
C31 P1 C21 100.43(12) . . ?
C41 P1 Ru 113.47(9) . . ?
C31 P1 Ru 120.98(8) . . ?
C21 P1 Ru 114.02(8) . . ?
C22 C21 C26 118.5(2) . . ?
C22 C21 P1 119.4(2) . . ?
C26 C21 P1 122.1(2) . . ?
C21 C22 C23 120.7(3) . . ?
C24 C23 C22 120.2(3) . . ?
C23 C24 C25 120.1(3) . . ?
C24 C25 C26 120.2(3) . . ?
C21 C26 C25 120.3(3) . . ?
C32 C31 C36 117.8(3) . . ?
C32 C31 P1 123.3(2) . . ?
C36 C31 P1 118.9(2) . . ?
C31 C32 C33 121.1(3) . . ?
C34 C33 C32 120.5(3) . . ?
C35 C34 C33 119.3(3) . . ?
C34 C35 C36 120.6(3) . . ?
C35 C36 C31 120.8(3) . . ?
C42 C41 C46 119.5(2) . . ?
C42 C41 P1 122.8(2) . . ?
C46 C41 P1 117.6(2) . . ?
C43 C42 C41 119.6(3) . . ?
C44 C43 C42 120.2(3) . . ?
C45 C44 C43 121.0(3) . . ?
C44 C45 C46 119.5(3) . . ?
C45 C46 C41 120.2(3) . . ?
O23 P2 O21 108.54(13) . . ?
O23 P2 O22 98.68(11) . . ?
O21 P2 O22 103.69(12) . . ?
O23 P2 Ru 114.73(8) . . ?
O21 P2 Ru 111.60(7) . . ?
O22 P2 Ru 118.28(10) . . ?
C51 O21 P2 128.44(19) . . ?
C53 O22 P2 119.7(2) . . ?
C55 O23 P2 128.2(2) . . ?
O21 C51 C52 107.5(3) . . ?
O22 C53 C54 108.4(4) . . ?
C56 C55 O23 110.5(4) . . ?
C11 N1 Ru 176.5(2) . . ?
N1 C11 C12 178.5(3) . . ?
C11 C12 C13 114.0(2) . . ?
C18 C13 C14 118.5(3) . . ?
C18 C13 C12 121.9(3) . . ?
C14 C13 C12 119.6(3) . . ?
C13 C14 C15 120.7(3) . . ?
C16 C15 C14 119.3(3) . . ?
C17 C16 C15 120.5(3) . . ?
C16 C17 C18 120.8(3) . . ?
C13 C18 C17 120.2(3) . . ?
C21B B C31B 111.1(2) . . ?
C21B B C11B 105.8(2) . . ?
C31B B C11B 111.0(2) . . ?
C21B B C41B 111.4(2) . . ?
C31B B C41B 105.9(2) . . ?
C11B B C41B 111.7(2) . . ?
C12B C11B C16B 114.2(2) . . ?
C12B C11B B 120.6(2) . . ?
C16B C11B B 125.2(2) . . ?
C13B C12B C11B 123.4(3) . . ?
C14B C13B C12B 120.2(3) . . ?
C15B C14B C13B 118.8(3) . . ?
C14B C15B C16B 120.6(3) . . ?
C15B C16B C11B 122.8(3) . . ?
C22B C21B C26B 114.7(2) . . ?
C22B C21B B 125.4(2) . . ?
C26B C21B B 119.9(2) . . ?
C21B C22B C23B 122.2(3) . . ?
C24B C23B C22B 120.6(3) . . ?
C25B C24B C23B 119.0(3) . . ?
C24B C25B C26B 119.9(3) . . ?
C25B C26B C21B 123.6(3) . . ?
C36B C31B C32B 114.4(2) . . ?
C36B C31B B 125.4(2) . . ?
C32B C31B B 120.1(2) . . ?
C33B C32B C31B 123.4(3) . . ?
C34B C33B C32B 120.0(3) . . ?
C35B C34B C33B 118.6(3) . . ?
C34B C35B C36B 120.8(3) . . ?
C31B C36B C35B 122.8(3) . . ?
C42B C41B C46B 114.2(2) . . ?
C42B C41B B 126.0(2) . . ?
C46B C41B B 119.8(2) . . ?
C41B C42B C43B 122.7(3) . . ?
C44B C43B C42B 121.0(3) . . ?
C43B C44B C45B 118.7(3) . . ?
C44B C45B C46B 120.1(3) . . ?
C45B C46B C41B 123.3(3) . . ?

_diffrn_measured_fraction_theta_max 0.949
_diffrn_reflns_theta_full        66.50
_diffrn_measured_fraction_theta_full 0.966
_refine_diff_density_max         0.934
_refine_diff_density_min         -0.381
_refine_diff_density_rms         0.049
