# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2005

data_global

_journal_coden_Cambridge         182

_publ_contact_author_name        'Prof Alan Welch'
_publ_contact_author_address     
;
Prof Alan Welch
Department of Chemistry
Heriot-Watt University
Edinburgh EH14 4AS
;
_publ_contact_author_phone       '0131 451-3217'
_publ_contact_author_fax         '0131 451 3180'
_publ_contact_author_email       A.J.Welch@hw.ac.uk

_publ_requested_journal          'Chem Commun.'
_publ_requested_coeditor_name    ?

_publ_section_title              
;
Fourteen-vertex homo- and heterobimetallic metallacarboranes
;

# The loop structure below should contain the names and addresses of all
# authors, in the required order of publication. Repeat as necessary.

loop_
_publ_author_name
_publ_author_address

'Ellis, David'
;       Department of Chemistry
Heriot-Watt University
Edinburgh EH14 4AS
UK
;
'Lopez, Maria Elena'
;       Department of Chemistry
Heriot-Watt University
Edinburgh EH14 4AS
UK
;
'McIntosh, Ruaraidh'
;       Department of Chemistry
Heriot-Watt University
Edinburgh EH14 4AS
UK
;
'Rosair, Georgina M.'
;       Department of Chemistry
Heriot-Watt University
Edinburgh EH14 4AS
UK
;
'Welch, Alan J.'
;       Department of Chemistry
Heriot-Watt University
Edinburgh EH14 4AS
UK
;

#======================================================

data_3(x80382)
_database_code_depnum_ccdc_archive 'CCDC 260453'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C22 H40 B10 Ru2'
_chemical_formula_sum            'C22 H40 B10 Ru2'
_chemical_formula_weight         614.78

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'
B B 0.0013 0.0007 '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           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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

_cell_length_a                   16.319(2)
_cell_length_b                   16.9323(18)
_cell_length_c                   10.3987(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.413(5)
_cell_angle_gamma                90.00
_cell_volume                     2595.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    839
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      20.80

_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1240
_exptl_absorpt_coefficient_mu    1.175
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7989
_exptl_absorpt_correction_T_max  0.9328
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            14050
_diffrn_reflns_av_R_equivalents  0.0670
_diffrn_reflns_av_sigmaI/netI    0.1051
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.76
_diffrn_reflns_theta_max         28.65
_reflns_number_total             3319
_reflns_number_gt                1672
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0464P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3319
_refine_ls_number_parameters     188
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.1231
_refine_ls_R_factor_gt           0.0428
_refine_ls_wR_factor_ref         0.1082
_refine_ls_wR_factor_gt          0.0881
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_restrained_S_all      0.997
_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 0.61085(3) 0.665197(19) 0.68309(4) 0.04280(17) Uani 1 1 d . . .
B2 B 0.5160(5) 0.7620(3) 0.6832(7) 0.0467(15) Uani 1 1 d D . .
H2C H 0.525(3) 0.812(2) 0.648(5) 0.056 Uiso 1 1 d D . .
B3 B 0.4621(5) 0.6918(5) 0.5602(7) 0.071(2) Uani 1 1 d D . .
H3C H 0.444(3) 0.700(3) 0.454(4) 0.085 Uiso 1 1 d D . .
B4 B 0.4837(6) 0.5941(4) 0.6108(11) 0.088(3) Uani 1 1 d D . .
H4C H 0.467(4) 0.569(3) 0.520(5) 0.105 Uiso 1 1 d D . .
B5 B 0.5558(8) 0.5653(4) 0.7680(15) 0.122(5) Uani 1 1 d D . .
H5C H 0.582(4) 0.508(3) 0.767(7) 0.147 Uiso 1 1 d D . .
B6 B 0.6134(6) 0.6377(6) 0.8966(9) 0.092(3) Uani 1 1 d D . .
H6C H 0.674(3) 0.625(3) 0.973(5) 0.111 Uiso 1 1 d D . .
B7 B 0.5941(5) 0.7378(4) 0.8504(7) 0.0626(19) Uani 1 1 d D . .
H7C H 0.643(3) 0.777(3) 0.905(5) 0.075 Uiso 1 1 d D . .
C10 C 0.7441(3) 0.6049(3) 0.7269(5) 0.0449(12) Uani 1 1 d . A .
C11 C 0.6796(3) 0.5885(3) 0.5855(5) 0.0411(12) Uani 1 1 d . . .
H11 H 0.6661 0.5352 0.5547 0.049 Uiso 1 1 calc R . .
C12 C 0.6357(4) 0.6501(3) 0.4911(5) 0.0518(14) Uani 1 1 d . . .
H12 H 0.5932 0.6373 0.3970 0.062 Uiso 1 1 calc R . .
C13 C 0.6515(4) 0.7290(3) 0.5291(7) 0.0660(18) Uani 1 1 d . . .
C14 C 0.7120(5) 0.7455(3) 0.6695(7) 0.069(2) Uani 1 1 d . . .
H14 H 0.7225 0.7990 0.6996 0.083 Uiso 1 1 calc R . .
C15 C 0.7580(4) 0.6858(3) 0.7680(6) 0.0618(16) Uani 1 1 d . . .
H15 H 0.7986 0.6995 0.8627 0.074 Uiso 1 1 calc R . .
C16 C 0.6030(5) 0.7944(4) 0.4259(8) 0.126(3) Uani 1 1 d . . .
H16A H 0.5852 0.7759 0.3282 0.189 Uiso 1 1 calc R . .
H16B H 0.6435 0.8400 0.4446 0.189 Uiso 1 1 calc R . .
H16C H 0.5487 0.8099 0.4377 0.189 Uiso 1 1 calc R . .
C17 C 0.7986(4) 0.5399(4) 0.8252(7) 0.086(2) Uani 1 1 d D . .
H17A H 0.7885 0.5553 0.9101 0.103 Uiso 0.491(7) 1 calc PR A 1
H17B H 0.7526 0.4977 0.8108 0.103 Uiso 0.509(7) 1 calc PR A 2
C18A C 0.8487(7) 0.5417(6) 0.9704(11) 0.059(3) Uani 0.509(7) 1 d PD A 2
H18A H 0.8180 0.5750 1.0134 0.088 Uiso 0.509(7) 1 calc PR A 2
H18B H 0.9090 0.5633 0.9929 0.088 Uiso 0.509(7) 1 calc PR A 2
H18C H 0.8549 0.4879 1.0085 0.088 Uiso 0.509(7) 1 calc PR A 2
C18 C 0.8962(5) 0.5640(4) 0.8811(8) 0.062(4) Uani 0.491(7) 1 d PD A 1
H18D H 0.9343 0.5248 0.9501 0.093 Uiso 0.491(7) 1 calc PR A 1
H18E H 0.9045 0.6157 0.9277 0.093 Uiso 0.491(7) 1 calc PR A 1
H18F H 0.9136 0.5675 0.8020 0.093 Uiso 0.491(7) 1 calc PR A 1
C19 C 0.7691(5) 0.4676(4) 0.8134(8) 0.048(3) Uani 0.491(7) 1 d PRD A 1
H19A H 0.8193 0.4309 0.8631 0.072 Uiso 0.491(7) 1 d PR A 1
H19B H 0.7387 0.4533 0.7124 0.072 Uiso 0.491(7) 1 d PR A 1
H19C H 0.7256 0.4646 0.8552 0.072 Uiso 0.491(7) 1 d PR A 1
C19A C 0.8667(8) 0.4997(7) 0.7567(12) 0.087(5) Uani 0.509(7) 1 d PD A 2
H19D H 0.9045 0.4584 0.8210 0.131 Uiso 0.509(7) 1 calc PR A 2
H19E H 0.9056 0.5408 0.7464 0.131 Uiso 0.509(7) 1 calc PR A 2
H19F H 0.8292 0.4766 0.6633 0.131 Uiso 0.509(7) 1 calc PR A 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.0766(3) 0.0246(2) 0.0459(3) 0.0032(2) 0.0441(2) 0.0032(2)
B2 0.074(4) 0.019(2) 0.063(4) 0.007(3) 0.045(4) 0.000(3)
B3 0.068(5) 0.124(6) 0.030(4) -0.004(4) 0.030(3) -0.024(4)
B4 0.127(7) 0.045(4) 0.155(9) -0.065(5) 0.122(7) -0.052(4)
B5 0.207(11) 0.032(4) 0.244(13) 0.042(6) 0.207(11) 0.030(6)
B6 0.089(6) 0.141(8) 0.076(6) 0.079(6) 0.063(5) 0.068(6)
B7 0.067(5) 0.079(5) 0.055(4) -0.025(4) 0.038(4) -0.011(4)
C10 0.054(3) 0.043(3) 0.047(3) 0.000(2) 0.029(3) -0.011(3)
C11 0.056(3) 0.035(3) 0.044(3) -0.006(2) 0.032(3) 0.000(2)
C12 0.071(4) 0.061(4) 0.037(3) 0.010(3) 0.036(3) 0.021(3)
C13 0.106(5) 0.049(3) 0.090(5) 0.026(3) 0.087(4) 0.024(3)
C14 0.124(6) 0.029(3) 0.105(5) -0.007(3) 0.097(5) -0.016(3)
C15 0.094(4) 0.057(3) 0.056(4) -0.022(3) 0.053(3) -0.035(3)
C16 0.179(8) 0.103(5) 0.174(8) 0.107(6) 0.150(7) 0.085(5)
C17 0.047(4) 0.115(6) 0.080(5) 0.062(4) 0.012(4) -0.011(4)
C18A 0.083(8) 0.044(6) 0.067(8) 0.003(5) 0.049(7) 0.020(6)
C18 0.042(7) 0.054(7) 0.088(9) 0.030(7) 0.026(7) 0.023(5)
C19 0.089(8) 0.018(5) 0.050(7) 0.006(4) 0.042(6) 0.008(5)
C19A 0.128(11) 0.092(9) 0.076(8) 0.036(8) 0.077(8) 0.075(9)

_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 C14 2.189(5) . ?
Ru1 C15 2.202(6) . ?
Ru1 C12 2.216(4) . ?
Ru1 C11 2.226(4) . ?
Ru1 B4 2.232(7) . ?
Ru1 B7 2.241(6) . ?
Ru1 B3 2.251(7) . ?
Ru1 B6 2.251(7) . ?
Ru1 B2 2.255(6) . ?
Ru1 C13 2.255(5) . ?
Ru1 C10 2.265(5) . ?
Ru1 B5 2.265(6) . ?
B2 B2 1.680(11) 2_656 ?
B2 B3 1.690(9) . ?
B2 B7 1.706(10) . ?
B2 B7 1.725(9) 2_656 ?
B2 H2C 0.96(3) . ?
B3 B4 1.726(12) . ?
B3 B6 1.742(10) 2_656 ?
B3 B7 1.744(10) 2_656 ?
B3 H3C 1.02(4) . ?
B4 B5 1.626(15) . ?
B4 B5 1.714(12) 2_656 ?
B4 B6 1.720(12) 2_656 ?
B4 H4C 0.97(4) . ?
B5 B5 1.69(2) 2_656 ?
B5 B4 1.714(12) 2_656 ?
B5 B6 1.760(16) . ?
B5 H5C 1.05(4) . ?
B6 B4 1.720(12) 2_656 ?
B6 B3 1.742(10) 2_656 ?
B6 B7 1.754(11) . ?
B6 H6C 1.00(4) . ?
B7 B2 1.725(9) 2_656 ?
B7 B3 1.744(10) 2_656 ?
B7 H7C 1.01(4) . ?
C10 C11 1.421(6) . ?
C10 C15 1.424(6) . ?
C10 C17 1.505(7) . ?
C11 C12 1.401(6) . ?
C11 H11 0.9500 . ?
C12 C13 1.386(7) . ?
C12 H12 0.9500 . ?
C13 C14 1.395(8) . ?
C13 C16 1.509(7) . ?
C14 C15 1.405(8) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C19 1.301(8) . ?
C17 C18A 1.375(10) . ?
C17 C18 1.500(8) . ?
C17 C19A 1.698(10) . ?
C17 H17A 1.0000 . ?
C17 H17B 1.0000 . ?
C18A H18A 0.9800 . ?
C18A H18B 0.9800 . ?
C18A H18C 0.9800 . ?
C18 H18D 0.9800 . ?
C18 H18E 0.9800 . ?
C18 H18F 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9801 . ?
C19A H19D 0.9800 . ?
C19A H19E 0.9800 . ?
C19A H19F 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
C14 Ru1 C15 37.3(2) . . ?
C14 Ru1 C12 65.1(2) . . ?
C15 Ru1 C12 77.9(2) . . ?
C14 Ru1 C11 77.95(18) . . ?
C15 Ru1 C11 66.35(18) . . ?
C12 Ru1 C11 36.78(16) . . ?
C14 Ru1 B4 158.6(3) . . ?
C15 Ru1 B4 156.5(3) . . ?
C12 Ru1 B4 97.9(3) . . ?
C11 Ru1 B4 96.3(2) . . ?
C14 Ru1 B7 93.2(2) . . ?
C15 Ru1 B7 94.4(2) . . ?
C12 Ru1 B7 153.3(2) . . ?
C11 Ru1 B7 158.1(2) . . ?
B4 Ru1 B7 98.7(2) . . ?
C14 Ru1 B3 119.9(3) . . ?
C15 Ru1 B3 157.1(3) . . ?
C12 Ru1 B3 94.7(2) . . ?
C11 Ru1 B3 119.3(2) . . ?
B4 Ru1 B3 45.3(3) . . ?
B7 Ru1 B3 82.5(2) . . ?
C14 Ru1 B6 119.8(3) . . ?
C15 Ru1 B6 94.7(3) . . ?
C12 Ru1 B6 158.7(3) . . ?
C11 Ru1 B6 121.9(2) . . ?
B4 Ru1 B6 80.9(3) . . ?
B7 Ru1 B6 46.0(3) . . ?
B3 Ru1 B6 99.2(3) . . ?
C14 Ru1 B2 94.9(2) . . ?
C15 Ru1 B2 121.0(2) . . ?
C12 Ru1 B2 118.39(19) . . ?
C11 Ru1 B2 154.8(2) . . ?
B4 Ru1 B2 81.5(3) . . ?
B7 Ru1 B2 44.6(2) . . ?
B3 Ru1 B2 44.1(3) . . ?
B6 Ru1 B2 82.7(2) . . ?
C14 Ru1 C13 36.6(2) . . ?
C15 Ru1 C13 66.8(2) . . ?
C12 Ru1 C13 36.09(19) . . ?
C11 Ru1 C13 66.19(19) . . ?
B4 Ru1 C13 122.3(3) . . ?
B7 Ru1 C13 117.4(3) . . ?
B3 Ru1 C13 94.3(2) . . ?
B6 Ru1 C13 155.9(4) . . ?
B2 Ru1 C13 93.65(19) . . ?
C14 Ru1 C10 66.88(19) . . ?
C15 Ru1 C10 37.15(17) . . ?
C12 Ru1 C10 66.32(17) . . ?
C11 Ru1 C10 36.89(16) . . ?
B4 Ru1 C10 119.9(2) . . ?
B7 Ru1 C10 121.2(2) . . ?
B3 Ru1 C10 155.9(2) . . ?
B6 Ru1 C10 95.6(2) . . ?
B2 Ru1 C10 158.1(2) . . ?
C13 Ru1 C10 79.00(18) . . ?
C14 Ru1 B5 157.7(4) . . ?
C15 Ru1 B5 120.6(4) . . ?
C12 Ru1 B5 121.5(3) . . ?
C11 Ru1 B5 96.0(2) . . ?
B4 Ru1 B5 42.4(4) . . ?
B7 Ru1 B5 84.6(3) . . ?
B3 Ru1 B5 81.9(4) . . ?
B6 Ru1 B5 45.9(4) . . ?
B2 Ru1 B5 98.9(2) . . ?
C13 Ru1 B5 157.2(4) . . ?
C10 Ru1 B5 95.3(3) . . ?
B2 B2 B3 112.3(5) 2_656 . ?
B2 B2 B7 61.2(4) 2_656 . ?
B3 B2 B7 121.4(5) . . ?
B2 B2 B7 60.1(4) 2_656 2_656 ?
B3 B2 B7 61.4(4) . 2_656 ?
B7 B2 B7 114.0(4) . 2_656 ?
B2 B2 Ru1 117.2(3) 2_656 . ?
B3 B2 Ru1 67.8(3) . . ?
B7 B2 Ru1 67.3(3) . . ?
B7 B2 Ru1 118.9(4) 2_656 . ?
B2 B2 H2C 119(3) 2_656 . ?
B3 B2 H2C 116(3) . . ?
B7 B2 H2C 116(3) . . ?
B7 B2 H2C 117(3) 2_656 . ?
Ru1 B2 H2C 114(3) . . ?
B2 B3 B4 118.1(5) . . ?
B2 B3 B6 111.8(4) . 2_656 ?
B4 B3 B6 59.4(5) . 2_656 ?
B2 B3 B7 60.3(4) . 2_656 ?
B4 B3 B7 110.6(5) . 2_656 ?
B6 B3 B7 60.4(4) 2_656 2_656 ?
B2 B3 Ru1 68.1(3) . . ?
B4 B3 Ru1 66.8(4) . . ?
B6 B3 Ru1 117.3(5) 2_656 . ?
B7 B3 Ru1 118.2(4) 2_656 . ?
B2 B3 H3C 122(3) . . ?
B4 B3 H3C 113(3) . . ?
B6 B3 H3C 116(3) 2_656 . ?
B7 B3 H3C 122(3) 2_656 . ?
Ru1 B3 H3C 113(3) . . ?
B5 B4 B5 60.9(8) . 2_656 ?
B5 B4 B6 115.4(6) . 2_656 ?
B5 B4 B6 61.7(5) 2_656 2_656 ?
B5 B4 B3 124.0(5) . . ?
B5 B4 B3 113.9(5) 2_656 . ?
B6 B4 B3 60.7(5) 2_656 . ?
B5 B4 Ru1 69.9(4) . . ?
B5 B4 Ru1 119.6(7) 2_656 . ?
B6 B4 Ru1 119.3(4) 2_656 . ?
B3 B4 Ru1 67.9(3) . . ?
B5 B4 H4C 129(4) . . ?
B5 B4 H4C 124(3) 2_656 . ?
B6 B4 H4C 107(4) 2_656 . ?
B3 B4 H4C 101(4) . . ?
Ru1 B4 H4C 113(3) . . ?
B4 B5 B5 62.1(9) . 2_656 ?
B4 B5 B4 108.4(7) . 2_656 ?
B5 B5 B4 57.0(5) 2_656 2_656 ?
B4 B5 B6 118.4(5) . . ?
B5 B5 B6 110.0(6) 2_656 . ?
B4 B5 B6 59.3(6) 2_656 . ?
B4 B5 Ru1 67.7(3) . . ?
B5 B5 Ru1 118.8(7) 2_656 . ?
B4 B5 Ru1 114.3(5) 2_656 . ?
B6 B5 Ru1 66.7(3) . . ?
B4 B5 H5C 113(4) . . ?
B5 B5 H5C 113(3) 2_656 . ?
B4 B5 H5C 123(4) 2_656 . ?
B6 B5 H5C 124(4) . . ?
Ru1 B5 H5C 117(4) . . ?
B4 B6 B3 59.8(4) 2_656 2_656 ?
B4 B6 B7 110.4(5) 2_656 . ?
B3 B6 B7 59.8(4) 2_656 . ?
B4 B6 B5 59.0(6) 2_656 . ?
B3 B6 B5 110.8(6) 2_656 . ?
B7 B6 B5 119.4(6) . . ?
B4 B6 Ru1 114.7(6) 2_656 . ?
B3 B6 Ru1 115.4(4) 2_656 . ?
B7 B6 Ru1 66.7(3) . . ?
B5 B6 Ru1 67.5(4) . . ?
B4 B6 H6C 122(4) 2_656 . ?
B3 B6 H6C 119(4) 2_656 . ?
B7 B6 H6C 115(4) . . ?
B5 B6 H6C 119(4) . . ?
Ru1 B6 H6C 115(4) . . ?
B2 B7 B2 58.6(4) . 2_656 ?
B2 B7 B3 108.4(5) . 2_656 ?
B2 B7 B3 58.3(4) 2_656 2_656 ?
B2 B7 B6 118.6(5) . . ?
B2 B7 B6 109.5(5) 2_656 . ?
B3 B7 B6 59.7(4) 2_656 . ?
B2 B7 Ru1 68.1(3) . . ?
B2 B7 Ru1 115.9(4) 2_656 . ?
B3 B7 Ru1 115.8(4) 2_656 . ?
B6 B7 Ru1 67.3(3) . . ?
B2 B7 H7C 119(3) . . ?
B2 B7 H7C 118(3) 2_656 . ?
B3 B7 H7C 118(3) 2_656 . ?
B6 B7 H7C 119(3) . . ?
Ru1 B7 H7C 118(3) . . ?
C11 C10 C15 116.8(5) . . ?
C11 C10 C17 121.3(5) . . ?
C15 C10 C17 121.9(5) . . ?
C11 C10 Ru1 70.1(3) . . ?
C15 C10 Ru1 69.0(3) . . ?
C17 C10 Ru1 134.6(4) . . ?
C12 C11 C10 120.6(4) . . ?
C12 C11 Ru1 71.2(3) . . ?
C10 C11 Ru1 73.1(3) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
Ru1 C11 H11 128.2 . . ?
C13 C12 C11 122.8(5) . . ?
C13 C12 Ru1 73.5(3) . . ?
C11 C12 Ru1 72.0(3) . . ?
C13 C12 H12 118.6 . . ?
C11 C12 H12 118.6 . . ?
Ru1 C12 H12 128.3 . . ?
C12 C13 C14 116.9(5) . . ?
C12 C13 C16 121.9(7) . . ?
C14 C13 C16 121.2(6) . . ?
C12 C13 Ru1 70.4(3) . . ?
C14 C13 Ru1 69.1(3) . . ?
C16 C13 Ru1 129.2(4) . . ?
C13 C14 C15 122.4(5) . . ?
C13 C14 Ru1 74.3(3) . . ?
C15 C14 Ru1 71.8(3) . . ?
C13 C14 H14 118.8 . . ?
C15 C14 H14 118.8 . . ?
Ru1 C14 H14 127.2 . . ?
C14 C15 C10 120.5(5) . . ?
C14 C15 Ru1 70.9(3) . . ?
C10 C15 Ru1 73.8(3) . . ?
C14 C15 H15 119.8 . . ?
C10 C15 H15 119.8 . . ?
Ru1 C15 H15 127.6 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C19 C17 C18A 98.4(7) . . ?
C19 C17 C18 125.5(6) . . ?
C19 C17 C10 122.5(6) . . ?
C18A C17 C10 129.0(7) . . ?
C18 C17 C10 106.4(4) . . ?
C19 C17 C19A 82.3(7) . . ?
C18A C17 C19A 106.3(7) . . ?
C10 C17 C19A 108.1(6) . . ?
C19 C17 H17A 97.8 . . ?
C18 C17 H17A 97.8 . . ?
C10 C17 H17A 97.8 . . ?
C18A C17 H17B 103.6 . . ?
C10 C17 H17B 103.6 . . ?
C19A C17 H17B 103.6 . . ?
C17 C18A H18A 109.5 . . ?
C17 C18A H18B 109.5 . . ?
H18A C18A H18B 109.5 . . ?
C17 C18A H18C 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
C17 C18 H18D 109.5 . . ?
C17 C18 H18E 109.5 . . ?
H18D C18 H18E 109.5 . . ?
C17 C18 H18F 109.5 . . ?
H18D C18 H18F 109.5 . . ?
H18E C18 H18F 109.5 . . ?
C17 C19 H19A 110.8 . . ?
C17 C19 H19B 109.3 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 108.3 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C19A H19D 109.5 . . ?
C17 C19A H19E 109.5 . . ?
H19D C19A H19E 109.5 . . ?
C17 C19A H19F 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.529
_refine_diff_density_min         -0.621
_refine_diff_density_rms         0.105

#===end

data_4(x80383)
_database_code_depnum_ccdc_archive 'CCDC 260454'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H50 B10 Ni P2 Ru'
_chemical_formula_sum            'C38 H50 B10 Ni P2 Ru'
_chemical_formula_weight         836.60

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ni Ni 0.3393 1.1124 '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'
B B 0.0013 0.0007 '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                   12.7337(9)
_cell_length_b                   17.0657(12)
_cell_length_c                   17.4612(12)
_cell_angle_alpha                90.00
_cell_angle_beta                 92.338(4)
_cell_angle_gamma                90.00
_cell_volume                     3791.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    5557
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      23.18

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.466
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1720
_exptl_absorpt_coefficient_mu    1.009
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8392
_exptl_absorpt_correction_T_max  0.9236
_exptl_absorpt_process_details   'Bruker SADABS'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      100(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            85924
_diffrn_reflns_av_R_equivalents  0.0626
_diffrn_reflns_av_sigmaI/netI    0.0394
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.28
_diffrn_reflns_theta_max         24.60
_reflns_number_total             6348
_reflns_number_gt                4461
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0736P)^2^+0.0267P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6348
_refine_ls_number_parameters     527
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0414
_refine_ls_wR_factor_ref         0.1175
_refine_ls_wR_factor_gt          0.1048
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_restrained_S_all      1.079
_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 0.75182(2) -0.001602(16) 0.034326(16) 0.02268(13) Uani 1 1 d . . .
C2 C 0.7407(3) 0.0866(2) -0.0620(2) 0.0346(10) Uani 1 1 d D . .
H2C H 0.729(3) 0.0606(19) -0.1238(13) 0.042 Uiso 1 1 d D . .
B3 B 0.8651(3) 0.0852(2) -0.0177(2) 0.0246(10) Uani 1 1 d D . .
H3C H 0.931(2) 0.0594(17) -0.0495(17) 0.029 Uiso 1 1 d D . .
B4 B 0.8753(3) 0.0809(2) 0.0834(2) 0.0262(10) Uani 1 1 d D . .
H4C H 0.9480(19) 0.0584(18) 0.1137(17) 0.031 Uiso 1 1 d D . .
B5 B 0.7633(3) 0.0783(2) 0.1376(2) 0.0253(10) Uani 1 1 d D . .
H5C H 0.777(3) 0.0526(18) 0.1939(13) 0.030 Uiso 1 1 d D . .
B6 B 0.6393(3) 0.0831(3) 0.0904(3) 0.0273(10) Uani 1 1 d D . .
H6C H 0.571(2) 0.0569(18) 0.1164(17) 0.033 Uiso 1 1 d D . .
B7 B 0.6315(3) 0.0861(2) -0.0097(2) 0.0220(9) Uani 1 1 d D . .
H7C H 0.5648(19) 0.0619(17) -0.0387(16) 0.026 Uiso 1 1 d D . .
B8 B 0.8082(3) 0.1746(2) -0.0540(2) 0.0251(10) Uani 1 1 d D . .
H8C H 0.845(2) 0.1988(18) -0.1061(14) 0.030 Uiso 1 1 d D . .
B9 B 0.8841(3) 0.1728(2) 0.0347(2) 0.0231(10) Uani 1 1 d D . .
H9C H 0.9643(17) 0.1980(18) 0.0388(18) 0.028 Uiso 1 1 d D . .
C10 C 0.8278(3) 0.1643(2) 0.1221(2) 0.0316(9) Uani 1 1 d D . .
H10C H 0.881(2) 0.1889(19) 0.1700(16) 0.038 Uiso 1 1 d D . .
B11 B 0.6983(3) 0.1696(3) 0.1274(2) 0.0261(10) Uani 1 1 d D . .
H11C H 0.671(2) 0.1929(18) 0.1799(13) 0.031 Uiso 1 1 d D . .
B12 B 0.6195(3) 0.1732(2) 0.0408(2) 0.0250(10) Uani 1 1 d D . .
H12C H 0.5408(17) 0.1968(18) 0.0417(18) 0.030 Uiso 1 1 d D . .
B13 B 0.6740(3) 0.1728(2) -0.0500(2) 0.0254(10) Uani 1 1 d D . .
H13C H 0.624(2) 0.1934(18) -0.0961(15) 0.030 Uiso 1 1 d D . .
Ni14 Ni 0.75079(3) 0.25167(3) 0.03613(2) 0.02341(15) Uani 1 1 d . . .
P1 P 0.63112(8) 0.34518(6) 0.03842(5) 0.0256(2) Uani 1 1 d . . .
P2 P 0.87221(7) 0.34368(6) 0.03139(5) 0.0246(2) Uani 1 1 d . . .
C10L C 0.7524(3) -0.1000(2) -0.0528(2) 0.0314(9) Uani 1 1 d . A .
C11 C 0.8470(3) -0.1012(2) -0.0061(2) 0.0303(9) Uani 1 1 d . . .
H11 H 0.9126 -0.0992 -0.0300 0.036 Uiso 1 1 calc R . .
C12 C 0.8456(3) -0.1052(2) 0.0733(2) 0.0304(9) Uani 1 1 d . . .
H12 H 0.9102 -0.1058 0.1025 0.037 Uiso 1 1 calc R . .
C13 C 0.7502(3) -0.1083(2) 0.1114(2) 0.0336(10) Uani 1 1 d . . .
C14 C 0.6556(3) -0.1048(2) 0.0654(2) 0.0328(10) Uani 1 1 d . . .
H14 H 0.5901 -0.1050 0.0896 0.039 Uiso 1 1 calc R . .
C15 C 0.6563(3) -0.1010(2) -0.0142(2) 0.0338(10) Uani 1 1 d . . .
H15 H 0.5916 -0.0991 -0.0432 0.041 Uiso 1 1 calc R . .
C16 C 0.7493(4) -0.1149(3) 0.1977(2) 0.0496(12) Uani 1 1 d . . .
H16A H 0.7464 -0.1703 0.2123 0.074 Uiso 1 1 calc R . .
H16B H 0.6876 -0.0875 0.2163 0.074 Uiso 1 1 calc R . .
H16C H 0.8133 -0.0911 0.2204 0.074 Uiso 1 1 calc R . .
C17 C 0.7535(5) -0.1000(3) -0.1392(3) 0.0714(18) Uani 1 1 d D . .
H17A H 0.8030 -0.0559 -0.1486 0.086 Uiso 0.575(6) 1 calc PR A 1
H17B H 0.7064 -0.0550 -0.1536 0.086 Uiso 0.425(6) 1 calc PR A 2
C18 C 0.6674(6) -0.0784(4) -0.1844(4) 0.046(2) Uani 0.575(6) 1 d PD A 1
H18A H 0.6176 -0.1221 -0.1883 0.069 Uiso 0.575(6) 1 calc PR A 1
H18B H 0.6900 -0.0646 -0.2357 0.069 Uiso 0.575(6) 1 calc PR A 1
H18C H 0.6334 -0.0330 -0.1616 0.069 Uiso 0.575(6) 1 calc PR A 1
C19 C 0.8190(6) -0.1723(4) -0.1657(4) 0.055(3) Uani 0.575(6) 1 d PD A 1
H19A H 0.8206 -0.1727 -0.2218 0.082 Uiso 0.575(6) 1 calc PR A 1
H19B H 0.7863 -0.2208 -0.1481 0.082 Uiso 0.575(6) 1 calc PR A 1
H19C H 0.8909 -0.1687 -0.1438 0.082 Uiso 0.575(6) 1 calc PR A 1
C18A C 0.8333(7) -0.0893(6) -0.1817(5) 0.040(3) Uani 0.425(6) 1 d PD A 2
H18D H 0.8104 -0.0931 -0.2358 0.061 Uiso 0.425(6) 1 calc PR A 2
H18E H 0.8866 -0.1294 -0.1698 0.061 Uiso 0.425(6) 1 calc PR A 2
H18F H 0.8634 -0.0373 -0.1715 0.061 Uiso 0.425(6) 1 calc PR A 2
C19A C 0.6789(8) -0.1796(5) -0.1651(6) 0.054(3) Uani 0.425(6) 1 d PD A 2
H19D H 0.6099 -0.1754 -0.1426 0.081 Uiso 0.425(6) 1 calc PR A 2
H19E H 0.7140 -0.2274 -0.1465 0.081 Uiso 0.425(6) 1 calc PR A 2
H19F H 0.6700 -0.1816 -0.2211 0.081 Uiso 0.425(6) 1 calc PR A 2
C101 C 0.6972(3) 0.4362(2) 0.0112(2) 0.0284(9) Uani 1 1 d . . .
H11Z H 0.7041 0.4381 -0.0451 0.034 Uiso 1 1 calc R . .
H10D H 0.6558 0.4822 0.0268 0.034 Uiso 1 1 calc R . .
C102 C 0.8072(3) 0.4374(2) 0.0522(2) 0.0288(9) Uani 1 1 d . . .
H10A H 0.8005 0.4436 0.1082 0.035 Uiso 1 1 calc R . .
H10B H 0.8491 0.4817 0.0333 0.035 Uiso 1 1 calc R . .
C111 C 0.5222(3) 0.3416(2) -0.0340(2) 0.0255(9) Uani 1 1 d . . .
C112 C 0.5459(3) 0.3390(2) -0.1114(2) 0.0309(9) Uani 1 1 d . . .
H112 H 0.6172 0.3383 -0.1253 0.037 Uiso 1 1 calc R . .
C113 C 0.4664(3) 0.3375(2) -0.1685(2) 0.0344(10) Uani 1 1 d . . .
H113 H 0.4839 0.3364 -0.2209 0.041 Uiso 1 1 calc R . .
C114 C 0.3624(3) 0.3375(2) -0.1493(2) 0.0361(10) Uani 1 1 d . . .
H114 H 0.3079 0.3363 -0.1881 0.043 Uiso 1 1 calc R . .
C115 C 0.3384(3) 0.3392(2) -0.0718(2) 0.0397(11) Uani 1 1 d . . .
H115 H 0.2670 0.3391 -0.0580 0.048 Uiso 1 1 calc R . .
C116 C 0.4160(3) 0.3412(2) -0.0160(2) 0.0345(10) Uani 1 1 d . . .
H116 H 0.3978 0.3422 0.0363 0.041 Uiso 1 1 calc R . .
C121 C 0.5623(3) 0.3708(2) 0.1262(2) 0.0299(9) Uani 1 1 d . . .
C122 C 0.5526(4) 0.4467(3) 0.1507(2) 0.0516(13) Uani 1 1 d . . .
H122 H 0.5847 0.4880 0.1236 0.062 Uiso 1 1 calc R . .
C123 C 0.4954(4) 0.4635(3) 0.2159(3) 0.0622(15) Uani 1 1 d . . .
H123 H 0.4905 0.5162 0.2329 0.075 Uiso 1 1 calc R . .
C124 C 0.4468(3) 0.4056(3) 0.2552(2) 0.0425(11) Uani 1 1 d . . .
H124 H 0.4072 0.4177 0.2987 0.051 Uiso 1 1 calc R . .
C125 C 0.4562(3) 0.3310(3) 0.2312(2) 0.0427(11) Uani 1 1 d . . .
H125 H 0.4226 0.2903 0.2581 0.051 Uiso 1 1 calc R . .
C126 C 0.5141(3) 0.3122(3) 0.1677(2) 0.0419(11) Uani 1 1 d . . .
H126 H 0.5208 0.2590 0.1526 0.050 Uiso 1 1 calc R . .
C211 C 0.9818(3) 0.3457(2) 0.1034(2) 0.0271(9) Uani 1 1 d . . .
C212 C 0.9571(3) 0.3335(2) 0.1797(2) 0.0330(10) Uani 1 1 d . . .
H212 H 0.8869 0.3210 0.1918 0.040 Uiso 1 1 calc R . .
C213 C 1.0342(3) 0.3394(2) 0.2381(2) 0.0387(10) Uani 1 1 d . . .
H213 H 1.0162 0.3315 0.2898 0.046 Uiso 1 1 calc R . .
C214 C 1.1375(4) 0.3568(2) 0.2213(2) 0.0435(11) Uani 1 1 d . . .
H214 H 1.1904 0.3599 0.2611 0.052 Uiso 1 1 calc R . .
C215 C 1.1618(3) 0.3694(2) 0.1462(3) 0.0422(11) Uani 1 1 d . . .
H215 H 1.2321 0.3820 0.1346 0.051 Uiso 1 1 calc R . .
C216 C 1.0853(3) 0.3642(2) 0.0868(2) 0.0329(10) Uani 1 1 d . . .
H216 H 1.1036 0.3731 0.0353 0.039 Uiso 1 1 calc R . .
C221 C 0.9384(3) 0.3615(2) -0.0590(2) 0.0261(9) Uani 1 1 d . . .
C222 C 0.9243(3) 0.4303(2) -0.0993(2) 0.0420(11) Uani 1 1 d . . .
H222 H 0.8762 0.4685 -0.0821 0.050 Uiso 1 1 calc R . .
C223 C 0.9802(4) 0.4447(3) -0.1654(3) 0.0546(13) Uani 1 1 d . . .
H223 H 0.9697 0.4925 -0.1924 0.066 Uiso 1 1 calc R . .
C224 C 1.0493(3) 0.3908(2) -0.1913(2) 0.0420(11) Uani 1 1 d . . .
H224 H 1.0878 0.4011 -0.2357 0.050 Uiso 1 1 calc R . .
C225 C 1.0627(3) 0.3210(2) -0.1522(2) 0.0301(9) Uani 1 1 d . . .
H225 H 1.1098 0.2827 -0.1702 0.036 Uiso 1 1 calc R . .
C226 C 1.0081(3) 0.3065(2) -0.0871(2) 0.0291(9) Uani 1 1 d . . .
H226 H 1.0182 0.2581 -0.0609 0.035 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.01173(19) 0.0288(2) 0.0279(2) 0.00318(14) 0.00536(13) 0.00155(13)
C2 0.028(2) 0.037(2) 0.039(2) 0.0045(19) 0.0048(19) 0.0017(18)
B3 0.015(2) 0.029(2) 0.030(2) 0.0029(19) 0.0067(19) -0.0013(19)
B4 0.016(2) 0.033(3) 0.029(2) 0.0011(19) 0.0029(19) 0.0001(19)
B5 0.018(2) 0.035(3) 0.024(2) -0.0009(19) 0.0036(19) -0.0033(19)
B6 0.015(2) 0.035(3) 0.033(3) -0.002(2) 0.011(2) 0.0015(19)
B7 0.010(2) 0.026(2) 0.030(2) 0.0000(19) 0.0011(18) 0.0019(18)
B8 0.021(3) 0.031(2) 0.024(2) 0.0008(18) 0.004(2) 0.0053(19)
B9 0.014(2) 0.029(2) 0.027(2) 0.0025(18) 0.0049(19) 0.0037(18)
C10 0.028(2) 0.042(2) 0.025(2) 0.0025(18) 0.0044(18) 0.0012(19)
B11 0.019(2) 0.039(3) 0.021(2) 0.0036(19) 0.0081(19) 0.001(2)
B12 0.009(2) 0.033(2) 0.034(3) 0.002(2) 0.0049(19) 0.0005(18)
B13 0.021(3) 0.030(2) 0.026(2) 0.0011(19) 0.000(2) 0.0010(19)
Ni14 0.0157(3) 0.0303(3) 0.0245(3) -0.0005(2) 0.0050(2) 0.0014(2)
P1 0.0198(6) 0.0347(6) 0.0224(5) -0.0004(4) 0.0038(4) 0.0046(4)
P2 0.0188(6) 0.0303(5) 0.0249(6) -0.0022(4) 0.0050(4) -0.0002(4)
C10L 0.032(3) 0.027(2) 0.036(2) -0.0018(18) 0.003(2) 0.0037(18)
C11 0.020(2) 0.027(2) 0.044(3) 0.0025(18) 0.0137(19) 0.0084(17)
C12 0.021(2) 0.031(2) 0.039(2) 0.0125(18) 0.0042(18) 0.0068(17)
C13 0.026(2) 0.032(2) 0.044(3) 0.0145(19) 0.011(2) 0.0009(18)
C14 0.017(2) 0.027(2) 0.056(3) 0.0100(19) 0.010(2) -0.0050(17)
C15 0.023(2) 0.026(2) 0.051(3) 0.0028(19) -0.006(2) -0.0021(17)
C16 0.048(3) 0.063(3) 0.039(3) 0.018(2) 0.013(2) 0.001(2)
C17 0.142(6) 0.033(3) 0.039(3) -0.001(2) -0.003(4) 0.025(3)
C18 0.037(5) 0.052(5) 0.048(5) 0.002(4) -0.003(4) 0.001(4)
C19 0.047(6) 0.067(6) 0.050(5) -0.009(4) -0.004(4) 0.013(5)
C18A 0.027(6) 0.062(7) 0.032(6) 0.002(5) 0.000(5) -0.007(5)
C19A 0.056(8) 0.043(7) 0.063(8) -0.013(6) 0.002(6) -0.008(6)
C101 0.032(2) 0.031(2) 0.023(2) -0.0012(16) 0.0055(18) 0.0043(18)
C102 0.027(2) 0.033(2) 0.026(2) -0.0030(17) 0.0029(18) 0.0014(18)
C111 0.021(2) 0.029(2) 0.026(2) 0.0021(17) -0.0009(17) 0.0060(17)
C112 0.025(2) 0.037(2) 0.032(2) -0.0006(18) 0.0078(19) 0.0008(18)
C113 0.034(3) 0.046(3) 0.023(2) -0.0028(18) -0.0004(19) 0.000(2)
C114 0.029(3) 0.047(3) 0.032(2) -0.0015(19) -0.006(2) 0.000(2)
C115 0.024(2) 0.053(3) 0.043(3) 0.000(2) 0.008(2) 0.006(2)
C116 0.029(2) 0.049(3) 0.027(2) -0.0009(19) 0.0040(19) 0.000(2)
C121 0.021(2) 0.046(3) 0.023(2) -0.0013(18) 0.0000(17) 0.0059(18)
C122 0.065(3) 0.049(3) 0.044(3) -0.010(2) 0.030(2) -0.006(2)
C123 0.078(4) 0.056(3) 0.054(3) -0.019(3) 0.031(3) -0.002(3)
C124 0.035(3) 0.067(3) 0.026(2) -0.003(2) 0.0108(19) 0.008(2)
C125 0.038(3) 0.057(3) 0.035(2) 0.011(2) 0.014(2) 0.022(2)
C126 0.043(3) 0.049(3) 0.035(2) 0.005(2) 0.014(2) 0.020(2)
C211 0.021(2) 0.029(2) 0.031(2) -0.0022(17) 0.0004(17) 0.0009(17)
C212 0.029(2) 0.040(2) 0.030(2) -0.0012(18) 0.0067(19) -0.0006(19)
C213 0.043(3) 0.045(3) 0.028(2) 0.0004(19) 0.002(2) 0.002(2)
C214 0.040(3) 0.054(3) 0.035(3) -0.005(2) -0.007(2) 0.007(2)
C215 0.024(2) 0.051(3) 0.051(3) -0.008(2) -0.004(2) -0.001(2)
C216 0.023(2) 0.042(2) 0.034(2) -0.0073(18) 0.0056(19) 0.0016(18)
C221 0.023(2) 0.031(2) 0.025(2) -0.0050(17) 0.0046(17) -0.0046(17)
C222 0.040(3) 0.044(3) 0.043(3) 0.008(2) 0.017(2) 0.007(2)
C223 0.062(3) 0.050(3) 0.054(3) 0.017(2) 0.030(3) 0.011(2)
C224 0.039(3) 0.054(3) 0.034(2) 0.005(2) 0.019(2) 0.002(2)
C225 0.023(2) 0.036(2) 0.032(2) -0.0064(18) 0.0073(18) -0.0027(18)
C226 0.025(2) 0.033(2) 0.030(2) -0.0021(17) 0.0046(18) -0.0038(17)

_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 C11 2.220(3) . ?
Ru1 C12 2.224(4) . ?
Ru1 C14 2.225(4) . ?
Ru1 C15 2.234(4) . ?
Ru1 B4 2.253(4) . ?
Ru1 B7 2.254(4) . ?
Ru1 C2 2.257(4) . ?
Ru1 B5 2.261(4) . ?
Ru1 C13 2.265(4) . ?
Ru1 C10L 2.267(4) . ?
Ru1 B3 2.281(4) . ?
Ru1 B6 2.283(4) . ?
C2 B7 1.695(5) . ?
C2 B13 1.717(6) . ?
C2 B8 1.733(6) . ?
C2 B3 1.733(6) . ?
C2 H2C 1.170(18) . ?
B3 B4 1.765(6) . ?
B3 B9 1.766(6) . ?
B3 B8 1.795(6) . ?
B3 H3C 1.115(18) . ?
B4 C10 1.698(6) . ?
B4 B5 1.745(6) . ?
B4 B9 1.791(6) . ?
B4 H4C 1.115(18) . ?
B5 C10 1.708(6) . ?
B5 B6 1.752(6) . ?
B5 B11 1.769(6) . ?
B5 H5C 1.086(18) . ?
B6 B7 1.746(6) . ?
B6 B11 1.768(6) . ?
B6 B12 1.777(6) . ?
B6 H6C 1.090(18) . ?
B7 B13 1.735(6) . ?
B7 B12 1.738(6) . ?
B7 H7C 1.056(18) . ?
B8 B13 1.713(6) . ?
B8 B9 1.793(6) . ?
B8 Ni14 2.198(4) . ?
B8 H8C 1.118(18) . ?
B9 C10 1.719(5) . ?
B9 Ni14 2.167(4) . ?
B9 H9C 1.107(18) . ?
C10 B11 1.657(5) . ?
C10 Ni14 2.306(4) . ?
C10 H10C 1.133(18) . ?
B11 B12 1.781(6) . ?
B11 Ni14 2.244(4) . ?
B11 H11C 1.071(18) . ?
B12 B13 1.757(6) . ?
B12 Ni14 2.147(4) . ?
B12 H12C 1.080(18) . ?
B13 Ni14 2.215(4) . ?
B13 H13C 1.063(18) . ?
Ni14 P2 2.2075(10) . ?
Ni14 P1 2.2080(10) . ?
P1 C101 1.838(4) . ?
P1 C111 1.839(4) . ?
P1 C121 1.850(4) . ?
P2 C211 1.841(4) . ?
P2 C102 1.843(4) . ?
P2 C221 1.844(4) . ?
C10L C15 1.421(5) . ?
C10L C11 1.426(5) . ?
C10L C17 1.509(6) . ?
C11 C12 1.389(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.410(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.421(5) . ?
C13 C16 1.511(6) . ?
C14 C15 1.392(5) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18A 1.296(9) . ?
C17 C18 1.375(8) . ?
C17 C19 1.570(7) . ?
C17 C19A 1.708(10) . ?
C17 H17A 1.0000 . ?
C17 H17B 1.0000 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C18A H18D 0.9800 . ?
C18A H18E 0.9800 . ?
C18A H18F 0.9800 . ?
C19A H19D 0.9800 . ?
C19A H19E 0.9800 . ?
C19A H19F 0.9800 . ?
C101 C102 1.548(5) . ?
C101 H11Z 0.9900 . ?
C101 H10D 0.9900 . ?
C102 H10A 0.9900 . ?
C102 H10B 0.9900 . ?
C111 C112 1.398(5) . ?
C111 C116 1.402(5) . ?
C112 C113 1.391(5) . ?
C112 H112 0.9500 . ?
C113 C114 1.380(5) . ?
C113 H113 0.9500 . ?
C114 C115 1.399(5) . ?
C114 H114 0.9500 . ?
C115 C116 1.360(5) . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C121 C122 1.371(5) . ?
C121 C126 1.393(5) . ?
C122 C123 1.405(6) . ?
C122 H122 0.9500 . ?
C123 C124 1.367(6) . ?
C123 H123 0.9500 . ?
C124 C125 1.348(6) . ?
C124 H124 0.9500 . ?
C125 C126 1.394(5) . ?
C125 H125 0.9500 . ?
C126 H126 0.9500 . ?
C211 C212 1.397(5) . ?
C211 C216 1.398(5) . ?
C212 C213 1.390(5) . ?
C212 H212 0.9500 . ?
C213 C214 1.391(6) . ?
C213 H213 0.9500 . ?
C214 C215 1.377(6) . ?
C214 H214 0.9500 . ?
C215 C216 1.397(6) . ?
C215 H215 0.9500 . ?
C216 H216 0.9500 . ?
C221 C222 1.378(5) . ?
C221 C226 1.395(5) . ?
C222 C223 1.402(5) . ?
C222 H222 0.9500 . ?
C223 C224 1.364(6) . ?
C223 H223 0.9500 . ?
C224 C225 1.379(5) . ?
C224 H224 0.9500 . ?
C225 C226 1.378(5) . ?
C225 H225 0.9500 . ?
C226 H226 0.9500 . ?

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
C11 Ru1 C12 36.44(14) . . ?
C11 Ru1 C14 77.57(15) . . ?
C12 Ru1 C14 65.83(14) . . ?
C11 Ru1 C15 66.01(14) . . ?
C12 Ru1 C15 77.85(15) . . ?
C14 Ru1 C15 36.37(14) . . ?
C11 Ru1 B4 102.57(15) . . ?
C12 Ru1 B4 91.28(15) . . ?
C14 Ru1 B4 141.66(15) . . ?
C15 Ru1 B4 168.26(15) . . ?
C11 Ru1 B7 140.55(15) . . ?
C12 Ru1 B7 168.76(15) . . ?
C14 Ru1 B7 103.60(14) . . ?
C15 Ru1 B7 91.32(15) . . ?
B4 Ru1 B7 99.73(16) . . ?
C11 Ru1 C2 106.97(14) . . ?
C12 Ru1 C2 140.75(14) . . ?
C14 Ru1 C2 133.72(15) . . ?
C15 Ru1 C2 101.97(15) . . ?
B4 Ru1 C2 83.57(15) . . ?
B7 Ru1 C2 44.14(14) . . ?
C11 Ru1 B5 134.24(15) . . ?
C12 Ru1 B5 102.66(15) . . ?
C14 Ru1 B5 107.53(15) . . ?
C15 Ru1 B5 140.99(15) . . ?
B4 Ru1 B5 45.48(14) . . ?
B7 Ru1 B5 83.80(16) . . ?
C2 Ru1 B5 101.06(16) . . ?
C11 Ru1 C13 65.92(14) . . ?
C12 Ru1 C13 36.60(13) . . ?
C14 Ru1 C13 36.90(14) . . ?
C15 Ru1 C13 66.21(15) . . ?
B4 Ru1 C13 107.43(16) . . ?
B7 Ru1 C13 135.53(14) . . ?
C2 Ru1 C13 167.71(15) . . ?
B5 Ru1 C13 90.74(15) . . ?
C11 Ru1 C10L 37.05(13) . . ?
C12 Ru1 C10L 66.42(14) . . ?
C14 Ru1 C10L 66.06(15) . . ?
C15 Ru1 C10L 36.81(13) . . ?
B4 Ru1 C10L 134.15(15) . . ?
B7 Ru1 C10L 106.51(15) . . ?
C2 Ru1 C10L 89.76(16) . . ?
B5 Ru1 C10L 168.69(15) . . ?
C13 Ru1 C10L 78.67(15) . . ?
C11 Ru1 B3 90.48(15) . . ?
C12 Ru1 B3 107.31(14) . . ?
C14 Ru1 B3 166.95(15) . . ?
C15 Ru1 B3 133.25(15) . . ?
B4 Ru1 B3 45.82(16) . . ?
B7 Ru1 B3 82.26(15) . . ?
C2 Ru1 B3 44.91(14) . . ?
B5 Ru1 B3 84.52(15) . . ?
C13 Ru1 B3 141.24(15) . . ?
C10L Ru1 B3 101.21(15) . . ?
C11 Ru1 B6 168.92(15) . . ?
C12 Ru1 B6 135.26(15) . . ?
C14 Ru1 B6 92.00(15) . . ?
C15 Ru1 B6 107.57(15) . . ?
B4 Ru1 B6 83.24(15) . . ?
B7 Ru1 B6 45.27(15) . . ?
C2 Ru1 B6 82.88(15) . . ?
B5 Ru1 B6 45.37(15) . . ?
C13 Ru1 B6 103.47(15) . . ?
C10L Ru1 B6 140.91(15) . . ?
B3 Ru1 B6 100.23(16) . . ?
B7 C2 B13 61.1(2) . . ?
B7 C2 B8 112.1(3) . . ?
B13 C2 B8 59.5(2) . . ?
B7 C2 B3 120.9(3) . . ?
B13 C2 B3 113.9(3) . . ?
B8 C2 B3 62.4(2) . . ?
B7 C2 Ru1 67.82(19) . . ?
B13 C2 Ru1 119.8(3) . . ?
B8 C2 Ru1 120.2(3) . . ?
B3 C2 Ru1 68.27(19) . . ?
B7 C2 H2C 115.0(18) . . ?
B13 C2 H2C 113.2(18) . . ?
B8 C2 H2C 116.4(17) . . ?
B3 C2 H2C 118.8(18) . . ?
Ru1 C2 H2C 115.9(17) . . ?
C2 B3 B4 118.4(3) . . ?
C2 B3 B9 108.9(3) . . ?
B4 B3 B9 60.9(2) . . ?
C2 B3 B8 58.8(2) . . ?
B4 B3 B8 113.6(3) . . ?
B9 B3 B8 60.5(2) . . ?
C2 B3 Ru1 66.81(19) . . ?
B4 B3 Ru1 66.26(19) . . ?
B9 B3 Ru1 114.8(2) . . ?
B8 B3 Ru1 116.1(2) . . ?
C2 B3 H3C 118.3(17) . . ?
B4 B3 H3C 117.1(17) . . ?
B9 B3 H3C 120.1(17) . . ?
B8 B3 H3C 117.4(16) . . ?
Ru1 B3 H3C 116.3(16) . . ?
C10 B4 B5 59.5(2) . . ?
C10 B4 B3 110.5(3) . . ?
B5 B4 B3 121.0(3) . . ?
C10 B4 B9 59.0(2) . . ?
B5 B4 B9 110.3(3) . . ?
B3 B4 B9 59.5(2) . . ?
C10 B4 Ru1 114.9(3) . . ?
B5 B4 Ru1 67.5(2) . . ?
B3 B4 Ru1 67.9(2) . . ?
B9 B4 Ru1 115.1(3) . . ?
C10 B4 H4C 113.6(17) . . ?
B5 B4 H4C 114.5(17) . . ?
B3 B4 H4C 121.0(17) . . ?
B9 B4 H4C 117.4(17) . . ?
Ru1 B4 H4C 121.3(17) . . ?
C10 B5 B4 58.9(2) . . ?
C10 B5 B6 108.4(3) . . ?
B4 B5 B6 119.0(3) . . ?
C10 B5 B11 56.9(2) . . ?
B4 B5 B11 108.2(3) . . ?
B6 B5 B11 60.3(2) . . ?
C10 B5 Ru1 114.1(2) . . ?
B4 B5 Ru1 67.0(2) . . ?
B6 B5 Ru1 68.0(2) . . ?
B11 B5 Ru1 115.9(3) . . ?
C10 B5 H5C 115.4(18) . . ?
B4 B5 H5C 113.2(18) . . ?
B6 B5 H5C 123.8(18) . . ?
B11 B5 H5C 120.4(18) . . ?
Ru1 B5 H5C 118.8(18) . . ?
B7 B6 B5 119.0(3) . . ?
B7 B6 B11 110.3(3) . . ?
B5 B6 B11 60.3(2) . . ?
B7 B6 B12 59.1(2) . . ?
B5 B6 B12 112.1(3) . . ?
B11 B6 B12 60.3(2) . . ?
B7 B6 Ru1 66.48(19) . . ?
B5 B6 Ru1 66.65(19) . . ?
B11 B6 Ru1 114.9(2) . . ?
B12 B6 Ru1 114.7(2) . . ?
B7 B6 H6C 114.5(17) . . ?
B5 B6 H6C 120.0(17) . . ?
B11 B6 H6C 121.5(18) . . ?
B12 B6 H6C 117.3(18) . . ?
Ru1 B6 H6C 116.2(18) . . ?
C2 B7 B13 60.1(2) . . ?
C2 B7 B12 111.1(3) . . ?
B13 B7 B12 60.8(2) . . ?
C2 B7 B6 121.7(3) . . ?
B13 B7 B6 115.1(3) . . ?
B12 B7 B6 61.3(2) . . ?
C2 B7 Ru1 68.03(19) . . ?
B13 B7 Ru1 119.1(2) . . ?
B12 B7 Ru1 117.9(3) . . ?
B6 B7 Ru1 68.3(2) . . ?
C2 B7 H7C 113.9(17) . . ?
B13 B7 H7C 113.4(18) . . ?
B12 B7 H7C 119.5(17) . . ?
B6 B7 H7C 118.7(17) . . ?
Ru1 B7 H7C 115.3(18) . . ?
B13 B8 C2 59.7(2) . . ?
B13 B8 B9 117.9(3) . . ?
C2 B8 B9 107.6(3) . . ?
B13 B8 B3 111.0(3) . . ?
C2 B8 B3 58.8(2) . . ?
B9 B8 B3 59.0(2) . . ?
B13 B8 Ni14 67.7(2) . . ?
C2 B8 Ni14 113.5(2) . . ?
B9 B8 Ni14 64.86(18) . . ?
B3 B8 Ni14 113.4(3) . . ?
B13 B8 H8C 119.3(17) . . ?
C2 B8 H8C 118.4(17) . . ?
B9 B8 H8C 118.8(17) . . ?
B3 B8 H8C 115.2(17) . . ?
Ni14 B8 H8C 121.5(17) . . ?
C10 B9 B3 109.5(3) . . ?
C10 B9 B4 57.8(2) . . ?
B3 B9 B4 59.5(2) . . ?
C10 B9 B8 122.6(3) . . ?
B3 B9 B8 60.6(2) . . ?
B4 B9 B8 112.5(3) . . ?
C10 B9 Ni14 71.77(19) . . ?
B3 B9 Ni14 116.1(3) . . ?
B4 B9 Ni14 118.3(2) . . ?
B8 B9 Ni14 66.66(18) . . ?
C10 B9 H9C 113.2(17) . . ?
B3 B9 H9C 117.9(17) . . ?
B4 B9 H9C 112.6(17) . . ?
B8 B9 H9C 120.8(17) . . ?
Ni14 B9 H9C 118.7(17) . . ?
B11 C10 B4 116.1(3) . . ?
B11 C10 B5 63.4(2) . . ?
B4 C10 B5 61.6(2) . . ?
B11 C10 B9 119.8(3) . . ?
B4 C10 B9 63.2(2) . . ?
B5 C10 B9 115.8(3) . . ?
B11 C10 Ni14 66.64(19) . . ?
B4 C10 Ni14 115.6(2) . . ?
B5 C10 Ni14 117.6(2) . . ?
B9 C10 Ni14 63.18(18) . . ?
B11 C10 H10C 120.0(18) . . ?
B4 C10 H10C 113.3(18) . . ?
B5 C10 H10C 118.5(18) . . ?
B9 C10 H10C 111.5(18) . . ?
Ni14 C10 H10C 117.7(17) . . ?
C10 B11 B6 110.0(3) . . ?
C10 B11 B5 59.7(2) . . ?
B6 B11 B5 59.4(2) . . ?
C10 B11 B12 118.8(3) . . ?
B6 B11 B12 60.1(2) . . ?
B5 B11 B12 111.1(3) . . ?
C10 B11 Ni14 70.67(19) . . ?
B6 B11 Ni14 113.3(3) . . ?
B5 B11 Ni14 118.0(2) . . ?
B12 B11 Ni14 63.24(18) . . ?
C10 B11 H11C 115.5(18) . . ?
B6 B11 H11C 118.3(18) . . ?
B5 B11 H11C 114.2(18) . . ?
B12 B11 H11C 121.4(18) . . ?
Ni14 B11 H11C 119.6(18) . . ?
B7 B12 B13 59.5(2) . . ?
B7 B12 B6 59.6(2) . . ?
B13 B12 B6 112.5(3) . . ?
B7 B12 B11 110.1(3) . . ?
B13 B12 B11 122.4(3) . . ?
B6 B12 B11 59.6(2) . . ?
B7 B12 Ni14 115.4(2) . . ?
B13 B12 Ni14 68.31(19) . . ?
B6 B12 Ni14 117.6(3) . . ?
B11 B12 Ni14 68.96(19) . . ?
B7 B12 H12C 115.2(18) . . ?
B13 B12 H12C 114.4(17) . . ?
B6 B12 H12C 115.5(17) . . ?
B11 B12 H12C 119.5(18) . . ?
Ni14 B12 H12C 119.5(18) . . ?
B8 B13 C2 60.7(2) . . ?
B8 B13 B7 111.1(3) . . ?
C2 B13 B7 58.8(2) . . ?
B8 B13 B12 117.9(3) . . ?
C2 B13 B12 109.2(3) . . ?
B7 B13 B12 59.7(2) . . ?
B8 B13 Ni14 66.6(2) . . ?
C2 B13 Ni14 113.4(3) . . ?
B7 B13 Ni14 112.3(3) . . ?
B12 B13 Ni14 64.22(19) . . ?
B8 B13 H13C 121.7(19) . . ?
C2 B13 H13C 118.2(18) . . ?
B7 B13 H13C 113.9(18) . . ?
B12 B13 H13C 116.1(19) . . ?
Ni14 B13 H13C 123.1(17) . . ?
B12 Ni14 B9 102.99(16) . . ?
B12 Ni14 B8 86.35(16) . . ?
B9 Ni14 B8 48.48(16) . . ?
B12 Ni14 P2 173.28(11) . . ?
B9 Ni14 P2 83.73(11) . . ?
B8 Ni14 P2 98.33(12) . . ?
B12 Ni14 P1 84.91(11) . . ?
B9 Ni14 P1 172.07(12) . . ?
B8 Ni14 P1 134.03(11) . . ?
P2 Ni14 P1 88.37(4) . . ?
B12 Ni14 B13 47.47(16) . . ?
B9 Ni14 B13 86.54(16) . . ?
B8 Ni14 B13 45.68(16) . . ?
P2 Ni14 B13 134.19(11) . . ?
P1 Ni14 B13 99.52(11) . . ?
B12 Ni14 B11 47.80(16) . . ?
B9 Ni14 B11 82.92(15) . . ?
B8 Ni14 B11 104.63(16) . . ?
P2 Ni14 B11 134.41(12) . . ?
P1 Ni14 B11 102.27(11) . . ?
B13 Ni14 B11 88.11(16) . . ?
B12 Ni14 C10 83.25(15) . . ?
B9 Ni14 C10 45.05(14) . . ?
B8 Ni14 C10 86.23(14) . . ?
P2 Ni14 C10 101.81(10) . . ?
P1 Ni14 C10 136.97(10) . . ?
B13 Ni14 C10 102.30(16) . . ?
B11 Ni14 C10 42.69(14) . . ?
C101 P1 C111 100.97(16) . . ?
C101 P1 C121 104.60(17) . . ?
C111 P1 C121 102.03(17) . . ?
C101 P1 Ni14 106.40(12) . . ?
C111 P1 Ni14 117.72(12) . . ?
C121 P1 Ni14 122.46(13) . . ?
C211 P2 C102 100.54(16) . . ?
C211 P2 C221 102.78(17) . . ?
C102 P2 C221 104.52(17) . . ?
C211 P2 Ni14 120.02(12) . . ?
C102 P2 Ni14 106.78(12) . . ?
C221 P2 Ni14 119.64(12) . . ?
C15 C10L C11 116.9(4) . . ?
C15 C10L C17 121.1(4) . . ?
C11 C10L C17 122.0(4) . . ?
C15 C10L Ru1 70.3(2) . . ?
C11 C10L Ru1 69.7(2) . . ?
C17 C10L Ru1 132.1(3) . . ?
C12 C11 C10L 121.8(3) . . ?
C12 C11 Ru1 72.0(2) . . ?
C10L C11 Ru1 73.3(2) . . ?
C12 C11 H11 119.1 . . ?
C10L C11 H11 119.1 . . ?
Ru1 C11 H11 127.9 . . ?
C11 C12 C13 121.3(4) . . ?
C11 C12 Ru1 71.6(2) . . ?
C13 C12 Ru1 73.3(2) . . ?
C11 C12 H12 119.4 . . ?
C13 C12 H12 119.4 . . ?
Ru1 C12 H12 128.0 . . ?
C12 C13 C14 117.3(4) . . ?
C12 C13 C16 121.0(4) . . ?
C14 C13 C16 121.8(4) . . ?
C12 C13 Ru1 70.1(2) . . ?
C14 C13 Ru1 70.0(2) . . ?
C16 C13 Ru1 130.8(3) . . ?
C15 C14 C13 121.8(4) . . ?
C15 C14 Ru1 72.2(2) . . ?
C13 C14 Ru1 73.1(2) . . ?
C15 C14 H14 119.1 . . ?
C13 C14 H14 119.1 . . ?
Ru1 C14 H14 127.8 . . ?
C14 C15 C10L 121.0(4) . . ?
C14 C15 Ru1 71.5(2) . . ?
C10L C15 Ru1 72.8(2) . . ?
C14 C15 H15 119.5 . . ?
C10L C15 H15 119.5 . . ?
Ru1 C15 H15 128.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18A C17 C18 105.0(6) . . ?
C18A C17 C10L 127.7(7) . . ?
C18 C17 C10L 122.4(6) . . ?
C18 C17 C19 117.5(5) . . ?
C10L C17 C19 108.7(4) . . ?
C18A C17 C19A 113.6(7) . . ?
C10L C17 C19A 103.7(5) . . ?
C18 C17 H17A 101.4 . . ?
C10L C17 H17A 101.4 . . ?
C19 C17 H17A 101.4 . . ?
C18A C17 H17B 102.9 . . ?
C10L C17 H17B 102.9 . . ?
C19A C17 H17B 102.9 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C18A H18D 109.5 . . ?
C17 C18A H18E 109.5 . . ?
H18D C18A H18E 109.5 . . ?
C17 C18A H18F 109.5 . . ?
H18D C18A H18F 109.5 . . ?
H18E C18A H18F 109.5 . . ?
C17 C19A H19D 109.5 . . ?
C17 C19A H19E 109.5 . . ?
H19D C19A H19E 109.5 . . ?
C17 C19A H19F 109.5 . . ?
H19D C19A H19F 109.5 . . ?
H19E C19A H19F 109.5 . . ?
C102 C101 P1 107.9(2) . . ?
C102 C101 H11Z 110.1 . . ?
P1 C101 H11Z 110.1 . . ?
C102 C101 H10D 110.1 . . ?
P1 C101 H10D 110.1 . . ?
H11Z C101 H10D 108.4 . . ?
C101 C102 P2 107.6(2) . . ?
C101 C102 H10A 110.2 . . ?
P2 C102 H10A 110.2 . . ?
C101 C102 H10B 110.2 . . ?
P2 C102 H10B 110.2 . . ?
H10A C102 H10B 108.5 . . ?
C112 C111 C116 117.7(3) . . ?
C112 C111 P1 118.7(3) . . ?
C116 C111 P1 123.6(3) . . ?
C113 C112 C111 121.0(3) . . ?
C113 C112 H112 119.5 . . ?
C111 C112 H112 119.5 . . ?
C114 C113 C112 120.2(4) . . ?
C114 C113 H113 119.9 . . ?
C112 C113 H113 119.9 . . ?
C113 C114 C115 119.0(4) . . ?
C113 C114 H114 120.5 . . ?
C115 C114 H114 120.5 . . ?
C116 C115 C114 120.9(4) . . ?
C116 C115 H115 119.6 . . ?
C114 C115 H115 119.6 . . ?
C115 C116 C111 121.2(4) . . ?
C115 C116 H116 119.4 . . ?
C111 C116 H116 119.4 . . ?
C122 C121 C126 118.0(4) . . ?
C122 C121 P1 122.3(3) . . ?
C126 C121 P1 119.6(3) . . ?
C121 C122 C123 120.1(4) . . ?
C121 C122 H122 119.9 . . ?
C123 C122 H122 119.9 . . ?
C124 C123 C122 121.3(4) . . ?
C124 C123 H123 119.3 . . ?
C122 C123 H123 119.3 . . ?
C125 C124 C123 118.7(4) . . ?
C125 C124 H124 120.7 . . ?
C123 C124 H124 120.7 . . ?
C124 C125 C126 121.4(4) . . ?
C124 C125 H125 119.3 . . ?
C126 C125 H125 119.3 . . ?
C121 C126 C125 120.4(4) . . ?
C121 C126 H126 119.8 . . ?
C125 C126 H126 119.8 . . ?
C212 C211 C216 118.9(3) . . ?
C212 C211 P2 117.0(3) . . ?
C216 C211 P2 123.9(3) . . ?
C213 C212 C211 120.5(4) . . ?
C213 C212 H212 119.7 . . ?
C211 C212 H212 119.7 . . ?
C212 C213 C214 120.5(4) . . ?
C212 C213 H213 119.8 . . ?
C214 C213 H213 119.8 . . ?
C215 C214 C213 119.0(4) . . ?
C215 C214 H214 120.5 . . ?
C213 C214 H214 120.5 . . ?
C214 C215 C216 121.4(4) . . ?
C214 C215 H215 119.3 . . ?
C216 C215 H215 119.3 . . ?
C215 C216 C211 119.6(4) . . ?
C215 C216 H216 120.2 . . ?
C211 C216 H216 120.2 . . ?
C222 C221 C226 117.7(3) . . ?
C222 C221 P2 121.5(3) . . ?
C226 C221 P2 120.7(3) . . ?
C221 C222 C223 120.6(4) . . ?
C221 C222 H222 119.7 . . ?
C223 C222 H222 119.7 . . ?
C224 C223 C222 120.8(4) . . ?
C224 C223 H223 119.6 . . ?
C222 C223 H223 119.6 . . ?
C223 C224 C225 119.1(4) . . ?
C223 C224 H224 120.5 . . ?
C225 C224 H224 120.5 . . ?
C226 C225 C224 120.5(4) . . ?
C226 C225 H225 119.7 . . ?
C224 C225 H225 119.7 . . ?
C225 C226 C221 121.2(4) . . ?
C225 C226 H226 119.4 . . ?
C221 C226 H226 119.4 . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        24.60
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.821
_refine_diff_density_min         -0.616
_refine_diff_density_rms         0.104