Supplementary Material (ESI) for Dalton Transactions
This journal is © The Royal Society of Chemistry 2002

data_rupjacs
_database_code_CSD                  186808

_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Krishnamurthy, Setharampattu S.'
'Nethaji, Munirathinam'
'Raghuraman, Kannan'

_publ_contact_author_name     	'Prof Setharampattu S Krishnamurthy'  
_publ_contact_author_address 
;
Inorganic and Physical Chemistry
Indian Institute of Science
Department of Inorganic and Physica
Indian Institute of Science
Bangalore
Karnataka
560012
INDIA
;

_publ_contact_author_email       'SSKRISH@IPC.IISC.ERNET.IN'

_publ_section_title		
;
Organometallic Chemistry of Diphosphazanes  Part 15†. Half-Sandwich
Cyclopentadienyl Ruthenium Complexes of Achiral and Chiral Diphosphazanes:
X-ray Crystal Structure of
(SCSPRRu)-[CpRu*{h2-(Ph2PN(*CHMePh)P*Ph(N2C3HMe2-3,5))}Cl]
;


_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
?
;
_publ_requested_category          'CM'
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C36 H36 Cl N3 P2 Ru'
_chemical_formula_sum
'C36 H36 Cl N3 P2 Ru'
_chemical_formula_weight          709.14

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
'C'  'C'   0.0033   0.0016
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'H'  'H'   0.0000   0.0000
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'N'  'N'   0.0061   0.0033
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'P'  'P'   0.1023   0.0942
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Cl'  'Cl'   0.1484   0.1585
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Ru'  'Ru'  -1.2594   0.8363
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting            Orthorhombic
_symmetry_space_group_name_H-M    'P 21 21 21'

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

_cell_length_a                    13.131(2)
_cell_length_b                    14.297(2)
_cell_length_c                    17.2878(2)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                      3245.5(7)
_cell_formula_units_Z             4
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     25
_cell_measurement_theta_min       8.23
_cell_measurement_theta_max       13.22

_exptl_crystal_description        Rectangular
_exptl_crystal_colour             Red
_exptl_crystal_size_max           0.150
_exptl_crystal_size_mid           0.100
_exptl_crystal_size_min           0.100
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.451
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1456
_exptl_absorpt_coefficient_mu     0.694
_exptl_absorpt_correction_type    none
_exptl_absorpt_correction_T_min   0.427
_exptl_absorpt_correction_T_max   0.809
_exptl_absorpt_process_details    DIFABS

_exptl_special_details
;
?
;

_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71070
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   'Enraf Nonius CAD4'
_diffrn_measurement_method        'non-profiled omega/2theta scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          3
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   60
_diffrn_standards_decay_%         2
_diffrn_reflns_number             3198
_diffrn_reflns_av_R_equivalents   0.0000
_diffrn_reflns_av_sigmaI/netI     0.1950
_diffrn_reflns_limit_h_min        0
_diffrn_reflns_limit_h_max        15
_diffrn_reflns_limit_k_min        0
_diffrn_reflns_limit_k_max        16
_diffrn_reflns_limit_l_min        0
_diffrn_reflns_limit_l_max        20
_diffrn_reflns_theta_min          1.85
_diffrn_reflns_theta_max          24.97
_reflns_number_total              3198
_reflns_number_gt                 1602
_reflns_threshold_expression      >2sigma(I)

_computing_data_collection        'Enrf Nonius CAD4' 
_computing_cell_refinement        'Enraf Nonius CAD4'
_computing_data_reduction         'XCAD4 (Harms & Wocadlo, 1995)'
_computing_structure_solution     ?
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material   ?

_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^)+(0.0171P)^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_abs_structure_details
'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack    0.04(8)
_refine_ls_number_reflns          3198
_refine_ls_number_parameters      388
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1787
_refine_ls_R_factor_gt            0.0634
_refine_ls_wR_factor_ref          0.0950
_refine_ls_wR_factor_gt           0.0712
_refine_ls_goodness_of_fit_ref    1.006
_refine_ls_restrained_S_all       1.006
_refine_ls_shift/su_max           0.007
_refine_ls_shift/su_mean          0.001

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 0.36674(8) 0.60650(8) 0.63684(6) 0.0340(3) Uani 1 1 d . . .
P1 P 0.2513(3) 0.7147(2) 0.67109(19) 0.0298(9) Uani 1 1 d . . .
Cl1 Cl 0.5226(2) 0.6889(2) 0.66737(19) 0.0459(10) Uani 1 1 d . . .
P2 P 0.3144(3) 0.5838(2) 0.76122(19) 0.0298(9) Uani 1 1 d . . .
N1 N 0.1348(8) 0.7088(6) 0.6226(5) 0.033(2) Uani 1 1 d . . .
N2 N 0.0557(8) 0.6555(7) 0.6540(6) 0.035(3) Uani 1 1 d . . .
N3 N 0.2294(7) 0.6746(6) 0.7601(5) 0.029(3) Uani 1 1 d . . .
C17 C 0.4551(9) 0.6773(8) 0.8492(7) 0.039(4) Uani 1 1 d . . .
H17 H 0.4542 0.7203 0.8088 0.046 Uiso 1 1 calc R . .
C29 C 0.1738(9) 0.8980(10) 0.6761(6) 0.046(4) Uani 1 1 d . . .
H29 H 0.1096 0.8730 0.6668 0.055 Uiso 1 1 calc R . .
C36 C 0.1601(9) 0.7188(9) 0.8221(7) 0.040(4) Uani 1 1 d . . .
H36 H 0.1216 0.7686 0.7963 0.048 Uiso 1 1 calc R . .
C6 C 0.2450(11) 0.4733(9) 0.7707(7) 0.036(4) Uani 1 1 d . . .
C18 C 0.2184(10) 0.7643(10) 0.8873(7) 0.042(4) Uani 1 1 d . . .
C35 C 0.0821(8) 0.6485(8) 0.8523(7) 0.060(5) Uani 1 1 d . . .
H35A H 0.0457 0.6216 0.8095 0.090 Uiso 1 1 calc R . .
H35B H 0.0350 0.6797 0.8860 0.090 Uiso 1 1 calc R . .
H35C H 0.1165 0.5999 0.8803 0.090 Uiso 1 1 calc R . .
C11 C 0.2977(8) 0.3907(10) 0.7866(6) 0.039(3) Uani 1 1 d . . .
H11 H 0.3658 0.3933 0.8012 0.046 Uiso 1 1 calc R . .
C12 C 0.3926(8) 0.5982(9) 0.8471(6) 0.031(3) Uani 1 1 d . . .
C7 C 0.1463(11) 0.4648(9) 0.7446(7) 0.037(4) Uani 1 1 d . . .
H7 H 0.1109 0.5189 0.7316 0.044 Uiso 1 1 calc R . .
C13 C 0.3930(10) 0.5371(9) 0.9081(7) 0.045(4) Uani 1 1 d . . .
H13 H 0.3505 0.4851 0.9073 0.054 Uiso 1 1 calc R . .
C24 C 0.2615(10) 0.8406(8) 0.6789(7) 0.030(3) Uani 1 1 d . . .
C25 C 0.3542(11) 0.8798(10) 0.6920(7) 0.048(4) Uani 1 1 d . . .
H25 H 0.4108 0.8406 0.6920 0.058 Uiso 1 1 calc R . .
C14 C 0.4567(12) 0.5523(10) 0.9715(8) 0.059(5) Uani 1 1 d . . .
H14 H 0.4557 0.5116 1.0134 0.070 Uiso 1 1 calc R . .
C9 C 0.1494(12) 0.2994(11) 0.7575(8) 0.067(5) Uani 1 1 d . . .
H9 H 0.1169 0.2417 0.7554 0.080 Uiso 1 1 calc R . .
C10 C 0.2499(11) 0.3062(10) 0.7808(8) 0.055(5) Uani 1 1 d . . .
H10 H 0.2857 0.2520 0.7928 0.066 Uiso 1 1 calc R . .
C15 C 0.5212(12) 0.6286(11) 0.9711(9) 0.067(5) Uani 1 1 d . . .
H15 H 0.5669 0.6374 1.0116 0.081 Uiso 1 1 calc R . .
C19 C 0.2392(10) 0.7227(10) 0.9569(7) 0.047(4) Uani 1 1 d . . .
H19 H 0.2170 0.6619 0.9659 0.056 Uiso 1 1 calc R . .
C23 C 0.2486(9) 0.8570(9) 0.8787(7) 0.043(4) Uani 1 1 d . . .
H23 H 0.2321 0.8879 0.8330 0.052 Uiso 1 1 calc R . .
C33 C -0.0112(10) 0.6537(9) 0.5974(9) 0.045(4) Uani 1 1 d . . .
C16 C 0.5182(11) 0.6905(10) 0.9120(8) 0.054(4) Uani 1 1 d . . .
H16 H 0.5596 0.7432 0.9138 0.064 Uiso 1 1 calc R . .
C22 C 0.3018(10) 0.9053(11) 0.9345(8) 0.062(5) Uani 1 1 d . . .
H22 H 0.3234 0.9663 0.9256 0.074 Uiso 1 1 calc R . .
C31 C 0.1120(10) 0.7356(8) 0.5483(7) 0.035(4) Uani 1 1 d . . .
C4 C 0.4477(16) 0.5433(15) 0.5352(12) 0.083(7) Uani 1 1 d . . .
H4 H 0.5136 0.5583 0.5199 0.099 Uiso 1 1 calc R . .
C5 C 0.4232(18) 0.4747(13) 0.5856(10) 0.067(5) Uani 1 1 d . . .
H5 H 0.4686 0.4361 0.6117 0.080 Uiso 1 1 calc R . .
C30 C 0.1877(10) 0.7890(9) 0.5024(7) 0.063(5) Uani 1 1 d . . .
H30A H 0.2451 0.8041 0.5344 0.095 Uiso 1 1 calc R . .
H30B H 0.1570 0.8456 0.4837 0.095 Uiso 1 1 calc R . .
H30C H 0.2099 0.7518 0.4594 0.095 Uiso 1 1 calc R . .
C8 C 0.0981(9) 0.3812(10) 0.7370(8) 0.057(4) Uani 1 1 d . . .
H8 H 0.0317 0.3785 0.7184 0.068 Uiso 1 1 calc R . .
C21 C 0.3225(12) 0.8609(12) 1.0044(9) 0.069(6) Uani 1 1 d . . .
H21 H 0.3560 0.8928 1.0437 0.083 Uiso 1 1 calc R . .
C26 C 0.3701(14) 0.9747(10) 0.7057(9) 0.074(5) Uani 1 1 d . . .
H26 H 0.4340 0.9993 0.7169 0.089 Uiso 1 1 calc R . .
C32 C 0.0182(11) 0.6983(9) 0.5309(8) 0.050(4) Uani 1 1 d . . .
H32 H -0.0173 0.7023 0.4845 0.060 Uiso 1 1 calc R . .
C27 C 0.2839(15) 1.0291(11) 0.7011(9) 0.076(6) Uani 1 1 d . . .
H27 H 0.2904 1.0935 0.7073 0.091 Uiso 1 1 calc R . .
C3 C 0.318(2) 0.4726(13) 0.5913(10) 0.076(7) Uani 1 1 d . . .
H3 H 0.2794 0.4320 0.6214 0.091 Uiso 1 1 calc R . .
C28 C 0.1877(13) 0.9926(10) 0.6877(8) 0.067(5) Uani 1 1 d . . .
H28 H 0.1318 1.0325 0.6864 0.080 Uiso 1 1 calc R . .
C20 C 0.2932(11) 0.7700(12) 1.0148(8) 0.068(5) Uani 1 1 d . . .
H20 H 0.3092 0.7393 1.0606 0.082 Uiso 1 1 calc R . .
C2 C 0.2808(15) 0.5433(17) 0.5430(14) 0.095(9) Uani 1 1 d . . .
H2 H 0.2129 0.5584 0.5344 0.114 Uiso 1 1 calc R . .
C34 C -0.1092(9) 0.5991(10) 0.6072(7) 0.061(4) Uani 1 1 d . . .
H34A H -0.1136 0.5759 0.6592 0.092 Uiso 1 1 calc R . .
H34B H -0.1099 0.5474 0.5717 0.092 Uiso 1 1 calc R . .
H34C H -0.1662 0.6392 0.5969 0.092 Uiso 1 1 calc R . .
C1 C 0.364(2) 0.5862(11) 0.5107(9) 0.077(6) Uani 1 1 d . . .
H1 H 0.3621 0.6370 0.4771 0.093 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 0.0338(5) 0.0351(6) 0.0331(6) -0.0050(7) 0.0021(7) -0.0020(7)
P1 0.030(2) 0.030(2) 0.029(2) 0.0033(18) -0.0052(19) -0.0066(19)
Cl1 0.040(2) 0.054(3) 0.044(2) -0.005(2) 0.0018(18) -0.0113(19)
P2 0.031(2) 0.023(2) 0.035(2) -0.0024(17) 0.0009(17) 0.0012(18)
N1 0.031(5) 0.040(6) 0.030(6) 0.019(5) -0.012(6) -0.006(7)
N2 0.031(6) 0.033(6) 0.041(8) -0.003(6) 0.004(6) 0.004(5)
N3 0.031(7) 0.025(6) 0.031(6) 0.000(5) 0.001(5) 0.003(5)
C17 0.041(8) 0.039(8) 0.036(9) 0.012(8) -0.003(7) -0.010(7)
C29 0.047(9) 0.049(9) 0.042(8) 0.026(9) 0.014(7) 0.011(9)
C36 0.040(9) 0.042(9) 0.037(9) 0.007(7) 0.011(8) -0.007(7)
C6 0.036(9) 0.034(9) 0.037(9) -0.005(7) -0.005(8) 0.001(8)
C18 0.042(9) 0.048(10) 0.036(10) -0.010(8) -0.018(7) 0.006(8)
C35 0.050(9) 0.079(11) 0.052(10) -0.014(9) 0.033(8) -0.006(8)
C11 0.026(7) 0.030(8) 0.060(9) 0.013(9) -0.004(6) -0.003(9)
C12 0.030(7) 0.035(7) 0.029(8) 0.007(7) -0.003(6) -0.016(7)
C7 0.031(9) 0.031(8) 0.049(9) -0.002(7) -0.006(8) 0.011(7)
C13 0.049(10) 0.039(9) 0.048(9) 0.012(7) -0.008(8) -0.018(8)
C24 0.037(8) 0.023(8) 0.031(8) 0.011(6) 0.005(7) -0.009(7)
C25 0.036(9) 0.043(10) 0.067(9) 0.008(8) 0.011(8) 0.002(10)
C14 0.068(12) 0.068(12) 0.040(10) 0.014(9) -0.006(9) 0.001(10)
C9 0.059(12) 0.053(11) 0.089(12) 0.015(10) -0.022(11) -0.028(10)
C10 0.058(11) 0.021(9) 0.087(13) 0.003(8) -0.021(11) -0.007(9)
C15 0.070(12) 0.080(15) 0.052(11) -0.004(10) -0.008(10) -0.023(12)
C19 0.051(10) 0.054(10) 0.035(9) 0.010(9) -0.009(8) 0.021(9)
C23 0.040(8) 0.060(11) 0.029(9) -0.009(7) 0.007(7) 0.002(8)
C33 0.043(9) 0.032(9) 0.060(11) -0.001(8) 0.000(9) -0.007(8)
C16 0.055(10) 0.052(11) 0.054(11) 0.012(9) -0.019(9) -0.006(9)
C22 0.063(10) 0.054(11) 0.069(11) -0.032(11) -0.014(9) 0.009(10)
C31 0.031(9) 0.033(8) 0.043(9) 0.016(7) 0.024(8) 0.012(8)
C4 0.079(17) 0.068(16) 0.100(18) -0.031(13) 0.068(14) -0.037(13)
C5 0.093(17) 0.049(14) 0.059(14) -0.013(11) -0.009(13) 0.017(12)
C30 0.061(10) 0.078(12) 0.050(10) 0.026(10) -0.018(8) -0.006(10)
C8 0.024(8) 0.050(11) 0.097(12) 0.008(11) -0.006(8) -0.008(8)
C21 0.069(13) 0.086(16) 0.053(12) -0.041(11) 0.004(9) -0.014(11)
C26 0.059(12) 0.049(11) 0.114(14) -0.004(11) 0.020(14) -0.032(12)
C32 0.047(10) 0.051(10) 0.051(10) 0.004(9) -0.010(8) -0.011(9)
C27 0.114(19) 0.041(12) 0.071(13) 0.022(10) 0.030(13) -0.016(12)
C3 0.13(2) 0.050(15) 0.048(13) -0.023(10) 0.026(14) -0.053(14)
C28 0.080(14) 0.028(10) 0.093(13) 0.019(10) 0.003(11) 0.017(10)
C20 0.055(11) 0.114(16) 0.035(10) -0.027(11) -0.022(9) 0.019(12)
C2 0.061(15) 0.11(2) 0.12(2) -0.081(16) 0.015(15) -0.023(15)
C34 0.047(10) 0.065(10) 0.072(11) 0.013(10) -0.012(8) -0.006(11)
C1 0.127(17) 0.043(13) 0.061(11) -0.026(10) -0.031(16) 0.039(18)

_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 C3 2.167(16) . ?
Ru1 C2 2.173(18) . ?
Ru1 C1 2.200(15) . ?
Ru1 C5 2.210(16) . ?
Ru1 C4 2.243(15) . ?
Ru1 P1 2.246(4) . ?
Ru1 P2 2.281(3) . ?
Ru1 Cl1 2.420(3) . ?
P1 N3 1.667(10) . ?
P1 N1 1.746(10) . ?
P1 C24 1.809(12) . ?
P1 P2 2.573(5) . ?
P2 N3 1.712(9) . ?
P2 C12 1.817(10) . ?
P2 C6 1.831(13) . ?
N1 C31 1.373(13) . ?
N1 N2 1.397(12) . ?
N2 C33 1.315(15) . ?
N3 C36 1.541(13) . ?
C17 C16 1.379(15) . ?
C17 C12 1.398(14) . ?
C29 C28 1.379(17) . ?
C29 C24 1.415(15) . ?
C36 C18 1.510(14) . ?
C36 C35 1.528(14) . ?
C6 C7 1.378(17) . ?
C6 C11 1.396(15) . ?
C18 C19 1.370(15) . ?
C18 C23 1.392(15) . ?
C11 C10 1.365(15) . ?
C12 C13 1.369(14) . ?
C7 C8 1.358(16) . ?
C13 C14 1.395(16) . ?
C24 C25 1.359(16) . ?
C25 C26 1.393(17) . ?
C14 C15 1.381(17) . ?
C9 C10 1.383(17) . ?
C9 C8 1.395(18) . ?
C15 C16 1.352(17) . ?
C19 C20 1.400(16) . ?
C23 C22 1.376(15) . ?
C33 C32 1.370(16) . ?
C33 C34 1.515(15) . ?
C22 C21 1.392(18) . ?
C31 C32 1.376(17) . ?
C31 C30 1.483(15) . ?
C4 C1 1.33(2) . ?
C4 C5 1.350(19) . ?
C5 C3 1.386(18) . ?
C21 C20 1.367(19) . ?
C26 C27 1.377(19) . ?
C27 C28 1.386(18) . ?
C3 C2 1.40(2) . ?
C2 C1 1.37(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C3 Ru1 C2 37.6(6) . . ?
C3 Ru1 C1 61.2(6) . . ?
C2 Ru1 C1 36.5(6) . . ?
C3 Ru1 C5 36.9(5) . . ?
C2 Ru1 C5 61.3(7) . . ?
C1 Ru1 C5 59.7(6) . . ?
C3 Ru1 C4 60.0(7) . . ?
C2 Ru1 C4 59.6(6) . . ?
C1 Ru1 C4 34.8(6) . . ?
C5 Ru1 C4 35.3(5) . . ?
C3 Ru1 P1 120.3(8) . . ?
C2 Ru1 P1 97.6(5) . . ?
C1 Ru1 P1 109.9(6) . . ?
C5 Ru1 P1 156.9(6) . . ?
C4 Ru1 P1 143.5(7) . . ?
C3 Ru1 P2 97.3(5) . . ?
C2 Ru1 P2 119.2(7) . . ?
C1 Ru1 P2 155.6(7) . . ?
C5 Ru1 P2 111.0(6) . . ?
C4 Ru1 P2 145.5(7) . . ?
P1 Ru1 P2 69.28(12) . . ?
C3 Ru1 Cl1 139.4(8) . . ?
C2 Ru1 Cl1 143.5(7) . . ?
C1 Ru1 Cl1 107.1(7) . . ?
C5 Ru1 Cl1 102.6(6) . . ?
C4 Ru1 Cl1 88.1(5) . . ?
P1 Ru1 Cl1 100.24(13) . . ?
P2 Ru1 Cl1 96.81(12) . . ?
N3 P1 N1 106.0(5) . . ?
N3 P1 C24 106.7(5) . . ?
N1 P1 C24 98.6(5) . . ?
N3 P1 Ru1 97.0(4) . . ?
N1 P1 Ru1 115.6(3) . . ?
C24 P1 Ru1 130.9(5) . . ?
N3 P1 P2 41.1(3) . . ?
N1 P1 P2 122.5(3) . . ?
C24 P1 P2 130.9(4) . . ?
Ru1 P1 P2 56.00(11) . . ?
N3 P2 C12 107.0(5) . . ?
N3 P2 C6 109.3(6) . . ?
C12 P2 C6 107.8(6) . . ?
N3 P2 Ru1 94.4(4) . . ?
C12 P2 Ru1 125.7(4) . . ?
C6 P2 Ru1 111.0(4) . . ?
N3 P2 P1 39.8(3) . . ?
C12 P2 P1 126.5(4) . . ?
C6 P2 P1 121.4(5) . . ?
Ru1 P2 P1 54.72(11) . . ?
C31 N1 N2 110.7(10) . . ?
C31 N1 P1 128.7(10) . . ?
N2 N1 P1 119.4(8) . . ?
C33 N2 N1 102.6(10) . . ?
C36 N3 P1 127.0(8) . . ?
C36 N3 P2 133.5(8) . . ?
P1 N3 P2 99.2(5) . . ?
C16 C17 C12 118.9(12) . . ?
C28 C29 C24 117.2(14) . . ?
C18 C36 C35 111.6(11) . . ?
C18 C36 N3 113.4(10) . . ?
C35 C36 N3 111.3(10) . . ?
C7 C6 C11 117.1(12) . . ?
C7 C6 P2 121.1(11) . . ?
C11 C6 P2 120.0(11) . . ?
C19 C18 C23 116.8(13) . . ?
C19 C18 C36 124.8(14) . . ?
C23 C18 C36 118.4(12) . . ?
C10 C11 C6 120.4(11) . . ?
C13 C12 C17 119.7(11) . . ?
C13 C12 P2 124.0(10) . . ?
C17 C12 P2 116.4(9) . . ?
C8 C7 C6 123.2(13) . . ?
C12 C13 C14 120.5(13) . . ?
C25 C24 C29 119.6(12) . . ?
C25 C24 P1 119.3(11) . . ?
C29 C24 P1 121.0(10) . . ?
C24 C25 C26 124.4(15) . . ?
C15 C14 C13 119.2(14) . . ?
C10 C9 C8 118.4(14) . . ?
C11 C10 C9 121.5(14) . . ?
C16 C15 C14 120.1(15) . . ?
C18 C19 C20 121.3(14) . . ?
C22 C23 C18 123.2(13) . . ?
N2 C33 C32 115.3(13) . . ?
N2 C33 C34 119.6(13) . . ?
C32 C33 C34 124.9(14) . . ?
C15 C16 C17 121.6(14) . . ?
C23 C22 C21 118.6(16) . . ?
N1 C31 C32 106.9(12) . . ?
N1 C31 C30 119.9(13) . . ?
C32 C31 C30 133.0(13) . . ?
C1 C4 C5 110.1(18) . . ?
C1 C4 Ru1 70.8(10) . . ?
C5 C4 Ru1 71.0(9) . . ?
C4 C5 C3 107.4(19) . . ?
C4 C5 Ru1 73.7(10) . . ?
C3 C5 Ru1 69.9(11) . . ?
C7 C8 C9 119.2(12) . . ?
C20 C21 C22 119.5(16) . . ?
C27 C26 C25 114.7(17) . . ?
C33 C32 C31 104.4(13) . . ?
C26 C27 C28 123.1(17) . . ?
C5 C3 C2 107(2) . . ?
C5 C3 Ru1 73.2(11) . . ?
C2 C3 Ru1 71.4(10) . . ?
C29 C28 C27 120.9(16) . . ?
C21 C20 C19 120.5(16) . . ?
C1 C2 C3 107(2) . . ?
C1 C2 Ru1 72.8(11) . . ?
C3 C2 Ru1 71.0(11) . . ?
C4 C1 C2 108.8(17) . . ?
C4 C1 Ru1 74.4(10) . . ?
C2 C1 Ru1 70.6(11) . . ?

_diffrn_measured_fraction_theta_max    1.000
_diffrn_reflns_theta_full              24.97
_diffrn_measured_fraction_theta_full   1.000
_refine_diff_density_max    0.550
_refine_diff_density_min   -0.930
_refine_diff_density_rms    0.120