# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2013

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_kp
#TrackingRef 'CIF_880432.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C17 H13 Cl2 N5 O2 Ru'
_chemical_formula_sum            'C17 H13 Cl2 N5 O2 Ru'
_chemical_formula_weight         491.29

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'
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           monoclinic
_symmetry_space_group_name_H-M   'P 21/c'
_symmetry_space_group_name_Hall  '-P 2ybc'

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

_cell_length_a                   8.6701(3)
_cell_length_b                   27.3657(10)
_cell_length_c                   8.7172(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 115.417(2)
_cell_angle_gamma                90.00
_cell_volume                     1868.08(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    112
_cell_measurement_theta_min      2.34
_cell_measurement_theta_max      27.45

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.747
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             976.0
_exptl_absorpt_coefficient_mu    1.148
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.759
_exptl_absorpt_correction_T_max  0.823
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      273(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 omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29973
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         1.49
_diffrn_reflns_theta_max         27.65
_reflns_number_total             4361
_reflns_number_gt                3229
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Kappa Apex'
_computing_cell_refinement       'Bruker Kappa Apex'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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^)+(0.0387P)^2^+0.2009P] 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    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4361
_refine_ls_number_parameters     244
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0357
_refine_ls_wR_factor_ref         0.0792
_refine_ls_wR_factor_gt          0.0724
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_restrained_S_all      0.976
_refine_ls_shift/su_max          0.005
_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 0.74221(3) 0.822127(7) 0.07209(3) 0.03125(9) Uani 1 1 d . . .
Cl1 Cl 0.52206(10) 0.83710(3) -0.20205(9) 0.0451(2) Uani 1 1 d . . .
Cl2 Cl 0.96357(10) 0.81362(3) 0.35312(10) 0.0463(2) Uani 1 1 d . . .
O1 O 0.8206(3) 0.96902(7) 0.0705(3) 0.0503(6) Uani 1 1 d . . .
O2 O 0.7589(3) 0.71652(7) 0.0629(3) 0.0535(6) Uani 1 1 d . . .
N1 N 0.9168(3) 0.84839(8) -0.0122(3) 0.0330(5) Uani 1 1 d . . .
N2 N 0.7431(3) 0.89249(8) 0.1239(3) 0.0341(5) Uani 1 1 d . . .
N3 N 0.6296(3) 0.90763(8) 0.1910(3) 0.0376(6) Uani 1 1 d . . .
N4 N 0.5632(3) 0.82483(8) 0.1675(3) 0.0336(5) Uani 1 1 d . . .
N5 N 0.7485(3) 0.75825(9) 0.0506(3) 0.0350(6) Uani 1 1 d . . .
C1 C 0.9334(4) 0.89745(10) -0.0003(3) 0.0346(7) Uani 1 1 d . . .
C2 C 0.8253(4) 0.92455(10) 0.0678(3) 0.0344(7) Uani 1 1 d . . .
C3 C 0.6689(4) 0.95080(10) 0.2979(4) 0.0376(7) Uani 1 1 d . . .
C4 C 0.8056(4) 0.95016(12) 0.4524(4) 0.0560(9) Uani 1 1 d . . .
H4 H 0.8733 0.9224 0.4896 0.067 Uiso 1 1 calc R . .
C5 C 0.8421(5) 0.99114(16) 0.5529(5) 0.0769(12) Uani 1 1 d . . .
H5 H 0.9350 0.9911 0.6590 0.092 Uiso 1 1 calc R . .
C6 C 0.7437(6) 1.03165(15) 0.4981(6) 0.0817(13) Uani 1 1 d . . .
H6 H 0.7720 1.0596 0.5652 0.098 Uiso 1 1 calc R . .
C7 C 0.6041(6) 1.03173(13) 0.3461(6) 0.0763(12) Uani 1 1 d . . .
H7 H 0.5350 1.0593 0.3116 0.092 Uiso 1 1 calc R . .
C8 C 0.5641(4) 0.99076(12) 0.2419(4) 0.0555(9) Uani 1 1 d . . .
H8 H 0.4691 0.9905 0.1373 0.067 Uiso 1 1 calc R . .
C9 C 0.5454(3) 0.86963(10) 0.2235(3) 0.0353(7) Uani 1 1 d . . .
C10 C 0.4411(4) 0.87590(12) 0.3072(4) 0.0481(8) Uani 1 1 d . . .
H10 H 0.4318 0.9065 0.3487 0.058 Uiso 1 1 calc R . .
C11 C 0.3537(4) 0.83770(13) 0.3280(4) 0.0518(8) Uani 1 1 d . . .
H11 H 0.2854 0.8418 0.3851 0.062 Uiso 1 1 calc R . .
C12 C 0.3660(4) 0.79236(12) 0.2642(4) 0.0489(8) Uani 1 1 d . . .
H12 H 0.3037 0.7659 0.2745 0.059 Uiso 1 1 calc R . .
C13 C 0.4705(4) 0.78725(11) 0.1864(4) 0.0410(7) Uani 1 1 d . . .
H13 H 0.4793 0.7567 0.1440 0.049 Uiso 1 1 calc R . .
C14 C 1.0425(4) 0.92188(11) -0.0513(4) 0.0467(8) Uani 1 1 d . . .
H14 H 1.0542 0.9556 -0.0400 0.056 Uiso 1 1 calc R . .
C15 C 1.1342(4) 0.89564(12) -0.1193(4) 0.0526(9) Uani 1 1 d . . .
H15 H 1.2087 0.9115 -0.1542 0.063 Uiso 1 1 calc R . .
C16 C 1.1142(4) 0.84612(12) -0.1347(4) 0.0494(8) Uani 1 1 d . . .
H16 H 1.1729 0.8280 -0.1827 0.059 Uiso 1 1 calc R . .
C17 C 1.0067(4) 0.82324(10) -0.0787(4) 0.0407(7) Uani 1 1 d . . .
H17 H 0.9959 0.7894 -0.0871 0.049 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 0.03351(15) 0.02496(14) 0.04039(16) -0.00029(10) 0.02072(12) -0.00124(9)
Cl1 0.0488(5) 0.0377(4) 0.0446(5) 0.0012(3) 0.0162(4) 0.0030(3)
Cl2 0.0393(4) 0.0541(5) 0.0459(5) 0.0043(4) 0.0187(4) -0.0056(3)
O1 0.0639(14) 0.0268(11) 0.0756(16) -0.0027(10) 0.0446(13) -0.0063(10)
O2 0.0719(17) 0.0273(12) 0.0665(16) 0.0003(11) 0.0346(13) 0.0060(10)
N1 0.0360(13) 0.0290(13) 0.0390(14) 0.0002(11) 0.0209(12) -0.0009(10)
N2 0.0396(14) 0.0279(13) 0.0459(14) -0.0045(11) 0.0290(12) -0.0033(10)
N3 0.0416(14) 0.0323(13) 0.0501(15) -0.0072(11) 0.0303(13) -0.0043(11)
N4 0.0320(13) 0.0324(13) 0.0412(14) 0.0013(11) 0.0203(12) -0.0027(10)
N5 0.0360(14) 0.0312(14) 0.0410(15) 0.0012(11) 0.0197(12) 0.0022(10)
C1 0.0374(16) 0.0339(16) 0.0365(16) 0.0013(13) 0.0198(14) -0.0028(12)
C2 0.0373(16) 0.0282(16) 0.0404(17) -0.0036(13) 0.0191(14) -0.0046(12)
C3 0.0442(18) 0.0314(16) 0.0450(19) -0.0042(13) 0.0264(16) -0.0007(13)
C4 0.059(2) 0.050(2) 0.052(2) -0.0064(17) 0.0174(19) 0.0024(17)
C5 0.081(3) 0.080(3) 0.065(3) -0.034(2) 0.027(2) -0.018(2)
C6 0.107(4) 0.057(3) 0.112(4) -0.044(3) 0.077(3) -0.024(3)
C7 0.102(3) 0.041(2) 0.116(4) -0.005(2) 0.075(3) 0.014(2)
C8 0.061(2) 0.049(2) 0.063(2) 0.0006(18) 0.033(2) 0.0117(17)
C9 0.0314(16) 0.0382(17) 0.0416(18) 0.0001(13) 0.0206(14) -0.0007(12)
C10 0.048(2) 0.052(2) 0.055(2) -0.0081(16) 0.0326(18) -0.0016(16)
C11 0.0417(19) 0.070(2) 0.057(2) 0.0036(18) 0.0332(18) -0.0034(17)
C12 0.0394(19) 0.053(2) 0.059(2) 0.0102(17) 0.0255(17) -0.0052(15)
C13 0.0387(17) 0.0351(16) 0.0496(19) 0.0069(14) 0.0193(16) -0.0032(13)
C14 0.054(2) 0.0421(18) 0.056(2) 0.0017(15) 0.0344(18) -0.0063(15)
C15 0.052(2) 0.059(2) 0.060(2) 0.0071(17) 0.0374(18) -0.0036(16)
C16 0.049(2) 0.058(2) 0.052(2) -0.0044(17) 0.0322(17) 0.0054(17)
C17 0.0460(19) 0.0368(17) 0.0471(19) -0.0031(14) 0.0272(16) 0.0024(14)

_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 N5 1.761(2) . ?
Ru1 N2 1.977(2) . ?
Ru1 N4 2.052(2) . ?
Ru1 N1 2.074(2) . ?
Ru1 Cl1 2.3678(8) . ?
Ru1 Cl2 2.3882(8) . ?
O1 C2 1.218(3) . ?
O2 N5 1.147(3) . ?
N1 C17 1.344(3) . ?
N1 C1 1.349(3) . ?
N2 C2 1.347(3) . ?
N2 N3 1.406(3) . ?
N3 C9 1.368(3) . ?
N3 C3 1.452(3) . ?
N4 C9 1.353(3) . ?
N4 C13 1.358(3) . ?
C1 C14 1.379(4) . ?
C1 C2 1.503(4) . ?
C3 C4 1.360(4) . ?
C3 C8 1.371(4) . ?
C4 C5 1.374(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.355(5) . ?
C5 H5 0.9300 . ?
C6 C7 1.358(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.390(5) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C10 1.395(4) . ?
C10 C11 1.348(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.383(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.351(4) . ?
C12 H12 0.9300 . ?
C13 H13 0.9300 . ?
C14 C15 1.380(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.365(4) . ?
C15 H15 0.9300 . ?
C16 C17 1.374(4) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?

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
N5 Ru1 N2 173.51(10) . . ?
N5 Ru1 N4 98.15(9) . . ?
N2 Ru1 N4 78.59(9) . . ?
N5 Ru1 N1 104.24(9) . . ?
N2 Ru1 N1 79.12(9) . . ?
N4 Ru1 N1 157.61(8) . . ?
N5 Ru1 Cl1 96.48(7) . . ?
N2 Ru1 Cl1 89.11(7) . . ?
N4 Ru1 Cl1 88.88(7) . . ?
N1 Ru1 Cl1 88.69(6) . . ?
N5 Ru1 Cl2 87.96(7) . . ?
N2 Ru1 Cl2 86.44(7) . . ?
N4 Ru1 Cl2 90.14(7) . . ?
N1 Ru1 Cl2 90.57(6) . . ?
Cl1 Ru1 Cl2 175.55(3) . . ?
C17 N1 C1 118.7(2) . . ?
C17 N1 Ru1 128.47(19) . . ?
C1 N1 Ru1 112.81(17) . . ?
C2 N2 N3 122.2(2) . . ?
C2 N2 Ru1 120.16(18) . . ?
N3 N2 Ru1 116.55(15) . . ?
C9 N3 N2 113.1(2) . . ?
C9 N3 C3 119.0(2) . . ?
N2 N3 C3 119.6(2) . . ?
C9 N4 C13 118.5(3) . . ?
C9 N4 Ru1 113.70(18) . . ?
C13 N4 Ru1 127.7(2) . . ?
O2 N5 Ru1 169.4(2) . . ?
N1 C1 C14 121.5(3) . . ?
N1 C1 C2 117.2(2) . . ?
C14 C1 C2 121.3(3) . . ?
O1 C2 N2 128.0(3) . . ?
O1 C2 C1 122.2(3) . . ?
N2 C2 C1 109.8(2) . . ?
C4 C3 C8 121.7(3) . . ?
C4 C3 N3 119.3(3) . . ?
C8 C3 N3 118.9(3) . . ?
C3 C4 C5 119.0(3) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C6 C5 C4 120.4(4) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C5 C6 C7 120.5(4) . . ?
C5 C6 H6 119.7 . . ?
C7 C6 H6 119.7 . . ?
C6 C7 C8 120.3(4) . . ?
C6 C7 H7 119.9 . . ?
C8 C7 H7 119.9 . . ?
C3 C8 C7 118.0(3) . . ?
C3 C8 H8 121.0 . . ?
C7 C8 H8 121.0 . . ?
N4 C9 N3 117.4(2) . . ?
N4 C9 C10 120.0(3) . . ?
N3 C9 C10 122.5(3) . . ?
C11 C10 C9 120.2(3) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 119.8(3) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C13 C12 C11 118.6(3) . . ?
C13 C12 H12 120.7 . . ?
C11 C12 H12 120.7 . . ?
C12 C13 N4 122.8(3) . . ?
C12 C13 H13 118.6 . . ?
N4 C13 H13 118.6 . . ?
C1 C14 C15 119.2(3) . . ?
C1 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C16 C15 C14 119.1(3) . . ?
C16 C15 H15 120.5 . . ?
C14 C15 H15 120.5 . . ?
C15 C16 C17 119.7(3) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 H16 120.2 . . ?
N1 C17 C16 121.8(3) . . ?
N1 C17 H17 119.1 . . ?
C16 C17 H17 119.1 . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        27.65
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         0.370
_refine_diff_density_min         -0.332
_refine_diff_density_rms         0.077
_database_code_depnum_ccdc_archive 'CCDC 880432'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_kp
#TrackingRef 'CIF_4.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C35 H29 Cl N5 O P Ru, 2(Cl O4)'
_chemical_formula_sum            'C35 H29 Cl3 N5 O9 P Ru'
_chemical_formula_weight         902.02

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'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.332(2)
_cell_length_b                   13.149(3)
_cell_length_c                   15.401(3)
_cell_angle_alpha                89.076(12)
_cell_angle_beta                 76.191(11)
_cell_angle_gamma                67.489(10)
_cell_volume                     1870.4(7)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    112
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      27.56

_exptl_crystal_description       block
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             912.0
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.853
_exptl_absorpt_correction_T_max  0.895
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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 omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            29636
_diffrn_reflns_av_R_equivalents  0.0815
_diffrn_reflns_av_sigmaI/netI    0.0955
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         1.68
_diffrn_reflns_theta_max         27.68
_reflns_number_total             8758
_reflns_number_gt                4834
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker Kappa Apex'
_computing_cell_refinement       'Bruker Kappa Apex'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_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.

Three Oxygen atoms(O7, O8 and O9) of one perchlorate anion are disordered over
two positions (O7, O7'; O8, O8' and O9, O9') and is refined using PART with
0.5 occupancy of each atom. Also the Cl-O diatances in the disordered perchlorate
anion are restrained using DFIX. In addition EADP was used to maintain sensible
thermal parameters for atoms, O8, O8', O9 and O9'.
;

_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^)+(0.0000P)^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         8758
_refine_ls_number_parameters     500
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.1192
_refine_ls_R_factor_gt           0.0583
_refine_ls_wR_factor_ref         0.0908
_refine_ls_wR_factor_gt          0.0825
_refine_ls_goodness_of_fit_ref   1.374
_refine_ls_restrained_S_all      1.373
_refine_ls_shift/su_max          0.000
_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 0.04801(4) 0.24611(3) 0.31466(2) 0.03825(12) Uani 1 1 d . . .
Cl1 Cl -0.07579(12) 0.30853(9) 0.46782(7) 0.0535(3) Uani 1 1 d . . .
Cl2 Cl 0.57634(17) 0.56709(12) 0.20826(10) 0.0674(4) Uani 1 1 d . . .
Cl3 Cl 0.71503(16) 0.95045(13) 0.33326(11) 0.0768(4) Uani 1 1 d D . .
P1 P 0.19566(13) 0.18467(9) 0.16405(7) 0.0440(3) Uani 1 1 d . . .
O1 O -0.1921(4) 0.2344(3) 0.2589(2) 0.0678(10) Uani 1 1 d . . .
O2 O 0.5632(5) 0.5589(3) 0.1210(2) 0.1123(16) Uani 1 1 d . . .
O3 O 0.6650(4) 0.4602(3) 0.2313(2) 0.0851(12) Uani 1 1 d . . .
O4 O 0.6471(5) 0.6400(3) 0.2139(3) 0.1165(15) Uani 1 1 d . . .
O5 O 0.4406(5) 0.6071(3) 0.2687(3) 0.1202(16) Uani 1 1 d . . .
O6 O 0.6255(4) 0.9324(4) 0.2843(3) 0.1423(18) Uani 1 1 d D A .
O7 O 0.7944(11) 0.8701(6) 0.3831(7) 0.123(4) Uani 0.499(5) 1 d PD A 1
O8 O 0.7320(11) 1.0519(5) 0.3274(8) 0.134(2) Uani 0.501(5) 1 d PD A 2
O8' O 0.6497(12) 1.0584(4) 0.3760(8) 0.134(2) Uani 0.499(5) 1 d PD A 1
O9 O 0.8129(8) 0.9725(8) 0.2622(5) 0.134(2) Uani 0.499(5) 1 d PD A 1
O9' O 0.8572(4) 0.8737(7) 0.2962(8) 0.134(2) Uani 0.501(5) 1 d PD A 2
O7' O 0.6309(11) 0.9524(12) 0.4205(3) 0.155(5) Uani 0.501(5) 1 d PD A 2
N1 N -0.1000(4) 0.2453(3) 0.2810(2) 0.0419(9) Uani 1 1 d . . .
N2 N 0.0472(4) 0.4040(3) 0.3039(2) 0.0392(9) Uani 1 1 d . . .
N3 N 0.2240(4) 0.2318(3) 0.3551(2) 0.0392(9) Uani 1 1 d . . .
N4 N 0.1147(4) 0.0858(3) 0.3541(2) 0.0425(9) Uani 1 1 d . . .
N5 N 0.2573(4) 0.3224(3) 0.3551(2) 0.0430(9) Uani 1 1 d . . .
C1 C -0.0578(5) 0.4935(4) 0.2850(3) 0.0456(12) Uani 1 1 d . . .
H1 H -0.1349 0.4853 0.2692 0.055 Uiso 1 1 calc R . .
C2 C -0.0542(5) 0.5969(4) 0.2882(3) 0.0531(13) Uani 1 1 d . . .
H2 H -0.1282 0.6579 0.2755 0.064 Uiso 1 1 calc R . .
C3 C 0.0604(6) 0.6081(4) 0.3106(3) 0.0567(13) Uani 1 1 d . . .
H3 H 0.0665 0.6769 0.3106 0.068 Uiso 1 1 calc R . .
C4 C 0.1665(5) 0.5186(4) 0.3331(3) 0.0544(13) Uani 1 1 d . . .
H4 H 0.2435 0.5261 0.3496 0.065 Uiso 1 1 calc R . .
C5 C 0.1559(5) 0.4173(4) 0.3304(3) 0.0421(11) Uani 1 1 d . . .
C6 C 0.3483(5) 0.3318(3) 0.4106(3) 0.0424(11) Uani 1 1 d . . .
C7 C 0.4681(5) 0.3536(4) 0.3724(3) 0.0524(13) Uani 1 1 d . . .
H7 H 0.4949 0.3578 0.3108 0.063 Uiso 1 1 calc R . .
C8 C 0.5485(5) 0.3692(4) 0.4270(4) 0.0590(14) Uani 1 1 d . . .
H8 H 0.6278 0.3870 0.4024 0.071 Uiso 1 1 calc R . .
C9 C 0.5120(5) 0.3584(4) 0.5168(4) 0.0599(14) Uani 1 1 d . . .
H9 H 0.5666 0.3689 0.5532 0.072 Uiso 1 1 calc R . .
C10 C 0.3948(6) 0.3323(4) 0.5539(3) 0.0650(15) Uani 1 1 d . . .
H10 H 0.3722 0.3229 0.6149 0.078 Uiso 1 1 calc R . .
C11 C 0.3113(5) 0.3199(4) 0.5008(3) 0.0584(14) Uani 1 1 d . . .
H11 H 0.2307 0.3037 0.5256 0.070 Uiso 1 1 calc R . .
C12 C 0.2955(5) 0.1387(4) 0.3844(3) 0.0482(12) Uani 1 1 d . . .
H12 H 0.3781 0.1269 0.4041 0.058 Uiso 1 1 calc R . .
C13 C 0.2372(5) 0.0551(4) 0.3839(3) 0.0467(12) Uani 1 1 d . . .
C14 C 0.2954(5) -0.0480(4) 0.4143(3) 0.0609(14) Uani 1 1 d . . .
H14 H 0.3806 -0.0696 0.4330 0.073 Uiso 1 1 calc R . .
C15 C 0.2239(6) -0.1178(4) 0.4161(3) 0.0763(17) Uani 1 1 d . . .
H15 H 0.2602 -0.1871 0.4374 0.092 Uiso 1 1 calc R . .
C16 C 0.1024(6) -0.0872(4) 0.3876(3) 0.0687(15) Uani 1 1 d . . .
H16 H 0.0548 -0.1348 0.3887 0.082 Uiso 1 1 calc R . .
C17 C 0.0487(5) 0.0167(4) 0.3563(3) 0.0569(13) Uani 1 1 d . . .
H17 H -0.0354 0.0382 0.3365 0.068 Uiso 1 1 calc R . .
C18 C 0.1335(7) 0.0095(5) 0.1302(4) 0.0918(19) Uani 1 1 d . . .
H18 H 0.0458 0.0644 0.1268 0.110 Uiso 1 1 calc R . .
C19 C 0.1533(8) -0.1016(6) 0.1209(4) 0.106(2) Uani 1 1 d . . .
H19 H 0.0786 -0.1205 0.1131 0.127 Uiso 1 1 calc R . .
C20 C 0.2816(10) -0.1808(6) 0.1234(4) 0.105(2) Uani 1 1 d . . .
H20 H 0.2960 -0.2548 0.1170 0.127 Uiso 1 1 calc R . .
C21 C 0.3860(9) -0.1536(6) 0.1349(6) 0.132(3) Uani 1 1 d . . .
H21 H 0.4741 -0.2095 0.1363 0.159 Uiso 1 1 calc R . .
C22 C 0.3702(7) -0.0439(5) 0.1451(4) 0.106(2) Uani 1 1 d . . .
H22 H 0.4468 -0.0272 0.1525 0.127 Uiso 1 1 calc R . .
C23 C 0.2409(6) 0.0387(4) 0.1440(3) 0.0525(13) Uani 1 1 d . . .
C24 C 0.3535(5) 0.2168(4) 0.1416(3) 0.0484(12) Uani 1 1 d . . .
C25 C 0.4773(6) 0.1559(4) 0.1673(3) 0.0688(15) Uani 1 1 d . . .
H25 H 0.4830 0.0926 0.1969 0.083 Uiso 1 1 calc R . .
C26 C 0.5942(7) 0.1874(6) 0.1500(4) 0.092(2) Uani 1 1 d . . .
H26 H 0.6787 0.1433 0.1656 0.111 Uiso 1 1 calc R . .
C27 C 0.5867(8) 0.2818(7) 0.1105(4) 0.099(2) Uani 1 1 d . . .
H27 H 0.6645 0.3034 0.1004 0.119 Uiso 1 1 calc R . .
C28 C 0.4645(8) 0.3441(6) 0.0859(4) 0.100(2) Uani 1 1 d . . .
H28 H 0.4590 0.4086 0.0584 0.120 Uiso 1 1 calc R . .
C29 C 0.3478(6) 0.3131(5) 0.1013(3) 0.0778(16) Uani 1 1 d . . .
H29 H 0.2645 0.3573 0.0844 0.093 Uiso 1 1 calc R . .
C30 C 0.1780(6) 0.1975(5) -0.0112(3) 0.0797(18) Uani 1 1 d . . .
H30 H 0.2653 0.1364 -0.0228 0.096 Uiso 1 1 calc R . .
C31 C 0.1167(8) 0.2419(6) -0.0809(4) 0.099(2) Uani 1 1 d . . .
H31 H 0.1631 0.2111 -0.1395 0.119 Uiso 1 1 calc R . .
C32 C -0.0120(8) 0.3308(6) -0.0632(4) 0.094(2) Uani 1 1 d . . .
H32 H -0.0541 0.3593 -0.1100 0.112 Uiso 1 1 calc R . .
C33 C -0.0794(6) 0.3783(5) 0.0210(4) 0.0808(18) Uani 1 1 d . . .
H33 H -0.1662 0.4400 0.0320 0.097 Uiso 1 1 calc R . .
C34 C -0.0188(5) 0.3349(4) 0.0904(3) 0.0603(14) Uani 1 1 d . . .
H34 H -0.0657 0.3676 0.1484 0.072 Uiso 1 1 calc R . .
C35 C 0.1089(5) 0.2444(4) 0.0761(3) 0.0488(12) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ru1 0.0368(2) 0.0386(2) 0.0394(2) 0.00313(16) -0.01289(17) -0.01274(16)
Cl1 0.0553(8) 0.0591(8) 0.0415(7) 0.0018(6) -0.0063(6) -0.0209(6)
Cl2 0.0738(10) 0.0646(10) 0.0710(10) 0.0161(8) -0.0310(8) -0.0276(8)
Cl3 0.0603(9) 0.0671(10) 0.0981(12) -0.0048(9) -0.0154(9) -0.0220(8)
P1 0.0452(8) 0.0431(7) 0.0423(7) -0.0005(6) -0.0101(6) -0.0159(6)
O1 0.058(2) 0.070(2) 0.083(3) 0.0047(19) -0.027(2) -0.0270(19)
O2 0.164(4) 0.087(3) 0.079(3) 0.004(2) -0.073(3) -0.017(3)
O3 0.082(3) 0.069(3) 0.109(3) 0.039(2) -0.040(2) -0.025(2)
O4 0.153(4) 0.096(3) 0.158(4) 0.050(3) -0.091(3) -0.081(3)
O5 0.079(3) 0.123(4) 0.126(4) 0.033(3) -0.005(3) -0.018(3)
O6 0.118(4) 0.157(5) 0.188(5) -0.008(4) -0.080(4) -0.067(3)
O7 0.110(8) 0.062(5) 0.191(11) 0.069(6) -0.080(8) -0.005(5)
O8 0.098(5) 0.091(4) 0.191(6) -0.020(4) -0.036(4) -0.012(3)
O8' 0.098(5) 0.091(4) 0.191(6) -0.020(4) -0.036(4) -0.012(3)
O9 0.098(5) 0.091(4) 0.191(6) -0.020(4) -0.036(4) -0.012(3)
O9' 0.098(5) 0.091(4) 0.191(6) -0.020(4) -0.036(4) -0.012(3)
O7' 0.173(11) 0.288(15) 0.050(6) -0.006(7) 0.009(6) -0.161(11)
N1 0.041(2) 0.039(2) 0.051(2) 0.0015(17) -0.019(2) -0.0166(18)
N2 0.040(2) 0.038(2) 0.038(2) 0.0044(16) -0.0122(18) -0.0113(18)
N3 0.044(2) 0.039(2) 0.037(2) 0.0026(17) -0.0100(18) -0.0189(18)
N4 0.041(2) 0.044(2) 0.043(2) 0.0069(17) -0.0158(19) -0.0152(19)
N5 0.044(2) 0.041(2) 0.048(2) 0.0043(18) -0.0182(19) -0.0167(19)
C1 0.050(3) 0.045(3) 0.043(3) 0.002(2) -0.014(2) -0.019(2)
C2 0.056(3) 0.048(3) 0.049(3) 0.001(2) -0.012(3) -0.015(3)
C3 0.069(4) 0.035(3) 0.067(3) 0.007(2) -0.020(3) -0.020(3)
C4 0.061(3) 0.053(3) 0.057(3) 0.002(2) -0.022(3) -0.026(3)
C5 0.049(3) 0.040(3) 0.037(3) 0.001(2) -0.010(2) -0.018(2)
C6 0.038(3) 0.047(3) 0.047(3) -0.001(2) -0.015(2) -0.018(2)
C7 0.047(3) 0.054(3) 0.051(3) -0.003(2) -0.009(3) -0.015(2)
C8 0.041(3) 0.063(3) 0.075(4) -0.015(3) -0.019(3) -0.019(2)
C9 0.052(3) 0.057(3) 0.072(4) -0.015(3) -0.033(3) -0.013(3)
C10 0.071(4) 0.080(4) 0.047(3) -0.005(3) -0.023(3) -0.028(3)
C11 0.054(3) 0.079(4) 0.047(3) -0.002(3) -0.012(3) -0.031(3)
C12 0.041(3) 0.053(3) 0.047(3) -0.001(2) -0.015(2) -0.011(2)
C13 0.043(3) 0.047(3) 0.049(3) 0.006(2) -0.013(2) -0.014(2)
C14 0.059(3) 0.048(3) 0.076(4) 0.020(3) -0.030(3) -0.015(3)
C15 0.086(4) 0.052(4) 0.104(5) 0.029(3) -0.042(4) -0.031(3)
C16 0.073(4) 0.046(3) 0.101(4) 0.017(3) -0.037(3) -0.029(3)
C17 0.056(3) 0.051(3) 0.071(4) 0.006(3) -0.023(3) -0.024(3)
C18 0.084(5) 0.055(4) 0.131(5) -0.022(4) -0.020(4) -0.025(3)
C19 0.104(6) 0.088(5) 0.133(6) -0.023(5) -0.010(5) -0.054(5)
C20 0.139(7) 0.052(4) 0.120(6) -0.001(4) -0.025(5) -0.035(5)
C21 0.110(6) 0.049(5) 0.237(9) 0.001(5) -0.070(6) -0.013(4)
C22 0.089(5) 0.053(4) 0.176(7) -0.005(4) -0.048(5) -0.020(4)
C23 0.058(3) 0.044(3) 0.052(3) -0.005(2) -0.006(3) -0.021(3)
C24 0.046(3) 0.055(3) 0.040(3) -0.001(2) -0.008(2) -0.016(2)
C25 0.055(4) 0.079(4) 0.080(4) 0.004(3) -0.019(3) -0.033(3)
C26 0.061(4) 0.129(6) 0.096(5) -0.010(4) -0.024(4) -0.044(4)
C27 0.095(6) 0.165(8) 0.072(5) 0.002(5) -0.015(4) -0.093(6)
C28 0.115(6) 0.133(6) 0.094(5) 0.040(4) -0.038(5) -0.087(5)
C29 0.081(4) 0.095(5) 0.081(4) 0.020(3) -0.027(3) -0.056(4)
C30 0.087(4) 0.092(4) 0.049(3) -0.002(3) -0.013(3) -0.024(3)
C31 0.128(6) 0.123(6) 0.035(3) 0.000(4) -0.019(4) -0.036(5)
C32 0.110(6) 0.120(6) 0.060(4) 0.034(4) -0.036(4) -0.048(5)
C33 0.090(5) 0.092(4) 0.054(4) 0.024(3) -0.024(4) -0.027(4)
C34 0.072(4) 0.071(4) 0.033(3) 0.010(3) -0.015(3) -0.022(3)
C35 0.053(3) 0.060(3) 0.035(3) 0.000(2) -0.006(2) -0.026(3)

_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 N1 1.731(4) . ?
Ru1 N3 2.002(4) . ?
Ru1 N2 2.077(3) . ?
Ru1 N4 2.082(3) . ?
Ru1 Cl1 2.3858(12) . ?
Ru1 P1 2.4057(13) . ?
Cl2 O5 1.392(4) . ?
Cl2 O2 1.393(3) . ?
Cl2 O4 1.426(4) . ?
Cl2 O3 1.447(3) . ?
Cl3 O9' 1.4095(11) . ?
Cl3 O8 1.4096(11) . ?
Cl3 O7' 1.4098(11) . ?
Cl3 O7 1.4099(10) . ?
Cl3 O8' 1.4100(11) . ?
Cl3 O6 1.4101(10) . ?
Cl3 O9 1.4104(11) . ?
P1 C24 1.792(5) . ?
P1 C35 1.806(5) . ?
P1 C23 1.806(5) . ?
O1 N1 1.142(4) . ?
N2 C1 1.345(5) . ?
N2 C5 1.353(5) . ?
N3 C12 1.302(5) . ?
N3 N5 1.360(4) . ?
N4 C17 1.324(5) . ?
N4 C13 1.361(5) . ?
N5 C5 1.405(5) . ?
N5 C6 1.451(5) . ?
C1 C2 1.376(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.368(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.373(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.380(6) . ?
C4 H4 0.9300 . ?
C6 C7 1.371(6) . ?
C6 C11 1.374(5) . ?
C7 C8 1.381(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.365(6) . ?
C8 H8 0.9300 . ?
C9 C10 1.376(6) . ?
C9 H9 0.9300 . ?
C10 C11 1.375(6) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C13 1.442(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.382(6) . ?
C14 C15 1.378(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.342(6) . ?
C15 H15 0.9300 . ?
C16 C17 1.390(6) . ?
C16 H16 0.9300 . ?
C17 H17 0.9300 . ?
C18 C23 1.366(7) . ?
C18 C19 1.401(8) . ?
C18 H18 0.9300 . ?
C19 C20 1.344(8) . ?
C19 H19 0.9300 . ?
C20 C21 1.308(9) . ?
C20 H20 0.9300 . ?
C21 C22 1.396(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.365(7) . ?
C22 H22 0.9300 . ?
C24 C25 1.372(6) . ?
C24 C29 1.388(6) . ?
C25 C26 1.388(7) . ?
C25 H25 0.9300 . ?
C26 C27 1.357(8) . ?
C26 H26 0.9300 . ?
C27 C28 1.354(8) . ?
C27 H27 0.9300 . ?
C28 C29 1.384(7) . ?
C28 H28 0.9300 . ?
C29 H29 0.9300 . ?
C30 C31 1.384(7) . ?
C30 C35 1.389(5) . ?
C30 H30 0.9300 . ?
C31 C32 1.363(7) . ?
C31 H31 0.9300 . ?
C32 C33 1.349(6) . ?
C32 H32 0.9300 . ?
C33 C34 1.373(6) . ?
C33 H33 0.9300 . ?
C34 C35 1.368(6) . ?
C34 H34 0.9300 . ?

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 Ru1 N3 174.57(16) . . ?
N1 Ru1 N2 107.71(15) . . ?
N3 Ru1 N2 77.71(15) . . ?
N1 Ru1 N4 96.44(16) . . ?
N3 Ru1 N4 78.17(15) . . ?
N2 Ru1 N4 155.39(14) . . ?
N1 Ru1 Cl1 96.39(12) . . ?
N3 Ru1 Cl1 84.13(9) . . ?
N2 Ru1 Cl1 85.07(9) . . ?
N4 Ru1 Cl1 87.70(9) . . ?
N1 Ru1 P1 89.88(12) . . ?
N3 Ru1 P1 89.68(9) . . ?
N2 Ru1 P1 92.53(9) . . ?
N4 Ru1 P1 92.14(9) . . ?
Cl1 Ru1 P1 173.71(5) . . ?
O5 Cl2 O2 110.5(3) . . ?
O5 Cl2 O4 109.4(3) . . ?
O2 Cl2 O4 109.3(3) . . ?
O5 Cl2 O3 110.0(2) . . ?
O2 Cl2 O3 110.1(2) . . ?
O4 Cl2 O3 107.5(2) . . ?
O9' Cl3 O8 102.3(6) . . ?
O9' Cl3 O7' 125.5(8) . . ?
O8 Cl3 O7' 106.9(7) . . ?
O9' Cl3 O7 57.2(5) . . ?
O8 Cl3 O7 118.7(6) . . ?
O7' Cl3 O7 68.4(6) . . ?
O9' Cl3 O8' 136.5(6) . . ?
O8 Cl3 O8' 40.1(5) . . ?
O7' Cl3 O8' 69.2(6) . . ?
O7 Cl3 O8' 114.3(6) . . ?
O9' Cl3 O6 107.2(5) . . ?
O8 Cl3 O6 117.8(5) . . ?
O7' Cl3 O6 98.4(5) . . ?
O7 Cl3 O6 123.4(5) . . ?
O8' Cl3 O6 110.5(5) . . ?
O9' Cl3 O9 57.0(5) . . ?
O8 Cl3 O9 56.2(5) . . ?
O7' Cl3 O9 160.2(6) . . ?
O7 Cl3 O9 108.8(6) . . ?
O8' Cl3 O9 95.9(7) . . ?
O6 Cl3 O9 99.1(5) . . ?
C24 P1 C35 104.0(2) . . ?
C24 P1 C23 112.0(2) . . ?
C35 P1 C23 103.4(2) . . ?
C24 P1 Ru1 112.53(14) . . ?
C35 P1 Ru1 115.44(15) . . ?
C23 P1 Ru1 109.08(15) . . ?
O1 N1 Ru1 173.7(4) . . ?
C1 N2 C5 118.7(4) . . ?
C1 N2 Ru1 126.6(3) . . ?
C5 N2 Ru1 114.1(3) . . ?
C12 N3 N5 123.7(4) . . ?
C12 N3 Ru1 118.4(3) . . ?
N5 N3 Ru1 117.8(3) . . ?
C17 N4 C13 119.4(4) . . ?
C17 N4 Ru1 127.4(3) . . ?
C13 N4 Ru1 113.1(3) . . ?
N3 N5 C5 113.9(4) . . ?
N3 N5 C6 120.5(3) . . ?
C5 N5 C6 120.6(4) . . ?
N2 C1 C2 121.8(4) . . ?
N2 C1 H1 119.1 . . ?
C2 C1 H1 119.1 . . ?
C3 C2 C1 118.8(4) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C2 C3 C4 120.5(5) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C3 C4 C5 118.2(5) . . ?
C3 C4 H4 120.9 . . ?
C5 C4 H4 120.9 . . ?
N2 C5 C4 121.8(4) . . ?
N2 C5 N5 116.4(4) . . ?
C4 C5 N5 121.8(5) . . ?
C7 C6 C11 121.3(4) . . ?
C7 C6 N5 119.6(4) . . ?
C11 C6 N5 119.1(4) . . ?
C6 C7 C8 119.0(5) . . ?
C6 C7 H7 120.5 . . ?
C8 C7 H7 120.5 . . ?
C9 C8 C7 120.1(5) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C8 C9 C10 120.4(5) . . ?
C8 C9 H9 119.8 . . ?
C10 C9 H9 119.8 . . ?
C11 C10 C9 120.0(5) . . ?
C11 C10 H10 120.0 . . ?
C9 C10 H10 120.0 . . ?
C6 C11 C10 119.1(5) . . ?
C6 C11 H11 120.4 . . ?
C10 C11 H11 120.4 . . ?
N3 C12 C13 115.0(4) . . ?
N3 C12 H12 122.5 . . ?
C13 C12 H12 122.5 . . ?
N4 C13 C14 121.0(5) . . ?
N4 C13 C12 115.3(4) . . ?
C14 C13 C12 123.7(5) . . ?
C15 C14 C13 118.1(5) . . ?
C15 C14 H14 120.9 . . ?
C13 C14 H14 120.9 . . ?
C16 C15 C14 120.9(5) . . ?
C16 C15 H15 119.6 . . ?
C14 C15 H15 119.6 . . ?
C15 C16 C17 119.0(5) . . ?
C15 C16 H16 120.5 . . ?
C17 C16 H16 120.5 . . ?
N4 C17 C16 121.5(5) . . ?
N4 C17 H17 119.2 . . ?
C16 C17 H17 119.2 . . ?
C23 C18 C19 121.1(6) . . ?
C23 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C20 C19 C18 119.3(7) . . ?
C20 C19 H19 120.4 . . ?
C18 C19 H19 120.4 . . ?
C21 C20 C19 120.0(7) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 122.4(7) . . ?
C20 C21 H21 118.8 . . ?
C22 C21 H21 118.8 . . ?
C23 C22 C21 119.2(6) . . ?
C23 C22 H22 120.4 . . ?
C21 C22 H22 120.4 . . ?
C22 C23 C18 118.0(5) . . ?
C22 C23 P1 125.6(5) . . ?
C18 C23 P1 116.4(4) . . ?
C25 C24 C29 117.4(5) . . ?
C25 C24 P1 123.9(4) . . ?
C29 C24 P1 118.5(4) . . ?
C24 C25 C26 120.9(6) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
C27 C26 C25 120.8(6) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C28 C27 C26 119.2(7) . . ?
C28 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?
C27 C28 C29 120.8(6) . . ?
C27 C28 H28 119.6 . . ?
C29 C28 H28 119.6 . . ?
C28 C29 C24 120.8(6) . . ?
C28 C29 H29 119.6 . . ?
C24 C29 H29 119.6 . . ?
C31 C30 C35 119.9(5) . . ?
C31 C30 H30 120.0 . . ?
C35 C30 H30 120.0 . . ?
C32 C31 C30 119.6(5) . . ?
C32 C31 H31 120.2 . . ?
C30 C31 H31 120.2 . . ?
C33 C32 C31 121.2(6) . . ?
C33 C32 H32 119.4 . . ?
C31 C32 H32 119.4 . . ?
C32 C33 C34 119.4(5) . . ?
C32 C33 H33 120.3 . . ?
C34 C33 H33 120.3 . . ?
C35 C34 C33 121.6(5) . . ?
C35 C34 H34 119.2 . . ?
C33 C34 H34 119.2 . . ?
C34 C35 C30 118.3(4) . . ?
C34 C35 P1 123.7(3) . . ?
C30 C35 P1 118.0(4) . . ?

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
N1 Ru1 P1 C24 157.8(2) . . . . ?
N3 Ru1 P1 C24 -27.6(2) . . . . ?
N2 Ru1 P1 C24 50.1(2) . . . . ?
N4 Ru1 P1 C24 -105.7(2) . . . . ?
Cl1 Ru1 P1 C24 -17.3(5) . . . . ?
N1 Ru1 P1 C35 38.7(2) . . . . ?
N3 Ru1 P1 C35 -146.7(2) . . . . ?
N2 Ru1 P1 C35 -69.0(2) . . . . ?
N4 Ru1 P1 C35 135.1(2) . . . . ?
Cl1 Ru1 P1 C35 -136.4(4) . . . . ?
N1 Ru1 P1 C23 -77.2(2) . . . . ?
N3 Ru1 P1 C23 97.4(2) . . . . ?
N2 Ru1 P1 C23 175.1(2) . . . . ?
N4 Ru1 P1 C23 19.3(2) . . . . ?
Cl1 Ru1 P1 C23 107.7(5) . . . . ?
N3 Ru1 N1 O1 -9(4) . . . . ?
N2 Ru1 N1 O1 169(3) . . . . ?
N4 Ru1 N1 O1 -16(3) . . . . ?
Cl1 Ru1 N1 O1 -104(3) . . . . ?
P1 Ru1 N1 O1 76(3) . . . . ?
N1 Ru1 N2 C1 7.5(3) . . . . ?
N3 Ru1 N2 C1 -172.7(3) . . . . ?
N4 Ru1 N2 C1 -161.1(3) . . . . ?
Cl1 Ru1 N2 C1 -87.7(3) . . . . ?
P1 Ru1 N2 C1 98.2(3) . . . . ?
N1 Ru1 N2 C5 178.4(3) . . . . ?
N3 Ru1 N2 C5 -1.8(3) . . . . ?
N4 Ru1 N2 C5 9.9(4) . . . . ?
Cl1 Ru1 N2 C5 83.3(3) . . . . ?
P1 Ru1 N2 C5 -90.9(3) . . . . ?
N1 Ru1 N3 C12 -6.5(17) . . . . ?
N2 Ru1 N3 C12 175.6(3) . . . . ?
N4 Ru1 N3 C12 0.5(3) . . . . ?
Cl1 Ru1 N3 C12 89.4(3) . . . . ?
P1 Ru1 N3 C12 -91.8(3) . . . . ?
N1 Ru1 N3 N5 177.1(14) . . . . ?
N2 Ru1 N3 N5 -0.9(2) . . . . ?
N4 Ru1 N3 N5 -176.0(3) . . . . ?
Cl1 Ru1 N3 N5 -87.1(2) . . . . ?
P1 Ru1 N3 N5 91.8(2) . . . . ?
N1 Ru1 N4 C17 -4.7(4) . . . . ?
N3 Ru1 N4 C17 176.0(4) . . . . ?
N2 Ru1 N4 C17 164.4(3) . . . . ?
Cl1 Ru1 N4 C17 91.5(3) . . . . ?
P1 Ru1 N4 C17 -94.8(3) . . . . ?
N1 Ru1 N4 C13 178.4(3) . . . . ?
N3 Ru1 N4 C13 -0.9(3) . . . . ?
N2 Ru1 N4 C13 -12.5(5) . . . . ?
Cl1 Ru1 N4 C13 -85.4(3) . . . . ?
P1 Ru1 N4 C13 88.3(3) . . . . ?
C12 N3 N5 C5 -172.9(3) . . . . ?
Ru1 N3 N5 C5 3.3(4) . . . . ?
C12 N3 N5 C6 -17.7(5) . . . . ?
Ru1 N3 N5 C6 158.5(3) . . . . ?
C5 N2 C1 C2 2.8(6) . . . . ?
Ru1 N2 C1 C2 173.4(3) . . . . ?
N2 C1 C2 C3 0.6(6) . . . . ?
C1 C2 C3 C4 -2.7(7) . . . . ?
C2 C3 C4 C5 1.4(7) . . . . ?
C1 N2 C5 C4 -4.1(6) . . . . ?
Ru1 N2 C5 C4 -175.8(3) . . . . ?
C1 N2 C5 N5 175.9(3) . . . . ?
Ru1 N2 C5 N5 4.1(4) . . . . ?
C3 C4 C5 N2 2.0(6) . . . . ?
C3 C4 C5 N5 -177.9(4) . . . . ?
N3 N5 C5 N2 -4.9(5) . . . . ?
C6 N5 C5 N2 -160.0(4) . . . . ?
N3 N5 C5 C4 175.1(4) . . . . ?
C6 N5 C5 C4 20.0(6) . . . . ?
N3 N5 C6 C7 127.1(4) . . . . ?
C5 N5 C6 C7 -79.3(5) . . . . ?
N3 N5 C6 C11 -53.7(5) . . . . ?
C5 N5 C6 C11 99.9(5) . . . . ?
C11 C6 C7 C8 -3.2(6) . . . . ?
N5 C6 C7 C8 176.0(4) . . . . ?
C6 C7 C8 C9 2.6(7) . . . . ?
C7 C8 C9 C10 -0.1(7) . . . . ?
C8 C9 C10 C11 -1.9(7) . . . . ?
C7 C6 C11 C10 1.2(7) . . . . ?
N5 C6 C11 C10 -178.0(4) . . . . ?
C9 C10 C11 C6 1.3(7) . . . . ?
N5 N3 C12 C13 176.2(3) . . . . ?
Ru1 N3 C12 C13 0.0(5) . . . . ?
C17 N4 C13 C14 1.6(6) . . . . ?
Ru1 N4 C13 C14 178.8(3) . . . . ?
C17 N4 C13 C12 -176.0(4) . . . . ?
Ru1 N4 C13 C12 1.2(4) . . . . ?
N3 C12 C13 N4 -0.8(5) . . . . ?
N3 C12 C13 C14 -178.4(4) . . . . ?
N4 C13 C14 C15 -1.8(7) . . . . ?
C12 C13 C14 C15 175.5(4) . . . . ?
C13 C14 C15 C16 1.2(8) . . . . ?
C14 C15 C16 C17 -0.3(8) . . . . ?
C13 N4 C17 C16 -0.7(6) . . . . ?
Ru1 N4 C17 C16 -177.4(3) . . . . ?
C15 C16 C17 N4 0.0(7) . . . . ?
C23 C18 C19 C20 -1.7(10) . . . . ?
C18 C19 C20 C21 0.3(11) . . . . ?
C19 C20 C21 C22 0.2(13) . . . . ?
C20 C21 C22 C23 0.6(12) . . . . ?
C21 C22 C23 C18 -1.9(9) . . . . ?
C21 C22 C23 P1 175.3(5) . . . . ?
C19 C18 C23 C22 2.5(9) . . . . ?
C19 C18 C23 P1 -175.0(4) . . . . ?
C24 P1 C23 C22 23.6(5) . . . . ?
C35 P1 C23 C22 135.0(5) . . . . ?
Ru1 P1 C23 C22 -101.7(5) . . . . ?
C24 P1 C23 C18 -159.2(4) . . . . ?
C35 P1 C23 C18 -47.8(5) . . . . ?
Ru1 P1 C23 C18 75.6(4) . . . . ?
C35 P1 C24 C25 -154.2(4) . . . . ?
C23 P1 C24 C25 -43.1(4) . . . . ?
Ru1 P1 C24 C25 80.2(4) . . . . ?
C35 P1 C24 C29 30.5(4) . . . . ?
C23 P1 C24 C29 141.6(4) . . . . ?
Ru1 P1 C24 C29 -95.1(4) . . . . ?
C29 C24 C25 C26 -2.8(7) . . . . ?
P1 C24 C25 C26 -178.1(4) . . . . ?
C24 C25 C26 C27 2.8(9) . . . . ?
C25 C26 C27 C28 -1.6(10) . . . . ?
C26 C27 C28 C29 0.5(10) . . . . ?
C27 C28 C29 C24 -0.6(9) . . . . ?
C25 C24 C29 C28 1.7(8) . . . . ?
P1 C24 C29 C28 177.3(4) . . . . ?
C35 C30 C31 C32 -0.6(10) . . . . ?
C30 C31 C32 C33 1.6(10) . . . . ?
C31 C32 C33 C34 -1.3(10) . . . . ?
C32 C33 C34 C35 0.2(8) . . . . ?
C33 C34 C35 C30 0.7(8) . . . . ?
C33 C34 C35 P1 179.0(4) . . . . ?
C31 C30 C35 C34 -0.5(8) . . . . ?
C31 C30 C35 P1 -178.9(5) . . . . ?
C24 P1 C35 C34 -110.1(4) . . . . ?
C23 P1 C35 C34 132.7(4) . . . . ?
Ru1 P1 C35 C34 13.7(5) . . . . ?
C24 P1 C35 C30 68.2(4) . . . . ?
C23 P1 C35 C30 -49.0(4) . . . . ?
Ru1 P1 C35 C30 -168.0(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        27.68
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         1.158
_refine_diff_density_min         -0.625
_refine_diff_density_rms         0.102


_database_code_depnum_ccdc_archive 'CCDC 880433'