# Electronic Supplementary Material (ESI) for Chemical Communications
# 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_Gunanathan_1
#TrackingRef '19257_web_deposit_cif_file_0_ChidambaramGunanathan_1365267847.cg147_1r_0m.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H29 Cl3 Ru2'
_chemical_formula_weight         577.92

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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   'Pbca '

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

_cell_length_a                   13.6640(6)
_cell_length_b                   15.9211(7)
_cell_length_c                   19.2494(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4187.6(3)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    9786
_cell_measurement_theta_min      2.23
_cell_measurement_theta_max      30.53

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.833
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2304
_exptl_absorpt_coefficient_mu    1.827
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6153
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      296(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  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            72584
_diffrn_reflns_av_R_equivalents  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0217
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.12
_diffrn_reflns_theta_max         30.55
_reflns_number_total             6414
_reflns_number_gt                5592
_reflns_threshold_expression     >2\s(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT A'
_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^ > 2\s(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^)+(0.0197P)^2^+1.7235P] 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         6414
_refine_ls_number_parameters     268
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0260
_refine_ls_R_factor_gt           0.0195
_refine_ls_wR_factor_ref         0.0447
_refine_ls_wR_factor_gt          0.0424
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.037
_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 0.368484(8) 0.215353(8) 0.693686(6) 0.01032(3) Uani 1 1 d . . .
Ru2 Ru 0.441820(8) 0.240529(8) 0.551072(6) 0.01074(3) Uani 1 1 d . . .
Cl1 Cl 0.21730(3) 0.16358(3) 0.64613(2) 0.01783(8) Uani 1 1 d . . .
Cl3 Cl 0.45524(3) 0.11626(3) 0.62180(2) 0.01777(8) Uani 1 1 d . . .
Cl2 Cl 0.59079(3) 0.29360(3) 0.60211(2) 0.02289(9) Uani 1 1 d . . .
C1 C 0.42940(12) 0.16855(11) 0.79312(8) 0.0156(3) Uani 1 1 d . . .
C2 C 0.32982(12) 0.18777(11) 0.80271(8) 0.0161(3) Uani 1 1 d . . .
C3 C 0.29115(11) 0.26700(11) 0.78255(8) 0.0151(3) Uani 1 1 d . . .
C4 C 0.35099(11) 0.33009(10) 0.75377(8) 0.0130(3) Uani 1 1 d . . .
C7 C 0.31112(12) 0.41392(10) 0.73012(9) 0.0165(3) Uani 1 1 d . . .
H5 H 0.3507 0.4329 0.6907 0.020 Uiso 1 1 calc R . .
C9 C 0.32262(15) 0.47810(12) 0.78840(11) 0.0289(4) Uani 1 1 d . . .
H6A H 0.2839 0.4612 0.8276 0.043 Uiso 1 1 calc R . .
H6B H 0.3011 0.5321 0.7724 0.043 Uiso 1 1 calc R . .
H6C H 0.3902 0.4813 0.8019 0.043 Uiso 1 1 calc R . .
C8 C 0.20455(13) 0.41055(13) 0.70660(10) 0.0251(4) Uani 1 1 d . . .
H7A H 0.1961 0.3652 0.6743 0.038 Uiso 1 1 calc R . .
H7B H 0.1875 0.4626 0.6845 0.038 Uiso 1 1 calc R . .
H7C H 0.1631 0.4018 0.7462 0.038 Uiso 1 1 calc R . .
C5 C 0.45274(11) 0.31097(10) 0.74516(8) 0.0137(3) Uani 1 1 d . . .
C6 C 0.49092(11) 0.23205(10) 0.76402(8) 0.0144(3) Uani 1 1 d . . .
C10 C 0.46956(13) 0.08256(11) 0.80819(9) 0.0215(4) Uani 1 1 d . . .
H10A H 0.4189 0.0480 0.8276 0.032 Uiso 1 1 calc R . .
H10B H 0.5226 0.0871 0.8407 0.032 Uiso 1 1 calc R . .
H10C H 0.4929 0.0577 0.7659 0.032 Uiso 1 1 calc R . .
C11 C 0.45162(11) 0.33218(11) 0.46896(8) 0.0147(3) Uani 1 1 d . . .
C12 C 0.50049(11) 0.25787(10) 0.44588(8) 0.0144(3) Uani 1 1 d . . .
C13 C 0.45310(11) 0.17973(11) 0.44731(8) 0.0148(3) Uani 1 1 d . . .
C14 C 0.35441(11) 0.17708(11) 0.47266(8) 0.0146(3) Uani 1 1 d . . .
C15 C 0.30576(11) 0.25014(10) 0.49354(8) 0.0140(3) Uani 1 1 d . . .
C16 C 0.35383(11) 0.32967(10) 0.49223(8) 0.0135(3) Uani 1 1 d . . .
C17 C 0.29879(12) 0.40603(11) 0.51768(9) 0.0175(3) Uani 1 1 d . . .
H17 H 0.2624 0.3896 0.5594 0.021 Uiso 1 1 calc R . .
C18 C 0.36450(14) 0.47986(12) 0.53704(11) 0.0274(4) Uani 1 1 d . . .
H18A H 0.4143 0.4612 0.5687 0.041 Uiso 1 1 calc R . .
H18B H 0.3260 0.5229 0.5588 0.041 Uiso 1 1 calc R . .
H18C H 0.3946 0.5020 0.4959 0.041 Uiso 1 1 calc R . .
C19 C 0.22412(13) 0.43145(12) 0.46227(10) 0.0246(4) Uani 1 1 d . . .
H19A H 0.2579 0.4517 0.4219 0.037 Uiso 1 1 calc R . .
H19B H 0.1826 0.4750 0.4803 0.037 Uiso 1 1 calc R . .
H19C H 0.1850 0.3836 0.4500 0.037 Uiso 1 1 calc R . .
C20 C 0.50547(13) 0.10091(12) 0.42666(10) 0.0221(4) Uani 1 1 d . . .
H20A H 0.4959 0.0909 0.3780 0.033 Uiso 1 1 calc R . .
H20B H 0.4800 0.0544 0.4528 0.033 Uiso 1 1 calc R . .
H20C H 0.5741 0.1069 0.4360 0.033 Uiso 1 1 calc R . .
H123 H 0.3766(15) 0.2788(14) 0.6198(12) 0.032(6) Uiso 1 1 d . . .
H2 H 0.2871(14) 0.1468(13) 0.8186(10) 0.018(5) Uiso 1 1 d . . .
H9 H 0.5539(13) 0.2204(11) 0.7527(9) 0.008(4) Uiso 1 1 d . . .
H15 H 0.2403(14) 0.2454(12) 0.5137(10) 0.014(5) Uiso 1 1 d . . .
H12 H 0.5668(15) 0.2622(12) 0.4337(11) 0.021(5) Uiso 1 1 d . . .
H8 H 0.4919(13) 0.3480(12) 0.7214(9) 0.008(4) Uiso 1 1 d . . .
H14 H 0.3255(13) 0.1223(12) 0.4769(10) 0.016(5) Uiso 1 1 d . . .
H11 H 0.4862(14) 0.3834(13) 0.4716(10) 0.021(5) Uiso 1 1 d . . .
H3 H 0.2231(15) 0.2757(13) 0.7864(11) 0.024(5) Uiso 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 0.01111(5) 0.01197(6) 0.00786(6) -0.00049(4) 0.00011(4) -0.00055(4)
Ru2 0.01013(5) 0.01387(6) 0.00821(6) 0.00005(4) 0.00006(4) 0.00059(4)
Cl1 0.01587(16) 0.0232(2) 0.01441(18) -0.00172(15) -0.00130(14) -0.00654(14)
Cl3 0.02604(18) 0.01593(19) 0.01134(17) 0.00051(14) 0.00139(14) 0.00788(15)
Cl2 0.01218(15) 0.0435(3) 0.01295(18) -0.00119(17) -0.00077(13) -0.00542(16)
C1 0.0206(7) 0.0178(8) 0.0084(7) 0.0007(6) -0.0033(6) -0.0018(6)
C2 0.0194(7) 0.0194(8) 0.0095(7) 0.0000(6) 0.0019(6) -0.0047(6)
C3 0.0148(7) 0.0214(8) 0.0090(7) -0.0038(6) 0.0012(6) -0.0007(6)
C4 0.0142(6) 0.0160(8) 0.0088(7) -0.0035(6) 0.0003(5) -0.0006(6)
C7 0.0195(7) 0.0169(8) 0.0132(7) -0.0019(6) 0.0001(6) 0.0017(6)
C9 0.0405(11) 0.0205(9) 0.0256(10) -0.0085(8) -0.0042(8) 0.0055(8)
C8 0.0215(8) 0.0271(10) 0.0268(10) -0.0006(8) -0.0035(7) 0.0065(7)
C5 0.0132(6) 0.0163(8) 0.0117(7) -0.0028(6) -0.0005(6) -0.0034(6)
C6 0.0133(6) 0.0188(8) 0.0112(7) -0.0017(6) -0.0024(6) 0.0002(6)
C10 0.0276(8) 0.0193(9) 0.0176(8) 0.0017(7) -0.0047(7) 0.0020(7)
C11 0.0182(7) 0.0165(8) 0.0093(7) 0.0018(6) -0.0002(6) -0.0035(6)
C12 0.0134(6) 0.0220(8) 0.0077(7) 0.0006(6) 0.0004(5) -0.0004(6)
C13 0.0174(7) 0.0176(8) 0.0094(7) -0.0012(6) -0.0021(6) 0.0025(6)
C14 0.0162(7) 0.0144(8) 0.0131(7) -0.0005(6) -0.0032(6) -0.0030(6)
C15 0.0120(6) 0.0171(8) 0.0131(7) 0.0024(6) -0.0019(6) -0.0005(6)
C16 0.0167(7) 0.0157(8) 0.0080(7) 0.0007(6) -0.0016(5) 0.0019(6)
C17 0.0228(8) 0.0153(8) 0.0145(8) -0.0008(6) 0.0018(6) 0.0034(6)
C18 0.0370(10) 0.0179(9) 0.0274(10) -0.0081(7) 0.0007(8) 0.0014(8)
C19 0.0290(9) 0.0223(9) 0.0224(9) 0.0034(7) -0.0017(7) 0.0105(7)
C20 0.0249(8) 0.0221(9) 0.0195(8) -0.0039(7) -0.0009(7) 0.0067(7)

_geom_special_details            
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
and torsion angles; correlations between s.u.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s 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 C5 2.1505(15) . ?
Ru1 C6 2.1686(15) . ?
Ru1 C3 2.1723(16) . ?
Ru1 C4 2.1753(15) . ?
Ru1 C2 2.2083(16) . ?
Ru1 C1 2.2163(16) . ?
Ru1 Cl1 2.4052(4) . ?
Ru1 Cl3 2.4102(4) . ?
Ru1 Ru2 2.9498(2) . ?
Ru1 H123 1.75(2) . ?
Ru2 C11 2.1553(16) . ?
Ru2 C15 2.1693(15) . ?
Ru2 C14 2.1738(16) . ?
Ru2 C16 2.1778(15) . ?
Ru2 C12 2.1952(15) . ?
Ru2 C13 2.2249(16) . ?
Ru2 Cl3 2.4087(4) . ?
Ru2 Cl2 2.4130(4) . ?
Ru2 H123 1.71(2) . ?
C1 C2 1.407(2) . ?
C1 C6 1.429(2) . ?
C1 C10 1.503(2) . ?
C2 C3 1.422(2) . ?
C2 H2 0.93(2) . ?
C3 C4 1.409(2) . ?
C3 H3 0.94(2) . ?
C4 C5 1.433(2) . ?
C4 C7 1.512(2) . ?
C7 C9 1.526(2) . ?
C7 C8 1.526(2) . ?
C7 H5 0.9800 . ?
C9 H6A 0.9600 . ?
C9 H6B 0.9600 . ?
C9 H6C 0.9600 . ?
C8 H7A 0.9600 . ?
C8 H7B 0.9600 . ?
C8 H7C 0.9600 . ?
C5 C6 1.408(2) . ?
C5 H8 0.919(18) . ?
C6 H9 0.907(17) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C16 1.410(2) . ?
C11 C12 1.429(2) . ?
C11 H11 0.94(2) . ?
C12 C13 1.403(2) . ?
C12 H12 0.94(2) . ?
C13 C14 1.435(2) . ?
C13 C20 1.498(2) . ?
C14 C15 1.399(2) . ?
C14 H14 0.961(19) . ?
C15 C16 1.427(2) . ?
C15 H15 0.977(19) . ?
C16 C17 1.511(2) . ?
C17 C18 1.525(2) . ?
C17 C19 1.530(2) . ?
C17 H17 0.9800 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?

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
C5 Ru1 C6 38.05(6) . . ?
C5 Ru1 C3 68.26(6) . . ?
C6 Ru1 C3 80.63(6) . . ?
C5 Ru1 C4 38.68(5) . . ?
C6 Ru1 C4 69.50(6) . . ?
C3 Ru1 C4 37.81(6) . . ?
C5 Ru1 C2 80.27(6) . . ?
C6 Ru1 C2 67.39(6) . . ?
C3 Ru1 C2 37.86(6) . . ?
C4 Ru1 C2 68.62(6) . . ?
C5 Ru1 C1 68.84(6) . . ?
C6 Ru1 C1 38.02(6) . . ?
C3 Ru1 C1 68.28(6) . . ?
C4 Ru1 C1 82.21(6) . . ?
C2 Ru1 C1 37.08(6) . . ?
C5 Ru1 Cl1 151.38(4) . . ?
C6 Ru1 Cl1 160.43(4) . . ?
C3 Ru1 Cl1 90.67(4) . . ?
C4 Ru1 Cl1 113.32(4) . . ?
C2 Ru1 Cl1 95.05(4) . . ?
C1 Ru1 Cl1 122.42(4) . . ?
C5 Ru1 Cl3 117.68(4) . . ?
C6 Ru1 Cl3 93.40(4) . . ?
C3 Ru1 Cl3 159.91(5) . . ?
C4 Ru1 Cl3 155.37(4) . . ?
C2 Ru1 Cl3 122.22(5) . . ?
C1 Ru1 Cl3 95.22(4) . . ?
Cl1 Ru1 Cl3 88.831(15) . . ?
C5 Ru1 Ru2 98.67(4) . . ?
C6 Ru1 Ru2 107.60(4) . . ?
C3 Ru1 Ru2 147.85(5) . . ?
C4 Ru1 Ru2 114.71(4) . . ?
C2 Ru1 Ru2 173.11(5) . . ?
C1 Ru1 Ru2 136.21(4) . . ?
Cl1 Ru1 Ru2 89.089(11) . . ?
Cl3 Ru1 Ru2 52.233(10) . . ?
C5 Ru1 H123 86.1(7) . . ?
C6 Ru1 H123 112.8(7) . . ?
C3 Ru1 H123 116.9(7) . . ?
C4 Ru1 H123 87.4(7) . . ?
C2 Ru1 H123 154.6(7) . . ?
C1 Ru1 H123 150.8(7) . . ?
Cl1 Ru1 H123 86.7(7) . . ?
Cl3 Ru1 H123 83.1(7) . . ?
Ru2 Ru1 H123 31.0(7) . . ?
C11 Ru2 C15 68.35(6) . . ?
C11 Ru2 C14 80.76(6) . . ?
C15 Ru2 C14 37.58(6) . . ?
C11 Ru2 C16 37.97(6) . . ?
C15 Ru2 C16 38.32(6) . . ?
C14 Ru2 C16 68.80(6) . . ?
C11 Ru2 C12 38.35(6) . . ?
C15 Ru2 C12 80.40(6) . . ?
C14 Ru2 C12 67.58(6) . . ?
C16 Ru2 C12 68.89(6) . . ?
C11 Ru2 C13 68.40(6) . . ?
C15 Ru2 C13 68.39(6) . . ?
C14 Ru2 C13 38.05(6) . . ?
C16 Ru2 C13 81.65(6) . . ?
C12 Ru2 C13 37.00(6) . . ?
C11 Ru2 Cl3 164.99(5) . . ?
C15 Ru2 Cl3 114.32(4) . . ?
C14 Ru2 Cl3 93.02(5) . . ?
C16 Ru2 Cl3 150.61(4) . . ?
C12 Ru2 Cl3 126.65(4) . . ?
C13 Ru2 Cl3 98.33(4) . . ?
C11 Ru2 Cl2 90.52(4) . . ?
C15 Ru2 Cl2 154.97(5) . . ?
C14 Ru2 Cl2 155.36(4) . . ?
C16 Ru2 Cl2 116.70(4) . . ?
C12 Ru2 Cl2 91.34(4) . . ?
C13 Ru2 Cl2 117.35(4) . . ?
Cl3 Ru2 Cl2 89.614(16) . . ?
C11 Ru2 Ru1 142.71(4) . . ?
C15 Ru2 Ru1 101.16(4) . . ?
C14 Ru2 Ru1 113.36(4) . . ?
C16 Ru2 Ru1 112.65(4) . . ?
C12 Ru2 Ru1 178.36(4) . . ?
C13 Ru2 Ru1 143.12(4) . . ?
Cl3 Ru2 Ru1 52.279(10) . . ?
Cl2 Ru2 Ru1 87.436(11) . . ?
C11 Ru2 H123 111.1(7) . . ?
C15 Ru2 H123 85.6(7) . . ?
C14 Ru2 H123 114.7(7) . . ?
C16 Ru2 H123 83.3(7) . . ?
C12 Ru2 H123 149.4(7) . . ?
C13 Ru2 H123 152.5(7) . . ?
Cl3 Ru2 H123 84.0(7) . . ?
Cl2 Ru2 H123 90.0(7) . . ?
Ru1 Ru2 H123 31.8(7) . . ?
Ru2 Cl3 Ru1 75.488(12) . . ?
C2 C1 C6 117.80(15) . . ?
C2 C1 C10 121.72(15) . . ?
C6 C1 C10 120.35(15) . . ?
C2 C1 Ru1 71.15(9) . . ?
C6 C1 Ru1 69.18(9) . . ?
C10 C1 Ru1 127.59(12) . . ?
C1 C2 C3 121.10(15) . . ?
C1 C2 Ru1 71.77(9) . . ?
C3 C2 Ru1 69.70(9) . . ?
C1 C2 H2 119.9(12) . . ?
C3 C2 H2 118.7(12) . . ?
Ru1 C2 H2 127.2(12) . . ?
C4 C3 C2 121.62(14) . . ?
C4 C3 Ru1 71.21(9) . . ?
C2 C3 Ru1 72.44(9) . . ?
C4 C3 H3 119.9(13) . . ?
C2 C3 H3 118.4(13) . . ?
Ru1 C3 H3 126.6(13) . . ?
C3 C4 C5 117.21(15) . . ?
C3 C4 C7 122.60(14) . . ?
C5 C4 C7 120.15(14) . . ?
C3 C4 Ru1 70.98(9) . . ?
C5 C4 Ru1 69.72(9) . . ?
C7 C4 Ru1 128.38(11) . . ?
C4 C7 C9 109.43(14) . . ?
C4 C7 C8 113.72(14) . . ?
C9 C7 C8 109.88(15) . . ?
C4 C7 H5 107.9 . . ?
C9 C7 H5 107.9 . . ?
C8 C7 H5 107.9 . . ?
C7 C9 H6A 109.5 . . ?
C7 C9 H6B 109.5 . . ?
H6A C9 H6B 109.5 . . ?
C7 C9 H6C 109.5 . . ?
H6A C9 H6C 109.5 . . ?
H6B C9 H6C 109.5 . . ?
C7 C8 H7A 109.5 . . ?
C7 C8 H7B 109.5 . . ?
H7A C8 H7B 109.5 . . ?
C7 C8 H7C 109.5 . . ?
H7A C8 H7C 109.5 . . ?
H7B C8 H7C 109.5 . . ?
C6 C5 C4 121.27(14) . . ?
C6 C5 Ru1 71.67(9) . . ?
C4 C5 Ru1 71.59(9) . . ?
C6 C5 H8 119.0(11) . . ?
C4 C5 H8 119.1(11) . . ?
Ru1 C5 H8 122.5(11) . . ?
C5 C6 C1 120.96(14) . . ?
C5 C6 Ru1 70.28(9) . . ?
C1 C6 Ru1 72.80(9) . . ?
C5 C6 H9 118.2(11) . . ?
C1 C6 H9 120.5(11) . . ?
Ru1 C6 H9 123.8(11) . . ?
C1 C10 H10A 109.5 . . ?
C1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C16 C11 C12 121.20(15) . . ?
C16 C11 Ru2 71.88(9) . . ?
C12 C11 Ru2 72.34(9) . . ?
C16 C11 H11 118.8(12) . . ?
C12 C11 H11 119.8(12) . . ?
Ru2 C11 H11 125.2(12) . . ?
C13 C12 C11 120.81(14) . . ?
C13 C12 Ru2 72.65(9) . . ?
C11 C12 Ru2 69.32(9) . . ?
C13 C12 H12 121.0(12) . . ?
C11 C12 H12 117.9(12) . . ?
Ru2 C12 H12 126.3(13) . . ?
C12 C13 C14 117.81(14) . . ?
C12 C13 C20 121.13(15) . . ?
C14 C13 C20 120.97(15) . . ?
C12 C13 Ru2 70.35(9) . . ?
C14 C13 Ru2 69.05(9) . . ?
C20 C13 Ru2 129.47(11) . . ?
C15 C14 C13 121.33(15) . . ?
C15 C14 Ru2 71.04(9) . . ?
C13 C14 Ru2 72.91(9) . . ?
C15 C14 H14 122.3(11) . . ?
C13 C14 H14 116.3(11) . . ?
Ru2 C14 H14 126.0(12) . . ?
C14 C15 C16 120.94(14) . . ?
C14 C15 Ru2 71.39(9) . . ?
C16 C15 Ru2 71.16(8) . . ?
C14 C15 H15 119.0(11) . . ?
C16 C15 H15 119.8(11) . . ?
Ru2 C15 H15 125.2(11) . . ?
C11 C16 C15 117.85(15) . . ?
C11 C16 C17 123.50(15) . . ?
C15 C16 C17 118.62(14) . . ?
C11 C16 Ru2 70.15(9) . . ?
C15 C16 Ru2 70.52(9) . . ?
C17 C16 Ru2 129.08(11) . . ?
C16 C17 C18 113.96(14) . . ?
C16 C17 C19 108.58(14) . . ?
C18 C17 C19 111.04(15) . . ?
C16 C17 H17 107.7 . . ?
C18 C17 H17 107.7 . . ?
C19 C17 H17 107.7 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B 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 . . ?
C13 C20 H20A 109.5 . . ?
C13 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C13 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?

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
C5 Ru1 Ru2 C11 -60.54(8) . . . . ?
C6 Ru1 Ru2 C11 -98.61(8) . . . . ?
C3 Ru1 Ru2 C11 1.98(11) . . . . ?
C4 Ru1 Ru2 C11 -23.58(8) . . . . ?
C2 Ru1 Ru2 C11 -141.2(4) . . . . ?
C1 Ru1 Ru2 C11 -128.91(9) . . . . ?
Cl1 Ru1 Ru2 C11 91.79(7) . . . . ?
Cl3 Ru1 Ru2 C11 -178.99(7) . . . . ?
C5 Ru1 Ru2 C15 -129.34(6) . . . . ?
C6 Ru1 Ru2 C15 -167.41(6) . . . . ?
C3 Ru1 Ru2 C15 -66.82(9) . . . . ?
C4 Ru1 Ru2 C15 -92.39(6) . . . . ?
C2 Ru1 Ru2 C15 150.0(4) . . . . ?
C1 Ru1 Ru2 C15 162.29(8) . . . . ?
Cl1 Ru1 Ru2 C15 22.98(5) . . . . ?
Cl3 Ru1 Ru2 C15 112.21(5) . . . . ?
C5 Ru1 Ru2 C14 -166.71(6) . . . . ?
C6 Ru1 Ru2 C14 155.22(7) . . . . ?
C3 Ru1 Ru2 C14 -104.19(9) . . . . ?
C4 Ru1 Ru2 C14 -129.75(6) . . . . ?
C2 Ru1 Ru2 C14 112.7(4) . . . . ?
C1 Ru1 Ru2 C14 124.92(8) . . . . ?
Cl1 Ru1 Ru2 C14 -14.39(5) . . . . ?
Cl3 Ru1 Ru2 C14 74.84(5) . . . . ?
C5 Ru1 Ru2 C16 -90.99(6) . . . . ?
C6 Ru1 Ru2 C16 -129.06(6) . . . . ?
C3 Ru1 Ru2 C16 -28.47(9) . . . . ?
C4 Ru1 Ru2 C16 -54.04(6) . . . . ?
C2 Ru1 Ru2 C16 -171.6(4) . . . . ?
C1 Ru1 Ru2 C16 -159.36(8) . . . . ?
Cl1 Ru1 Ru2 C16 61.33(5) . . . . ?
Cl3 Ru1 Ru2 C16 150.56(5) . . . . ?
C5 Ru1 Ru2 C12 68.8(15) . . . . ?
C6 Ru1 Ru2 C12 30.8(15) . . . . ?
C3 Ru1 Ru2 C12 131.3(15) . . . . ?
C4 Ru1 Ru2 C12 105.8(15) . . . . ?
C2 Ru1 Ru2 C12 -11.8(16) . . . . ?
C1 Ru1 Ru2 C12 0.5(16) . . . . ?
Cl1 Ru1 Ru2 C12 -138.8(15) . . . . ?
Cl3 Ru1 Ru2 C12 -49.6(15) . . . . ?
C5 Ru1 Ru2 C13 161.91(8) . . . . ?
C6 Ru1 Ru2 C13 123.84(8) . . . . ?
C3 Ru1 Ru2 C13 -135.57(10) . . . . ?
C4 Ru1 Ru2 C13 -161.14(8) . . . . ?
C2 Ru1 Ru2 C13 81.3(4) . . . . ?
C1 Ru1 Ru2 C13 93.54(9) . . . . ?
Cl1 Ru1 Ru2 C13 -45.77(7) . . . . ?
Cl3 Ru1 Ru2 C13 43.46(7) . . . . ?
C5 Ru1 Ru2 Cl3 118.45(4) . . . . ?
C6 Ru1 Ru2 Cl3 80.38(5) . . . . ?
C3 Ru1 Ru2 Cl3 -179.03(8) . . . . ?
C4 Ru1 Ru2 Cl3 155.40(5) . . . . ?
C2 Ru1 Ru2 Cl3 37.8(4) . . . . ?
C1 Ru1 Ru2 Cl3 50.08(6) . . . . ?
Cl1 Ru1 Ru2 Cl3 -89.227(17) . . . . ?
C5 Ru1 Ru2 Cl2 26.95(4) . . . . ?
C6 Ru1 Ru2 Cl2 -11.11(5) . . . . ?
C3 Ru1 Ru2 Cl2 89.47(8) . . . . ?
C4 Ru1 Ru2 Cl2 63.91(4) . . . . ?
C2 Ru1 Ru2 Cl2 -53.7(4) . . . . ?
C1 Ru1 Ru2 Cl2 -41.42(6) . . . . ?
Cl1 Ru1 Ru2 Cl2 179.277(16) . . . . ?
Cl3 Ru1 Ru2 Cl2 -91.496(18) . . . . ?
C11 Ru2 Cl3 Ru1 177.63(17) . . . . ?
C15 Ru2 Cl3 Ru1 -85.35(5) . . . . ?
C14 Ru2 Cl3 Ru1 -117.46(4) . . . . ?
C16 Ru2 Cl3 Ru1 -67.58(9) . . . . ?
C12 Ru2 Cl3 Ru1 178.44(5) . . . . ?
C13 Ru2 Cl3 Ru1 -155.34(4) . . . . ?
Cl2 Ru2 Cl3 Ru1 87.056(14) . . . . ?
C5 Ru1 Cl3 Ru2 -78.98(5) . . . . ?
C6 Ru1 Cl3 Ru2 -109.70(4) . . . . ?
C3 Ru1 Cl3 Ru2 178.50(12) . . . . ?
C4 Ru1 Cl3 Ru2 -65.12(10) . . . . ?
C2 Ru1 Cl3 Ru2 -175.01(5) . . . . ?
C1 Ru1 Cl3 Ru2 -147.80(4) . . . . ?
Cl1 Ru1 Cl3 Ru2 89.753(13) . . . . ?
C5 Ru1 C1 C2 102.22(11) . . . . ?
C6 Ru1 C1 C2 131.08(14) . . . . ?
C3 Ru1 C1 C2 28.08(10) . . . . ?
C4 Ru1 C1 C2 64.58(10) . . . . ?
Cl1 Ru1 C1 C2 -48.15(11) . . . . ?
Cl3 Ru1 C1 C2 -140.08(9) . . . . ?
Ru2 Ru1 C1 C2 -177.58(8) . . . . ?
C5 Ru1 C1 C6 -28.86(9) . . . . ?
C3 Ru1 C1 C6 -103.00(10) . . . . ?
C4 Ru1 C1 C6 -66.50(10) . . . . ?
C2 Ru1 C1 C6 -131.08(14) . . . . ?
Cl1 Ru1 C1 C6 -179.23(8) . . . . ?
Cl3 Ru1 C1 C6 88.84(9) . . . . ?
Ru2 Ru1 C1 C6 51.34(12) . . . . ?
C5 Ru1 C1 C10 -141.78(16) . . . . ?
C6 Ru1 C1 C10 -112.92(18) . . . . ?
C3 Ru1 C1 C10 144.07(16) . . . . ?
C4 Ru1 C1 C10 -179.42(15) . . . . ?
C2 Ru1 C1 C10 116.00(18) . . . . ?
Cl1 Ru1 C1 C10 67.85(15) . . . . ?
Cl3 Ru1 C1 C10 -24.09(15) . . . . ?
Ru2 Ru1 C1 C10 -61.59(17) . . . . ?
C6 C1 C2 C3 1.5(2) . . . . ?
C10 C1 C2 C3 -174.43(15) . . . . ?
Ru1 C1 C2 C3 -51.29(14) . . . . ?
C6 C1 C2 Ru1 52.80(13) . . . . ?
C10 C1 C2 Ru1 -123.14(15) . . . . ?
C5 Ru1 C2 C1 -67.63(10) . . . . ?
C6 Ru1 C2 C1 -30.20(10) . . . . ?
C3 Ru1 C2 C1 -134.57(14) . . . . ?
C4 Ru1 C2 C1 -106.06(10) . . . . ?
Cl1 Ru1 C2 C1 140.86(9) . . . . ?
Cl3 Ru1 C2 C1 49.05(11) . . . . ?
Ru2 Ru1 C2 C1 14.1(4) . . . . ?
C5 Ru1 C2 C3 66.94(10) . . . . ?
C6 Ru1 C2 C3 104.38(10) . . . . ?
C4 Ru1 C2 C3 28.52(9) . . . . ?
C1 Ru1 C2 C3 134.57(14) . . . . ?
Cl1 Ru1 C2 C3 -84.57(9) . . . . ?
Cl3 Ru1 C2 C3 -176.37(8) . . . . ?
Ru2 Ru1 C2 C3 148.7(3) . . . . ?
C1 C2 C3 C4 -1.5(2) . . . . ?
Ru1 C2 C3 C4 -53.73(14) . . . . ?
C1 C2 C3 Ru1 52.21(14) . . . . ?
C5 Ru1 C3 C4 31.02(9) . . . . ?
C6 Ru1 C3 C4 68.51(10) . . . . ?
C2 Ru1 C3 C4 133.52(14) . . . . ?
C1 Ru1 C3 C4 105.98(10) . . . . ?
Cl1 Ru1 C3 C4 -129.10(9) . . . . ?
Cl3 Ru1 C3 C4 142.48(11) . . . . ?
Ru2 Ru1 C3 C4 -39.75(13) . . . . ?
C5 Ru1 C3 C2 -102.50(10) . . . . ?
C6 Ru1 C3 C2 -65.01(10) . . . . ?
C4 Ru1 C3 C2 -133.52(14) . . . . ?
C1 Ru1 C3 C2 -27.54(9) . . . . ?
Cl1 Ru1 C3 C2 97.38(9) . . . . ?
Cl3 Ru1 C3 C2 8.96(19) . . . . ?
Ru2 Ru1 C3 C2 -173.27(7) . . . . ?
C2 C3 C4 C5 0.4(2) . . . . ?
Ru1 C3 C4 C5 -53.88(12) . . . . ?
C2 C3 C4 C7 178.27(15) . . . . ?
Ru1 C3 C4 C7 123.99(15) . . . . ?
C2 C3 C4 Ru1 54.28(14) . . . . ?
C5 Ru1 C4 C3 -130.02(14) . . . . ?
C6 Ru1 C4 C3 -101.44(10) . . . . ?
C2 Ru1 C4 C3 -28.55(9) . . . . ?
C1 Ru1 C4 C3 -64.34(10) . . . . ?
Cl1 Ru1 C4 C3 57.67(10) . . . . ?
Cl3 Ru1 C4 C3 -149.86(9) . . . . ?
Ru2 Ru1 C4 C3 158.00(8) . . . . ?
C6 Ru1 C4 C5 28.58(9) . . . . ?
C3 Ru1 C4 C5 130.02(14) . . . . ?
C2 Ru1 C4 C5 101.46(10) . . . . ?
C1 Ru1 C4 C5 65.67(10) . . . . ?
Cl1 Ru1 C4 C5 -172.31(8) . . . . ?
Cl3 Ru1 C4 C5 -19.85(16) . . . . ?
Ru2 Ru1 C4 C5 -71.98(9) . . . . ?
C5 Ru1 C4 C7 112.99(17) . . . . ?
C6 Ru1 C4 C7 141.57(15) . . . . ?
C3 Ru1 C4 C7 -116.99(17) . . . . ?
C2 Ru1 C4 C7 -145.55(15) . . . . ?
C1 Ru1 C4 C7 178.66(14) . . . . ?
Cl1 Ru1 C4 C7 -59.32(14) . . . . ?
Cl3 Ru1 C4 C7 93.14(16) . . . . ?
Ru2 Ru1 C4 C7 41.01(14) . . . . ?
C3 C4 C7 C9 94.98(19) . . . . ?
C5 C4 C7 C9 -87.21(18) . . . . ?
Ru1 C4 C7 C9 -174.27(12) . . . . ?
C3 C4 C7 C8 -28.3(2) . . . . ?
C5 C4 C7 C8 149.50(15) . . . . ?
Ru1 C4 C7 C8 62.43(19) . . . . ?
C3 C4 C5 C6 0.7(2) . . . . ?
C7 C4 C5 C6 -177.27(14) . . . . ?
Ru1 C4 C5 C6 -53.85(14) . . . . ?
C3 C4 C5 Ru1 54.50(13) . . . . ?
C7 C4 C5 Ru1 -123.42(14) . . . . ?
C3 Ru1 C5 C6 103.00(10) . . . . ?
C4 Ru1 C5 C6 133.36(14) . . . . ?
C2 Ru1 C5 C6 65.56(10) . . . . ?
C1 Ru1 C5 C6 28.84(9) . . . . ?
Cl1 Ru1 C5 C6 148.23(8) . . . . ?
Cl3 Ru1 C5 C6 -55.83(10) . . . . ?
Ru2 Ru1 C5 C6 -107.54(9) . . . . ?
C6 Ru1 C5 C4 -133.36(14) . . . . ?
C3 Ru1 C5 C4 -30.36(9) . . . . ?
C2 Ru1 C5 C4 -67.80(10) . . . . ?
C1 Ru1 C5 C4 -104.52(10) . . . . ?
Cl1 Ru1 C5 C4 14.87(15) . . . . ?
Cl3 Ru1 C5 C4 170.81(8) . . . . ?
Ru2 Ru1 C5 C4 119.09(9) . . . . ?
C4 C5 C6 C1 -0.6(2) . . . . ?
Ru1 C5 C6 C1 -54.45(14) . . . . ?
C4 C5 C6 Ru1 53.81(13) . . . . ?
C2 C1 C6 C5 -0.5(2) . . . . ?
C10 C1 C6 C5 175.54(15) . . . . ?
Ru1 C1 C6 C5 53.30(13) . . . . ?
C2 C1 C6 Ru1 -53.75(13) . . . . ?
C10 C1 C6 Ru1 122.25(15) . . . . ?
C3 Ru1 C6 C5 -66.54(10) . . . . ?
C4 Ru1 C6 C5 -29.02(9) . . . . ?
C2 Ru1 C6 C5 -103.59(10) . . . . ?
C1 Ru1 C6 C5 -133.09(14) . . . . ?
Cl1 Ru1 C6 C5 -131.14(12) . . . . ?
Cl3 Ru1 C6 C5 132.78(9) . . . . ?
Ru2 Ru1 C6 C5 81.45(9) . . . . ?
C5 Ru1 C6 C1 133.09(14) . . . . ?
C3 Ru1 C6 C1 66.55(10) . . . . ?
C4 Ru1 C6 C1 104.07(10) . . . . ?
C2 Ru1 C6 C1 29.49(9) . . . . ?
Cl1 Ru1 C6 C1 1.95(19) . . . . ?
Cl3 Ru1 C6 C1 -94.13(9) . . . . ?
Ru2 Ru1 C6 C1 -145.47(8) . . . . ?
C15 Ru2 C11 C16 30.29(9) . . . . ?
C14 Ru2 C11 C16 67.22(10) . . . . ?
C12 Ru2 C11 C16 132.56(14) . . . . ?
C13 Ru2 C11 C16 104.68(10) . . . . ?
Cl3 Ru2 C11 C16 133.61(15) . . . . ?
Cl2 Ru2 C11 C16 -135.94(9) . . . . ?
Ru1 Ru2 C11 C16 -49.49(12) . . . . ?
C15 Ru2 C11 C12 -102.27(10) . . . . ?
C14 Ru2 C11 C12 -65.34(9) . . . . ?
C16 Ru2 C11 C12 -132.56(14) . . . . ?
C13 Ru2 C11 C12 -27.87(9) . . . . ?
Cl3 Ru2 C11 C12 1.1(2) . . . . ?
Cl2 Ru2 C11 C12 91.50(9) . . . . ?
Ru1 Ru2 C11 C12 177.95(7) . . . . ?
C16 C11 C12 C13 -1.5(2) . . . . ?
Ru2 C11 C12 C13 53.39(13) . . . . ?
C16 C11 C12 Ru2 -54.93(13) . . . . ?
C11 Ru2 C12 C13 -133.76(14) . . . . ?
C15 Ru2 C12 C13 -66.66(10) . . . . ?
C14 Ru2 C12 C13 -29.77(9) . . . . ?
C16 Ru2 C12 C13 -104.69(10) . . . . ?
Cl3 Ru2 C12 C13 46.58(10) . . . . ?
Cl2 Ru2 C12 C13 137.10(9) . . . . ?
Ru1 Ru2 C12 C13 95.3(15) . . . . ?
C15 Ru2 C12 C11 67.09(10) . . . . ?
C14 Ru2 C12 C11 103.98(10) . . . . ?
C16 Ru2 C12 C11 29.06(9) . . . . ?
C13 Ru2 C12 C11 133.76(14) . . . . ?
Cl3 Ru2 C12 C11 -179.66(7) . . . . ?
Cl2 Ru2 C12 C11 -89.14(9) . . . . ?
Ru1 Ru2 C12 C11 -131.0(15) . . . . ?
C11 C12 C13 C14 0.0(2) . . . . ?
Ru2 C12 C13 C14 51.85(13) . . . . ?
C11 C12 C13 C20 -176.83(15) . . . . ?
Ru2 C12 C13 C20 -124.95(15) . . . . ?
C11 C12 C13 Ru2 -51.89(13) . . . . ?
C11 Ru2 C13 C12 28.81(9) . . . . ?
C15 Ru2 C13 C12 103.15(10) . . . . ?
C14 Ru2 C13 C12 131.86(14) . . . . ?
C16 Ru2 C13 C12 65.79(9) . . . . ?
Cl3 Ru2 C13 C12 -143.91(8) . . . . ?
Cl2 Ru2 C13 C12 -50.01(10) . . . . ?
Ru1 Ru2 C13 C12 -177.27(7) . . . . ?
C11 Ru2 C13 C14 -103.05(10) . . . . ?
C15 Ru2 C13 C14 -28.71(9) . . . . ?
C16 Ru2 C13 C14 -66.07(10) . . . . ?
C12 Ru2 C13 C14 -131.86(14) . . . . ?
Cl3 Ru2 C13 C14 84.22(9) . . . . ?
Cl2 Ru2 C13 C14 178.12(8) . . . . ?
Ru1 Ru2 C13 C14 50.86(12) . . . . ?
C11 Ru2 C13 C20 143.47(16) . . . . ?
C15 Ru2 C13 C20 -142.19(16) . . . . ?
C14 Ru2 C13 C20 -113.48(19) . . . . ?
C16 Ru2 C13 C20 -179.55(16) . . . . ?
C12 Ru2 C13 C20 114.65(18) . . . . ?
Cl3 Ru2 C13 C20 -29.26(15) . . . . ?
Cl2 Ru2 C13 C20 64.64(16) . . . . ?
Ru1 Ru2 C13 C20 -62.62(17) . . . . ?
C12 C13 C14 C15 1.7(2) . . . . ?
C20 C13 C14 C15 178.51(15) . . . . ?
Ru2 C13 C14 C15 54.18(14) . . . . ?
C12 C13 C14 Ru2 -52.47(13) . . . . ?
C20 C13 C14 Ru2 124.33(15) . . . . ?
C11 Ru2 C14 C15 -66.33(10) . . . . ?
C16 Ru2 C14 C15 -28.85(9) . . . . ?
C12 Ru2 C14 C15 -103.91(10) . . . . ?
C13 Ru2 C14 C15 -132.92(14) . . . . ?
Cl3 Ru2 C14 C15 127.42(9) . . . . ?
Cl2 Ru2 C14 C15 -136.91(10) . . . . ?
Ru1 Ru2 C14 C15 77.55(9) . . . . ?
C11 Ru2 C14 C13 66.59(10) . . . . ?
C15 Ru2 C14 C13 132.92(14) . . . . ?
C16 Ru2 C14 C13 104.07(10) . . . . ?
C12 Ru2 C14 C13 29.00(9) . . . . ?
Cl3 Ru2 C14 C13 -99.67(9) . . . . ?
Cl2 Ru2 C14 C13 -4.00(17) . . . . ?
Ru1 Ru2 C14 C13 -149.53(8) . . . . ?
C13 C14 C15 C16 -1.8(2) . . . . ?
Ru2 C14 C15 C16 53.19(13) . . . . ?
C13 C14 C15 Ru2 -55.04(14) . . . . ?
C11 Ru2 C15 C14 103.45(11) . . . . ?
C16 Ru2 C15 C14 133.48(14) . . . . ?
C12 Ru2 C15 C14 65.51(10) . . . . ?
C13 Ru2 C15 C14 29.04(9) . . . . ?
Cl3 Ru2 C15 C14 -60.50(10) . . . . ?
Cl2 Ru2 C15 C14 137.69(10) . . . . ?
Ru1 Ru2 C15 C14 -113.97(9) . . . . ?
C11 Ru2 C15 C16 -30.03(9) . . . . ?
C14 Ru2 C15 C16 -133.48(14) . . . . ?
C12 Ru2 C15 C16 -67.97(9) . . . . ?
C13 Ru2 C15 C16 -104.44(10) . . . . ?
Cl3 Ru2 C15 C16 166.02(8) . . . . ?
Cl2 Ru2 C15 C16 4.21(16) . . . . ?
Ru1 Ru2 C15 C16 112.55(8) . . . . ?
C12 C11 C16 C15 1.4(2) . . . . ?
Ru2 C11 C16 C15 -53.72(12) . . . . ?
C12 C11 C16 C17 179.53(14) . . . . ?
Ru2 C11 C16 C17 124.39(15) . . . . ?
C12 C11 C16 Ru2 55.14(13) . . . . ?
C14 C15 C16 C11 0.3(2) . . . . ?
Ru2 C15 C16 C11 53.55(13) . . . . ?
C14 C15 C16 C17 -177.96(14) . . . . ?
Ru2 C15 C16 C17 -124.66(14) . . . . ?
C14 C15 C16 Ru2 -53.29(13) . . . . ?
C15 Ru2 C16 C11 -130.88(14) . . . . ?
C14 Ru2 C16 C11 -102.55(10) . . . . ?
C12 Ru2 C16 C11 -29.33(9) . . . . ?
C13 Ru2 C16 C11 -65.37(10) . . . . ?
Cl3 Ru2 C16 C11 -157.54(8) . . . . ?
Cl2 Ru2 C16 C11 51.11(10) . . . . ?
Ru1 Ru2 C16 C11 150.06(8) . . . . ?
C11 Ru2 C16 C15 130.88(14) . . . . ?
C14 Ru2 C16 C15 28.33(9) . . . . ?
C12 Ru2 C16 C15 101.55(10) . . . . ?
C13 Ru2 C16 C15 65.51(9) . . . . ?
Cl3 Ru2 C16 C15 -26.65(14) . . . . ?
Cl2 Ru2 C16 C15 -178.01(8) . . . . ?
Ru1 Ru2 C16 C15 -79.06(9) . . . . ?
C11 Ru2 C16 C17 -117.56(18) . . . . ?
C15 Ru2 C16 C17 111.55(17) . . . . ?
C14 Ru2 C16 C17 139.89(15) . . . . ?
C12 Ru2 C16 C17 -146.90(15) . . . . ?
C13 Ru2 C16 C17 177.06(15) . . . . ?
Cl3 Ru2 C16 C17 84.90(16) . . . . ?
Cl2 Ru2 C16 C17 -66.45(15) . . . . ?
Ru1 Ru2 C16 C17 32.50(15) . . . . ?
C11 C16 C17 C18 -17.6(2) . . . . ?
C15 C16 C17 C18 160.48(15) . . . . ?
Ru2 C16 C17 C18 73.12(19) . . . . ?
C11 C16 C17 C19 106.70(18) . . . . ?
C15 C16 C17 C19 -75.20(18) . . . . ?
Ru2 C16 C17 C19 -162.56(12) . . . . ?

_diffrn_measured_fraction_theta_max 1.000
_diffrn_reflns_theta_full        30.55
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.626
_refine_diff_density_min         -0.512
_refine_diff_density_rms         0.085


_database_code_depnum_ccdc_archive 'CCDC 932852'
#######################################################################
#
#                 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_Gunanathan_2

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H46 Ru Si2'
_chemical_formula_weight         467.84

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'
Si Si 0.0817 0.0704 '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   'P2(1)/c '

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                   16.4631(15)
_cell_length_b                   8.7200(8)
_cell_length_c                   17.7452(16)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.003(4)
_cell_angle_gamma                90.00
_cell_volume                     2491.8(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9943
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      30.47

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1000
_exptl_absorpt_coefficient_mu    0.729
_exptl_absorpt_correction_type   SPHERE
_exptl_absorpt_correction_T_min  0.5565
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      200(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  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            44034
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_av_sigmaI/netI    0.0336
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.42
_diffrn_reflns_theta_max         30.61
_reflns_number_total             7598
_reflns_number_gt                6643
_reflns_threshold_expression     >2\s(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT  A'
_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^ > 2\s(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^)+(0.0343P)^2^+1.5014P] 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         7598
_refine_ls_number_parameters     263
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0299
_refine_ls_wR_factor_ref         0.0745
_refine_ls_wR_factor_gt          0.0710
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.028
_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
H3 H 0.0992(14) -0.127(3) 0.1096(12) 0.024(5) Uiso 1 1 d . . .
H2 H 0.1545(13) -0.080(2) 0.2390(12) 0.019(5) Uiso 1 1 d . . .
H5 H 0.3868(13) -0.129(3) 0.1967(12) 0.021(5) Uiso 1 1 d . . .
H6 H 0.3290(14) -0.160(3) 0.0653(13) 0.034(6) Uiso 1 1 d . . .
H20 H 0.3662(14) -0.028(3) 0.3205(12) 0.026(5) Uiso 1 1 d . . .
H100 H 0.2366(13) 0.180(3) 0.0667(13) 0.029(6) Uiso 1 1 d . . .
H101 H 0.2592(14) 0.223(3) 0.1915(14) 0.039(7) Uiso 1 1 d . . .
Ru1 Ru 0.244505(7) 0.075809(15) 0.136888(7) 0.01453(4) Uani 1 1 d . . .
Si2 Si 0.36471(3) 0.22162(6) 0.12583(2) 0.01641(9) Uani 1 1 d . . .
Si3 Si 0.12811(3) 0.24738(6) 0.12009(3) 0.02070(10) Uani 1 1 d . . .
C2 C 0.15530(11) -0.1266(2) 0.12562(10) 0.0208(3) Uani 1 1 d . . .
C4 C 0.27674(10) -0.1029(2) 0.23340(9) 0.0199(3) Uani 1 1 d . . .
C3 C 0.18980(10) -0.0992(2) 0.20481(10) 0.0196(3) Uani 1 1 d . . .
C6 C 0.29310(11) -0.1478(2) 0.10039(10) 0.0224(3) Uani 1 1 d . . .
C1 C 0.20645(11) -0.1512(2) 0.07243(10) 0.0222(3) Uani 1 1 d . . .
C5 C 0.32782(10) -0.1280(2) 0.17970(10) 0.0216(3) Uani 1 1 d . . .
C11 C 0.06084(11) 0.2405(3) 0.01799(11) 0.0310(4) Uani 1 1 d . . .
H11A H 0.0440 0.1328 0.0060 0.037 Uiso 1 1 calc R . .
H11B H 0.0096 0.3002 0.0177 0.037 Uiso 1 1 calc R . .
C9 C 0.14674(12) 0.4558(2) 0.14297(12) 0.0301(4) Uani 1 1 d . . .
H9A H 0.1848 0.4966 0.1113 0.036 Uiso 1 1 calc R . .
H9B H 0.0934 0.5113 0.1280 0.036 Uiso 1 1 calc R . .
C7 C 0.05425(11) 0.1846(2) 0.18395(12) 0.0282(4) Uani 1 1 d . . .
H7A H 0.0297 0.0848 0.1648 0.034 Uiso 1 1 calc R . .
H7B H 0.0872 0.1678 0.2367 0.034 Uiso 1 1 calc R . .
C10 C 0.18376(14) 0.4889(3) 0.22779(13) 0.0377(5) Uani 1 1 d . . .
H10A H 0.1505 0.4375 0.2601 0.057 Uiso 1 1 calc R . .
H10B H 0.1835 0.5998 0.2368 0.057 Uiso 1 1 calc R . .
H10C H 0.2410 0.4507 0.2407 0.057 Uiso 1 1 calc R . .
C8 C -0.01678(12) 0.2953(3) 0.18904(13) 0.0357(5) Uani 1 1 d . . .
H8A H 0.0060 0.3885 0.2164 0.054 Uiso 1 1 calc R . .
H8B H -0.0551 0.2460 0.2170 0.054 Uiso 1 1 calc R . .
H8C H -0.0466 0.3222 0.1370 0.054 Uiso 1 1 calc R . .
C12 C 0.10070(14) 0.3009(4) -0.04623(13) 0.0473(6) Uani 1 1 d . . .
H12A H 0.1166 0.4085 -0.0361 0.071 Uiso 1 1 calc R . .
H12B H 0.0610 0.2931 -0.0956 0.071 Uiso 1 1 calc R . .
H12C H 0.1502 0.2401 -0.0484 0.071 Uiso 1 1 calc R . .
C13 C 0.42100(10) 0.1260(2) 0.05505(9) 0.0216(3) Uani 1 1 d . . .
H13A H 0.4730 0.1833 0.0554 0.026 Uiso 1 1 calc R . .
H13B H 0.4367 0.0210 0.0737 0.026 Uiso 1 1 calc R . .
C15 C 0.44737(10) 0.2261(2) 0.21858(9) 0.0233(3) Uani 1 1 d . . .
H15A H 0.4611 0.1190 0.2349 0.028 Uiso 1 1 calc R . .
H15B H 0.4982 0.2728 0.2070 0.028 Uiso 1 1 calc R . .
C14 C 0.37241(12) 0.1153(2) -0.02832(10) 0.0279(4) Uani 1 1 d . . .
H14A H 0.3193 0.0636 -0.0295 0.042 Uiso 1 1 calc R . .
H14B H 0.4047 0.0568 -0.0590 0.042 Uiso 1 1 calc R . .
H14C H 0.3621 0.2187 -0.0498 0.042 Uiso 1 1 calc R . .
C16 C 0.42510(11) 0.3127(3) 0.28641(10) 0.0276(4) Uani 1 1 d . . .
H16A H 0.4150 0.4208 0.2725 0.041 Uiso 1 1 calc R . .
H16B H 0.4711 0.3048 0.3312 0.041 Uiso 1 1 calc R . .
H16C H 0.3749 0.2679 0.2989 0.041 Uiso 1 1 calc R . .
C17 C 0.34948(11) 0.4293(2) 0.09486(10) 0.0225(3) Uani 1 1 d . . .
H17A H 0.3043 0.4348 0.0484 0.027 Uiso 1 1 calc R . .
H17B H 0.3313 0.4878 0.1362 0.027 Uiso 1 1 calc R . .
C18 C 0.42686(12) 0.5065(2) 0.07707(13) 0.0333(4) Uani 1 1 d . . .
H18A H 0.4717 0.5040 0.1230 0.050 Uiso 1 1 calc R . .
H18B H 0.4140 0.6132 0.0618 0.050 Uiso 1 1 calc R . .
H18C H 0.4444 0.4517 0.0349 0.050 Uiso 1 1 calc R . .
C20 C 0.31558(12) -0.0838(2) 0.31815(10) 0.0255(4) Uani 1 1 d . . .
C19 C 0.26244(13) 0.0112(3) 0.36152(10) 0.0334(4) Uani 1 1 d . . .
H19A H 0.2505 0.1110 0.3363 0.050 Uiso 1 1 calc R . .
H19B H 0.2924 0.0264 0.4148 0.050 Uiso 1 1 calc R . .
H19C H 0.2102 -0.0428 0.3614 0.050 Uiso 1 1 calc R . .
C21 C 0.33482(13) -0.2414(3) 0.35570(11) 0.0326(4) Uani 1 1 d . . .
H21A H 0.2829 -0.2975 0.3539 0.049 Uiso 1 1 calc R . .
H21B H 0.3637 -0.2283 0.4095 0.049 Uiso 1 1 calc R . .
H21C H 0.3703 -0.2993 0.3278 0.049 Uiso 1 1 calc R . .
C22 C 0.17030(12) -0.1801(3) -0.01163(11) 0.0316(4) Uani 1 1 d . . .
H22A H 0.2076 -0.1383 -0.0429 0.047 Uiso 1 1 calc R . .
H22B H 0.1160 -0.1301 -0.0260 0.047 Uiso 1 1 calc R . .
H22C H 0.1638 -0.2907 -0.0206 0.047 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 0.01325(6) 0.01633(7) 0.01447(6) 0.00040(4) 0.00392(4) 0.00060(4)
Si2 0.01474(19) 0.0209(2) 0.01429(18) 0.00033(16) 0.00455(14) -0.00053(16)
Si3 0.0163(2) 0.0227(3) 0.0239(2) 0.00296(18) 0.00621(16) 0.00374(18)
C2 0.0193(8) 0.0189(8) 0.0243(8) -0.0026(6) 0.0047(6) -0.0037(6)
C4 0.0215(8) 0.0180(8) 0.0201(7) 0.0045(6) 0.0042(6) -0.0019(6)
C3 0.0200(7) 0.0187(8) 0.0212(7) 0.0018(6) 0.0070(6) -0.0029(6)
C6 0.0241(8) 0.0187(9) 0.0257(8) -0.0012(6) 0.0086(6) 0.0039(7)
C1 0.0251(8) 0.0181(8) 0.0237(8) -0.0044(6) 0.0058(6) -0.0010(7)
C5 0.0181(7) 0.0193(8) 0.0275(8) 0.0040(7) 0.0053(6) 0.0022(6)
C11 0.0213(8) 0.0402(12) 0.0299(9) 0.0022(8) 0.0014(7) 0.0029(8)
C9 0.0235(9) 0.0246(10) 0.0427(11) 0.0021(8) 0.0083(8) 0.0017(7)
C7 0.0235(8) 0.0260(10) 0.0391(10) -0.0032(8) 0.0159(7) 0.0003(7)
C10 0.0364(11) 0.0263(11) 0.0495(13) -0.0088(9) 0.0068(9) 0.0016(9)
C8 0.0265(9) 0.0355(12) 0.0501(12) -0.0096(10) 0.0195(9) 0.0027(8)
C12 0.0368(11) 0.075(2) 0.0281(10) 0.0127(11) 0.0013(8) 0.0054(12)
C13 0.0204(7) 0.0265(9) 0.0199(7) -0.0001(6) 0.0084(6) 0.0012(7)
C15 0.0181(7) 0.0333(10) 0.0185(7) -0.0018(7) 0.0036(6) -0.0023(7)
C14 0.0336(9) 0.0342(11) 0.0176(8) -0.0011(7) 0.0094(7) 0.0044(8)
C16 0.0267(9) 0.0370(11) 0.0193(8) -0.0061(7) 0.0049(6) -0.0063(8)
C17 0.0205(8) 0.0242(9) 0.0243(8) 0.0015(6) 0.0084(6) -0.0011(6)
C18 0.0286(9) 0.0274(11) 0.0480(12) 0.0043(9) 0.0171(8) -0.0045(8)
C20 0.0253(8) 0.0289(10) 0.0208(8) 0.0063(7) 0.0014(6) -0.0064(7)
C19 0.0403(11) 0.0387(12) 0.0203(8) -0.0030(8) 0.0045(7) -0.0049(9)
C21 0.0333(10) 0.0362(12) 0.0269(9) 0.0131(8) 0.0026(7) -0.0017(8)
C22 0.0319(10) 0.0376(12) 0.0250(9) -0.0119(8) 0.0052(7) -0.0049(8)

_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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 2.2458(16) . ?
Ru1 C6 2.2534(18) . ?
Ru1 C5 2.2769(18) . ?
Ru1 C2 2.2779(17) . ?
Ru1 C4 2.2945(17) . ?
Ru1 C1 2.3065(18) . ?
Ru1 Si2 2.3943(5) . ?
Ru1 Si3 2.4003(5) . ?
Ru1 H100 1.53(2) . ?
Ru1 H101 1.60(3) . ?
Si2 C17 1.8940(19) . ?
Si2 C13 1.9014(17) . ?
Si2 C15 1.9055(17) . ?
Si3 C9 1.873(2) . ?
Si3 C7 1.9067(18) . ?
Si3 C11 1.9178(19) . ?
C2 C1 1.406(2) . ?
C2 C3 1.422(2) . ?
C2 H3 0.91(2) . ?
C4 C5 1.413(2) . ?
C4 C3 1.416(2) . ?
C4 C20 1.516(2) . ?
C3 H2 0.94(2) . ?
C6 C1 1.410(2) . ?
C6 C5 1.415(2) . ?
C6 H6 0.95(2) . ?
C1 C22 1.508(2) . ?
C5 H5 0.95(2) . ?
C11 C12 1.522(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C9 C10 1.529(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C7 C8 1.533(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.531(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C15 C16 1.528(2) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.531(2) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C20 C19 1.524(3) . ?
C20 C21 1.532(3) . ?
C20 H20 0.96(2) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?

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 C6 76.83(6) . . ?
C3 Ru1 C5 64.63(6) . . ?
C6 Ru1 C5 36.40(6) . . ?
C3 Ru1 C2 36.64(6) . . ?
C6 Ru1 C2 64.23(6) . . ?
C5 Ru1 C2 75.95(7) . . ?
C3 Ru1 C4 36.32(6) . . ?
C6 Ru1 C4 65.55(6) . . ?
C5 Ru1 C4 36.01(6) . . ?
C2 Ru1 C4 65.44(6) . . ?
C3 Ru1 C1 65.49(6) . . ?
C6 Ru1 C1 36.00(6) . . ?
C5 Ru1 C1 65.06(6) . . ?
C2 Ru1 C1 35.71(6) . . ?
C4 Ru1 C1 77.54(6) . . ?
C3 Ru1 Si2 146.65(5) . . ?
C6 Ru1 Si2 95.00(5) . . ?
C5 Ru1 Si2 89.49(5) . . ?
C2 Ru1 Si2 158.90(5) . . ?
C4 Ru1 Si2 110.79(4) . . ?
C1 Ru1 Si2 123.98(4) . . ?
C3 Ru1 Si3 95.24(5) . . ?
C6 Ru1 Si3 145.66(5) . . ?
C5 Ru1 Si3 159.71(4) . . ?
C2 Ru1 Si3 89.34(5) . . ?
C4 Ru1 Si3 124.80(4) . . ?
C1 Ru1 Si3 110.23(5) . . ?
Si2 Ru1 Si3 108.114(19) . . ?
C3 Ru1 H100 150.2(8) . . ?
C6 Ru1 H100 104.9(8) . . ?
C5 Ru1 H100 132.9(8) . . ?
C2 Ru1 H100 116.5(8) . . ?
C4 Ru1 H100 168.9(8) . . ?
C1 Ru1 H100 98.0(9) . . ?
Si2 Ru1 H100 63.1(8) . . ?
Si3 Ru1 H100 66.2(8) . . ?
C3 Ru1 H101 104.4(9) . . ?
C6 Ru1 H101 148.5(9) . . ?
C5 Ru1 H101 114.9(9) . . ?
C2 Ru1 H101 133.6(8) . . ?
C4 Ru1 H101 96.4(9) . . ?
C1 Ru1 H101 169.2(8) . . ?
Si2 Ru1 H101 66.4(8) . . ?
Si3 Ru1 H101 65.8(8) . . ?
H100 Ru1 H101 89.5(13) . . ?
C17 Si2 C13 106.31(8) . . ?
C17 Si2 C15 104.98(9) . . ?
C13 Si2 C15 102.77(8) . . ?
C17 Si2 Ru1 118.01(6) . . ?
C13 Si2 Ru1 110.25(6) . . ?
C15 Si2 Ru1 113.22(6) . . ?
C9 Si3 C7 104.21(9) . . ?
C9 Si3 C11 105.75(10) . . ?
C7 Si3 C11 103.78(9) . . ?
C9 Si3 Ru1 119.16(6) . . ?
C7 Si3 Ru1 109.79(6) . . ?
C11 Si3 Ru1 112.78(7) . . ?
C1 C2 C3 121.13(16) . . ?
C1 C2 Ru1 73.26(10) . . ?
C3 C2 Ru1 70.46(10) . . ?
C1 C2 H3 120.2(13) . . ?
C3 C2 H3 118.7(13) . . ?
Ru1 C2 H3 128.5(15) . . ?
C5 C4 C3 117.44(15) . . ?
C5 C4 C20 119.92(15) . . ?
C3 C4 C20 122.64(15) . . ?
C5 C4 Ru1 71.32(10) . . ?
C3 C4 Ru1 69.97(9) . . ?
C20 C4 Ru1 130.56(13) . . ?
C4 C3 C2 121.11(15) . . ?
C4 C3 Ru1 73.71(9) . . ?
C2 C3 Ru1 72.91(10) . . ?
C4 C3 H2 119.2(13) . . ?
C2 C3 H2 119.7(13) . . ?
Ru1 C3 H2 126.8(12) . . ?
C1 C6 C5 121.49(15) . . ?
C1 C6 Ru1 74.06(10) . . ?
C5 C6 Ru1 72.70(10) . . ?
C1 C6 H6 119.3(14) . . ?
C5 C6 H6 119.2(14) . . ?
Ru1 C6 H6 126.3(15) . . ?
C2 C1 C6 117.65(16) . . ?
C2 C1 C22 121.42(16) . . ?
C6 C1 C22 120.92(15) . . ?
C2 C1 Ru1 71.03(10) . . ?
C6 C1 Ru1 69.95(10) . . ?
C22 C1 Ru1 130.15(14) . . ?
C4 C5 C6 121.04(16) . . ?
C4 C5 Ru1 72.67(10) . . ?
C6 C5 Ru1 70.89(10) . . ?
C4 C5 H5 119.7(12) . . ?
C6 C5 H5 119.2(12) . . ?
Ru1 C5 H5 127.7(13) . . ?
C12 C11 Si3 116.24(15) . . ?
C12 C11 H11A 108.2 . . ?
Si3 C11 H11A 108.2 . . ?
C12 C11 H11B 108.2 . . ?
Si3 C11 H11B 108.2 . . ?
H11A C11 H11B 107.4 . . ?
C10 C9 Si3 114.24(15) . . ?
C10 C9 H9A 108.7 . . ?
Si3 C9 H9A 108.7 . . ?
C10 C9 H9B 108.7 . . ?
Si3 C9 H9B 108.7 . . ?
H9A C9 H9B 107.6 . . ?
C8 C7 Si3 116.29(15) . . ?
C8 C7 H7A 108.2 . . ?
Si3 C7 H7A 108.2 . . ?
C8 C7 H7B 108.2 . . ?
Si3 C7 H7B 108.2 . . ?
H7A C7 H7B 107.4 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 Si2 115.88(12) . . ?
C14 C13 H13A 108.3 . . ?
Si2 C13 H13A 108.3 . . ?
C14 C13 H13B 108.3 . . ?
Si2 C13 H13B 108.3 . . ?
H13A C13 H13B 107.4 . . ?
C16 C15 Si2 116.44(12) . . ?
C16 C15 H15A 108.2 . . ?
Si2 C15 H15A 108.2 . . ?
C16 C15 H15B 108.2 . . ?
Si2 C15 H15B 108.2 . . ?
H15A C15 H15B 107.3 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 Si2 114.50(13) . . ?
C18 C17 H17A 108.6 . . ?
Si2 C17 H17A 108.6 . . ?
C18 C17 H17B 108.6 . . ?
Si2 C17 H17B 108.6 . . ?
H17A C17 H17B 107.6 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C4 C20 C19 113.12(16) . . ?
C4 C20 C21 109.84(16) . . ?
C19 C20 C21 110.88(16) . . ?
C4 C20 H20 106.4(13) . . ?
C19 C20 H20 106.9(14) . . ?
C21 C20 H20 109.6(14) . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C20 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C1 C22 H22A 109.5 . . ?
C1 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C1 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

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
C3 Ru1 Si2 C17 -139.56(10) . . . . ?
C6 Ru1 Si2 C17 146.89(8) . . . . ?
C5 Ru1 Si2 C17 -177.09(8) . . . . ?
C2 Ru1 Si2 C17 137.16(14) . . . . ?
C4 Ru1 Si2 C17 -147.39(8) . . . . ?
C1 Ru1 Si2 C17 123.89(8) . . . . ?
Si3 Ru1 Si2 C17 -7.35(7) . . . . ?
C3 Ru1 Si2 C13 98.08(10) . . . . ?
C6 Ru1 Si2 C13 24.53(8) . . . . ?
C5 Ru1 Si2 C13 60.55(7) . . . . ?
C2 Ru1 Si2 C13 14.80(14) . . . . ?
C4 Ru1 Si2 C13 90.24(8) . . . . ?
C1 Ru1 Si2 C13 1.53(8) . . . . ?
Si3 Ru1 Si2 C13 -129.71(6) . . . . ?
C3 Ru1 Si2 C15 -16.40(11) . . . . ?
C6 Ru1 Si2 C15 -89.96(8) . . . . ?
C5 Ru1 Si2 C15 -53.93(8) . . . . ?
C2 Ru1 Si2 C15 -99.69(14) . . . . ?
C4 Ru1 Si2 C15 -24.24(8) . . . . ?
C1 Ru1 Si2 C15 -112.96(9) . . . . ?
Si3 Ru1 Si2 C15 115.80(7) . . . . ?
C3 Ru1 Si3 C9 130.44(9) . . . . ?
C6 Ru1 Si3 C9 -155.30(11) . . . . ?
C5 Ru1 Si3 C9 123.65(16) . . . . ?
C2 Ru1 Si3 C9 166.65(9) . . . . ?
C4 Ru1 Si3 C9 107.60(9) . . . . ?
C1 Ru1 Si3 C9 -163.77(9) . . . . ?
Si2 Ru1 Si3 C9 -25.42(8) . . . . ?
C3 Ru1 Si3 C7 10.48(8) . . . . ?
C6 Ru1 Si3 C7 84.74(11) . . . . ?
C5 Ru1 Si3 C7 3.69(16) . . . . ?
C2 Ru1 Si3 C7 46.68(8) . . . . ?
C4 Ru1 Si3 C7 -12.37(9) . . . . ?
C1 Ru1 Si3 C7 76.27(8) . . . . ?
Si2 Ru1 Si3 C7 -145.38(7) . . . . ?
C3 Ru1 Si3 C11 -104.71(9) . . . . ?
C6 Ru1 Si3 C11 -30.45(11) . . . . ?
C5 Ru1 Si3 C11 -111.50(15) . . . . ?
C2 Ru1 Si3 C11 -68.51(8) . . . . ?
C4 Ru1 Si3 C11 -127.56(9) . . . . ?
C1 Ru1 Si3 C11 -38.92(9) . . . . ?
Si2 Ru1 Si3 C11 99.43(7) . . . . ?
C3 Ru1 C2 C1 -132.82(16) . . . . ?
C6 Ru1 C2 C1 -29.81(10) . . . . ?
C5 Ru1 C2 C1 -66.63(11) . . . . ?
C4 Ru1 C2 C1 -103.27(11) . . . . ?
Si2 Ru1 C2 C1 -19.0(2) . . . . ?
Si3 Ru1 C2 C1 127.48(10) . . . . ?
C6 Ru1 C2 C3 103.01(11) . . . . ?
C5 Ru1 C2 C3 66.19(11) . . . . ?
C4 Ru1 C2 C3 29.56(10) . . . . ?
C1 Ru1 C2 C3 132.82(16) . . . . ?
Si2 Ru1 C2 C3 113.79(13) . . . . ?
Si3 Ru1 C2 C3 -99.70(10) . . . . ?
C3 Ru1 C4 C5 129.87(15) . . . . ?
C6 Ru1 C4 C5 28.56(10) . . . . ?
C2 Ru1 C4 C5 100.07(11) . . . . ?
C1 Ru1 C4 C5 64.49(10) . . . . ?
Si2 Ru1 C4 C5 -57.41(11) . . . . ?
Si3 Ru1 C4 C5 170.61(9) . . . . ?
C6 Ru1 C4 C3 -101.30(11) . . . . ?
C5 Ru1 C4 C3 -129.87(15) . . . . ?
C2 Ru1 C4 C3 -29.80(10) . . . . ?
C1 Ru1 C4 C3 -65.38(10) . . . . ?
Si2 Ru1 C4 C3 172.73(9) . . . . ?
Si3 Ru1 C4 C3 40.75(11) . . . . ?
C3 Ru1 C4 C20 -116.3(2) . . . . ?
C6 Ru1 C4 C20 142.36(17) . . . . ?
C5 Ru1 C4 C20 113.80(19) . . . . ?
C2 Ru1 C4 C20 -146.13(17) . . . . ?
C1 Ru1 C4 C20 178.29(17) . . . . ?
Si2 Ru1 C4 C20 56.40(16) . . . . ?
Si3 Ru1 C4 C20 -75.59(16) . . . . ?
C5 C4 C3 C2 2.7(3) . . . . ?
C20 C4 C3 C2 -176.23(17) . . . . ?
Ru1 C4 C3 C2 57.73(15) . . . . ?
C5 C4 C3 Ru1 -55.01(14) . . . . ?
C20 C4 C3 Ru1 126.04(17) . . . . ?
C1 C2 C3 C4 -3.0(3) . . . . ?
Ru1 C2 C3 C4 -58.11(15) . . . . ?
C1 C2 C3 Ru1 55.14(16) . . . . ?
C6 Ru1 C3 C4 66.46(11) . . . . ?
C5 Ru1 C3 C4 29.96(10) . . . . ?
C2 Ru1 C3 C4 130.77(15) . . . . ?
C1 Ru1 C3 C4 102.70(11) . . . . ?
Si2 Ru1 C3 C4 -12.43(15) . . . . ?
Si3 Ru1 C3 C4 -147.44(9) . . . . ?
C6 Ru1 C3 C2 -64.31(10) . . . . ?
C5 Ru1 C3 C2 -100.80(11) . . . . ?
C4 Ru1 C3 C2 -130.77(15) . . . . ?
C1 Ru1 C3 C2 -28.07(10) . . . . ?
Si2 Ru1 C3 C2 -143.20(9) . . . . ?
Si3 Ru1 C3 C2 81.80(10) . . . . ?
C3 Ru1 C6 C1 66.25(11) . . . . ?
C5 Ru1 C6 C1 131.14(16) . . . . ?
C2 Ru1 C6 C1 29.58(10) . . . . ?
C4 Ru1 C6 C1 102.87(11) . . . . ?
Si2 Ru1 C6 C1 -146.54(10) . . . . ?
Si3 Ru1 C6 C1 -13.61(15) . . . . ?
C3 Ru1 C6 C5 -64.89(10) . . . . ?
C2 Ru1 C6 C5 -101.56(11) . . . . ?
C4 Ru1 C6 C5 -28.27(10) . . . . ?
C1 Ru1 C6 C5 -131.14(16) . . . . ?
Si2 Ru1 C6 C5 82.32(10) . . . . ?
Si3 Ru1 C6 C5 -144.75(9) . . . . ?
C3 C2 C1 C6 0.0(3) . . . . ?
Ru1 C2 C1 C6 53.88(15) . . . . ?
C3 C2 C1 C22 -179.94(18) . . . . ?
Ru1 C2 C1 C22 -126.08(18) . . . . ?
C3 C2 C1 Ru1 -53.85(16) . . . . ?
C5 C6 C1 C2 3.1(3) . . . . ?
Ru1 C6 C1 C2 -54.42(15) . . . . ?
C5 C6 C1 C22 -176.97(18) . . . . ?
Ru1 C6 C1 C22 125.55(18) . . . . ?
C5 C6 C1 Ru1 57.48(16) . . . . ?
C3 Ru1 C1 C2 28.75(10) . . . . ?
C6 Ru1 C1 C2 130.38(16) . . . . ?
C5 Ru1 C1 C2 100.85(12) . . . . ?
C4 Ru1 C1 C2 65.04(11) . . . . ?
Si2 Ru1 C1 C2 171.86(9) . . . . ?
Si3 Ru1 C1 C2 -57.75(11) . . . . ?
C3 Ru1 C1 C6 -101.63(11) . . . . ?
C5 Ru1 C1 C6 -29.53(10) . . . . ?
C2 Ru1 C1 C6 -130.38(16) . . . . ?
C4 Ru1 C1 C6 -65.35(11) . . . . ?
Si2 Ru1 C1 C6 41.48(12) . . . . ?
Si3 Ru1 C1 C6 171.87(9) . . . . ?
C3 Ru1 C1 C22 144.30(18) . . . . ?
C6 Ru1 C1 C22 -114.1(2) . . . . ?
C5 Ru1 C1 C22 -143.60(17) . . . . ?
C2 Ru1 C1 C22 115.6(2) . . . . ?
C4 Ru1 C1 C22 -179.41(17) . . . . ?
Si2 Ru1 C1 C22 -72.59(17) . . . . ?
Si3 Ru1 C1 C22 57.80(16) . . . . ?
C3 C4 C5 C6 0.4(3) . . . . ?
C20 C4 C5 C6 179.33(17) . . . . ?
Ru1 C4 C5 C6 -53.99(16) . . . . ?
C3 C4 C5 Ru1 54.34(14) . . . . ?
C20 C4 C5 Ru1 -126.68(16) . . . . ?
C1 C6 C5 C4 -3.3(3) . . . . ?
Ru1 C6 C5 C4 54.80(16) . . . . ?
C1 C6 C5 Ru1 -58.12(16) . . . . ?
C3 Ru1 C5 C4 -30.21(10) . . . . ?
C6 Ru1 C5 C4 -132.83(15) . . . . ?
C2 Ru1 C5 C4 -67.39(10) . . . . ?
C1 Ru1 C5 C4 -103.61(11) . . . . ?
Si2 Ru1 C5 C4 128.03(10) . . . . ?
Si3 Ru1 C5 C4 -22.7(2) . . . . ?
C3 Ru1 C5 C6 102.62(11) . . . . ?
C2 Ru1 C5 C6 65.44(11) . . . . ?
C4 Ru1 C5 C6 132.83(15) . . . . ?
C1 Ru1 C5 C6 29.22(10) . . . . ?
Si2 Ru1 C5 C6 -99.14(10) . . . . ?
Si3 Ru1 C5 C6 110.10(14) . . . . ?
C9 Si3 C11 C12 64.6(2) . . . . ?
C7 Si3 C11 C12 173.98(18) . . . . ?
Ru1 Si3 C11 C12 -67.3(2) . . . . ?
C7 Si3 C9 C10 58.75(16) . . . . ?
C11 Si3 C9 C10 167.82(14) . . . . ?
Ru1 Si3 C9 C10 -64.02(16) . . . . ?
C9 Si3 C7 C8 42.63(17) . . . . ?
C11 Si3 C7 C8 -67.88(17) . . . . ?
Ru1 Si3 C7 C8 171.33(13) . . . . ?
C17 Si2 C13 C14 -65.69(16) . . . . ?
C15 Si2 C13 C14 -175.72(14) . . . . ?
Ru1 Si2 C13 C14 63.33(15) . . . . ?
C17 Si2 C15 C16 62.63(15) . . . . ?
C13 Si2 C15 C16 173.66(14) . . . . ?
Ru1 Si2 C15 C16 -67.45(15) . . . . ?
C13 Si2 C17 C18 -46.53(16) . . . . ?
C15 Si2 C17 C18 61.93(15) . . . . ?
Ru1 Si2 C17 C18 -170.87(12) . . . . ?
C5 C4 C20 C19 153.52(17) . . . . ?
C3 C4 C20 C19 -27.6(2) . . . . ?
Ru1 C4 C20 C19 63.2(2) . . . . ?
C5 C4 C20 C21 -82.0(2) . . . . ?
C3 C4 C20 C21 96.9(2) . . . . ?
Ru1 C4 C20 C21 -172.35(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.988
_diffrn_reflns_theta_full        30.61
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         1.586
_refine_diff_density_min         -1.009
_refine_diff_density_rms         0.081
_database_code_depnum_ccdc_archive 'CCDC 971350'