# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014


data_global
_journal_name_full               'To Be Published'
_journal_coden_cambridge         0353

_publ_contact_author             
;
Loic TOUPET
G.M.C.M.-UMR6626
Universite de Rennes
Campus de Beaulieu
35042 RENNES cedex , FRANCE
;
_publ_contact_author_email       
loic.toupet@univ-rennes1.fr,marc.mauduit@ensc-rennes.fr
_publ_contact_author_fax         '(33) 2 23 23 67 17'
_publ_contact_author_phone       '(33) 2 23 23 64 97'

_publ_requested_coeditor_name    ?



_publ_contact_letter             
;
;


data_eb1463

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C57 H81 Cl2 N2 P Ru'
_chemical_formula_weight         997.18

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

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbca

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

_cell_length_a                   38.966(2)
_cell_length_b                   22.2805(9)
_cell_length_c                   14.1432(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     12278.9(9)
_cell_formula_units_Z            8
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    16355
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      27.1

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.342
_exptl_crystal_size_mid          0.322
_exptl_crystal_size_min          0.035
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.079
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4240
_exptl_absorpt_coefficient_mu    0.401
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
The checkcif procedure gives one alert level A :
VERY LARGE Solvent Accessible VOID(S) in Structure
During refinement process, we have found several residual peaks
around 2 eA-3. It was not possible to assign these peaks to solvents,
so we have used the SQUEEZE procedure.
Furthermore, due to large thermal motion (not disorder), we have used
instruction AFIX 02 for C11, C42 and C43.
All these difficulties may be due to the thickness of the sample (0.035 mm).
An absorption correction don't give best results.
This thickness can also explain the R value 0.0824.
;

_diffrn_ambient_temperature      120(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 Saphire 3 Xcalibur'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean 19.64
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            96599
_diffrn_reflns_av_R_equivalents  0.1017
_diffrn_reflns_av_sigmaI/netI    0.0632
_diffrn_reflns_limit_h_min       -49
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.78
_diffrn_reflns_theta_max         27.00
_reflns_number_total             13375
_reflns_number_gt                7842
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_cell_refinement       
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_data_reduction        
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'

_computing_structure_solution    'SIR-97_(Altomare & al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'MERCURY 2.4.5(CCDC, 2011)'
_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0667P)²+105.0399P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         13375
_refine_ls_number_parameters     550
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1124
_refine_ls_R_factor_gt           0.0824
_refine_ls_wR_factor_ref         0.1924
_refine_ls_wR_factor_gt          0.1809
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_restrained_S_all      1.103
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.002

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 0.658412(16) 0.40680(3) 0.63119(4) 0.02189(16) Uani 1 1 d . . .
Cl1 Cl 0.65479(5) 0.48348(8) 0.51205(13) 0.0293(4) Uani 1 1 d . . .
Cl2 Cl 0.64352(5) 0.32018(9) 0.72322(14) 0.0309(5) Uani 1 1 d . . .
P1 P 0.62696(6) 0.47024(10) 0.74212(14) 0.0280(5) Uani 1 1 d . . .
N1 N 0.64564(18) 0.3317(3) 0.4606(5) 0.0325(17) Uani 1 1 d . . .
N2 N 0.70018(18) 0.3263(3) 0.4902(5) 0.0320(17) Uani 1 1 d . . .
C1 C 0.7017(2) 0.4197(3) 0.6836(5) 0.0219(17) Uani 1 1 d . . .
C2 C 0.7193(2) 0.3772(3) 0.7462(5) 0.0258(18) Uani 1 1 d . . .
H2 H 0.7106 0.3387 0.7627 0.031 Uiso 1 1 calc R . .
C3 C 0.7495(2) 0.3994(4) 0.7773(5) 0.0236(17) Uani 1 1 d . . .
C4 C 0.7552(2) 0.4585(3) 0.7327(5) 0.0217(17) Uani 1 1 d . . .
C5 C 0.7823(2) 0.4975(4) 0.7349(5) 0.0294(19) Uani 1 1 d . . .
H5 H 0.8020 0.4886 0.7718 0.035 Uiso 1 1 calc R . .
C6 C 0.7809(2) 0.5506(4) 0.6825(6) 0.033(2) Uani 1 1 d . . .
H6 H 0.7996 0.5780 0.6846 0.040 Uiso 1 1 calc R . .
C7 C 0.7529(2) 0.5634(4) 0.6285(6) 0.036(2) Uani 1 1 d . . .
H7 H 0.7521 0.5999 0.5939 0.043 Uiso 1 1 calc R . .
C8 C 0.7252(2) 0.5236(3) 0.6234(6) 0.0325(19) Uani 1 1 d . . .
H8 H 0.7059 0.5326 0.5850 0.039 Uiso 1 1 calc R . .
C9 C 0.7264(2) 0.4710(3) 0.6749(5) 0.0251(18) Uani 1 1 d . . .
C10 C 0.77236(19) 0.3682(3) 0.8456(4) 0.0192(16) Uani 1 1 d . . .
C11 C 0.7707(2) 0.3059(3) 0.8529(5) 0.029 Uani 1 1 d . . .
H11 H 0.7553 0.2838 0.8140 0.034 Uiso 1 1 calc R . .
C12 C 0.7914(2) 0.2764(3) 0.9167(5) 0.0271(18) Uani 1 1 d . . .
H12 H 0.7897 0.2340 0.9223 0.032 Uiso 1 1 calc R . .
C13 C 0.8148(2) 0.3071(3) 0.9732(5) 0.0275(18) Uani 1 1 d . . .
H13 H 0.8295 0.2861 1.0153 0.033 Uiso 1 1 calc R . .
C14 C 0.8161(2) 0.3684(4) 0.9665(6) 0.031(2) Uani 1 1 d . . .
H14 H 0.8316 0.3901 1.0054 0.037 Uiso 1 1 calc R . .
C15 C 0.7951(2) 0.3994(4) 0.9036(6) 0.0311(19) Uani 1 1 d . . .
H15 H 0.7962 0.4419 0.9004 0.037 Uiso 1 1 calc R . .
C16 C 0.6701(2) 0.3501(4) 0.5197(6) 0.0303(19) Uani 1 1 d . . .
C17 C 0.6589(3) 0.2971(5) 0.3816(7) 0.061(3) Uani 1 1 d . . .
H17A H 0.6555 0.3188 0.3213 0.074 Uiso 1 1 calc R . .
H17B H 0.6474 0.2576 0.3775 0.074 Uiso 1 1 calc R . .
C18 C 0.6964(2) 0.2898(5) 0.4033(6) 0.046(3) Uani 1 1 d . . .
H18A H 0.7023 0.2473 0.4148 0.055 Uiso 1 1 calc R . .
H18B H 0.7109 0.3056 0.3514 0.055 Uiso 1 1 calc R . .
C19 C 0.6095(2) 0.3480(4) 0.4679(6) 0.037(2) Uani 1 1 d . . .
H19 H 0.6082 0.3802 0.5172 0.045 Uiso 1 1 calc R . .
C20 C 0.5970(3) 0.3772(5) 0.3745(9) 0.062(3) Uani 1 1 d . . .
H20A H 0.6154 0.4044 0.3523 0.074 Uiso 1 1 calc R . .
H20B H 0.5949 0.3448 0.3269 0.074 Uiso 1 1 calc R . .
C21 C 0.5645(3) 0.4116(6) 0.3732(9) 0.072(3) Uani 1 1 d . . .
H21A H 0.5686 0.4522 0.3991 0.086 Uiso 1 1 calc R . .
H21B H 0.5474 0.3913 0.4138 0.086 Uiso 1 1 calc R . .
C22 C 0.5503(4) 0.4167(9) 0.2708(9) 0.125(7) Uani 1 1 d . . .
H22A H 0.5349 0.4520 0.2670 0.150 Uiso 1 1 calc R . .
H22B H 0.5697 0.4235 0.2268 0.150 Uiso 1 1 calc R . .
C23 C 0.5314(4) 0.3633(8) 0.2408(11) 0.101(5) Uani 1 1 d . . .
H23A H 0.5464 0.3283 0.2520 0.121 Uiso 1 1 calc R . .
H23B H 0.5281 0.3665 0.1715 0.121 Uiso 1 1 calc R . .
C24 C 0.4976(5) 0.3490(8) 0.2822(13) 0.125(7) Uani 1 1 d . . .
H24A H 0.4799 0.3736 0.2503 0.150 Uiso 1 1 calc R . .
H24B H 0.4978 0.3605 0.3499 0.150 Uiso 1 1 calc R . .
C25 C 0.4876(4) 0.2824(7) 0.2743(13) 0.111(6) Uani 1 1 d . . .
H25A H 0.4650 0.2764 0.3051 0.134 Uiso 1 1 calc R . .
H25B H 0.4851 0.2718 0.2067 0.134 Uiso 1 1 calc R . .
C26 C 0.5118(6) 0.2431(9) 0.316(2) 0.214(15) Uani 1 1 d . . .
H26A H 0.5059 0.2018 0.2964 0.257 Uiso 1 1 calc R . .
H26B H 0.5345 0.2524 0.2884 0.257 Uiso 1 1 calc R . .
C27 C 0.5162(4) 0.2422(8) 0.4201(13) 0.118(7) Uani 1 1 d . . .
H27A H 0.4952 0.2234 0.4460 0.141 Uiso 1 1 calc R . .
H27B H 0.5158 0.2846 0.4407 0.141 Uiso 1 1 calc R . .
C28 C 0.5452(4) 0.2140(6) 0.4695(17) 0.146(9) Uani 1 1 d . . .
H28A H 0.5463 0.1709 0.4529 0.176 Uiso 1 1 calc R . .
H28B H 0.5417 0.2172 0.5387 0.176 Uiso 1 1 calc R . .
C29 C 0.5809(4) 0.2468(6) 0.4402(12) 0.097(5) Uani 1 1 d . . .
H29A H 0.6002 0.2181 0.4461 0.116 Uiso 1 1 calc R . .
H29B H 0.5798 0.2605 0.3737 0.116 Uiso 1 1 calc R . .
C30 C 0.5864(3) 0.2976(5) 0.5021(7) 0.065(3) Uani 1 1 d . . .
H30A H 0.5960 0.2822 0.5622 0.079 Uiso 1 1 calc R . .
H30B H 0.5637 0.3152 0.5169 0.079 Uiso 1 1 calc R . .
C31 C 0.7331(2) 0.3319(4) 0.5333(5) 0.0288(19) Uani 1 1 d . . .
C32 C 0.7453(2) 0.2860(4) 0.5922(6) 0.032(2) Uani 1 1 d . . .
C33 C 0.7782(2) 0.2892(4) 0.6254(6) 0.035(2) Uani 1 1 d . . .
H33 H 0.7866 0.2579 0.6649 0.042 Uiso 1 1 calc R . .
C34 C 0.7996(2) 0.3366(4) 0.6033(6) 0.038(2) Uani 1 1 d . . .
C35 C 0.7874(2) 0.3807(4) 0.5436(6) 0.035(2) Uani 1 1 d . . .
H35 H 0.8022 0.4131 0.5276 0.042 Uiso 1 1 calc R . .
C36 C 0.7545(2) 0.3799(4) 0.5061(5) 0.0276(19) Uani 1 1 d . . .
C37 C 0.7223(3) 0.2341(4) 0.6183(6) 0.041(2) Uani 1 1 d . . .
H37A H 0.6999 0.2392 0.5880 0.062 Uiso 1 1 calc R . .
H37B H 0.7194 0.2328 0.6871 0.062 Uiso 1 1 calc R . .
H37C H 0.7327 0.1965 0.5967 0.062 Uiso 1 1 calc R . .
C38 C 0.8352(3) 0.3410(5) 0.6431(8) 0.062(3) Uani 1 1 d . . .
H38A H 0.8396 0.3062 0.6837 0.093 Uiso 1 1 calc R . .
H38B H 0.8373 0.3779 0.6804 0.093 Uiso 1 1 calc R . .
H38C H 0.8519 0.3417 0.5913 0.093 Uiso 1 1 calc R . .
C39 C 0.7426(2) 0.4266(4) 0.4384(6) 0.041(2) Uani 1 1 d . . .
H39A H 0.7188 0.4182 0.4200 0.061 Uiso 1 1 calc R . .
H39B H 0.7573 0.4261 0.3821 0.061 Uiso 1 1 calc R . .
H39C H 0.7438 0.4661 0.4685 0.061 Uiso 1 1 calc R . .
C40 C 0.6267(2) 0.4427(4) 0.8662(6) 0.036(2) Uani 1 1 d . . .
H40 H 0.6160 0.4020 0.8622 0.044 Uiso 1 1 calc R . .
C41 C 0.6622(2) 0.4310(4) 0.9093(6) 0.033(2) Uani 1 1 d . . .
H41A H 0.6766 0.4090 0.8633 0.040 Uiso 1 1 calc R . .
H41B H 0.6735 0.4697 0.9235 0.040 Uiso 1 1 calc R . .
C42 C 0.6587(3) 0.3944(5) 0.9995(6) 0.060 Uani 1 1 d . . .
H42A H 0.6817 0.3873 1.0267 0.072 Uiso 1 1 calc R . .
H42B H 0.6484 0.3550 0.9844 0.072 Uiso 1 1 calc R . .
C43 C 0.6363(3) 0.4266(5) 1.0721(6) 0.057 Uani 1 1 d . . .
H43A H 0.6480 0.4637 1.0934 0.069 Uiso 1 1 calc R . .
H43B H 0.6329 0.4004 1.1278 0.069 Uiso 1 1 calc R . .
C44 C 0.6012(3) 0.4426(6) 1.0284(7) 0.062(3) Uani 1 1 d . . .
H44A H 0.5881 0.4052 1.0167 0.075 Uiso 1 1 calc R . .
H44B H 0.5880 0.4670 1.0742 0.075 Uiso 1 1 calc R . .
C45 C 0.6045(3) 0.4765(5) 0.9378(6) 0.049(3) Uani 1 1 d . . .
H45A H 0.6149 0.5162 0.9507 0.059 Uiso 1 1 calc R . .
H45B H 0.5815 0.4832 0.9105 0.059 Uiso 1 1 calc R . .
C46 C 0.6376(2) 0.5515(4) 0.7387(5) 0.033(2) Uani 1 1 d . . .
H46 H 0.6439 0.5602 0.6715 0.040 Uiso 1 1 calc R . .
C47 C 0.6696(2) 0.5672(4) 0.7974(6) 0.035(2) Uani 1 1 d . . .
H47A H 0.6643 0.5626 0.8655 0.041 Uiso 1 1 calc R . .
H47B H 0.6883 0.5388 0.7817 0.041 Uiso 1 1 calc R . .
C48 C 0.6817(3) 0.6311(4) 0.7785(7) 0.043(2) Uani 1 1 d . . .
H48A H 0.7020 0.6399 0.8179 0.051 Uiso 1 1 calc R . .
H48B H 0.6884 0.6350 0.7113 0.051 Uiso 1 1 calc R . .
C49 C 0.6536(3) 0.6761(4) 0.8005(7) 0.050(3) Uani 1 1 d . . .
H49A H 0.6488 0.6757 0.8692 0.060 Uiso 1 1 calc R . .
H49B H 0.6614 0.7169 0.7830 0.060 Uiso 1 1 calc R . .
C50 C 0.6212(3) 0.6611(4) 0.7467(8) 0.064(3) Uani 1 1 d . . .
H50A H 0.6254 0.6666 0.6782 0.077 Uiso 1 1 calc R . .
H50B H 0.6028 0.6893 0.7657 0.077 Uiso 1 1 calc R . .
C51 C 0.6091(3) 0.5972(4) 0.7640(8) 0.052(3) Uani 1 1 d . . .
H51A H 0.5885 0.5890 0.7252 0.062 Uiso 1 1 calc R . .
H51B H 0.6027 0.5924 0.8313 0.062 Uiso 1 1 calc R . .
C52 C 0.5802(2) 0.4701(4) 0.7133(6) 0.037(2) Uani 1 1 d . . .
H52 H 0.5689 0.4991 0.7572 0.044 Uiso 1 1 calc R . .
C53 C 0.5736(2) 0.4927(4) 0.6127(6) 0.039(2) Uani 1 1 d . . .
H53A H 0.5834 0.4641 0.5664 0.047 Uiso 1 1 calc R . .
H53B H 0.5850 0.5320 0.6036 0.047 Uiso 1 1 calc R . .
C54 C 0.5350(3) 0.4990(6) 0.5961(8) 0.063(3) Uani 1 1 d . . .
H54A H 0.5257 0.5302 0.6388 0.076 Uiso 1 1 calc R . .
H54B H 0.5308 0.5120 0.5302 0.076 Uiso 1 1 calc R . .
C55 C 0.5162(3) 0.4401(6) 0.6139(7) 0.063(3) Uani 1 1 d . . .
H55A H 0.4912 0.4465 0.6071 0.076 Uiso 1 1 calc R . .
H55B H 0.5234 0.4101 0.5662 0.076 Uiso 1 1 calc R . .
C56 C 0.5237(3) 0.4167(6) 0.7106(8) 0.072(4) Uani 1 1 d . . .
H56A H 0.5124 0.3773 0.7188 0.086 Uiso 1 1 calc R . .
H56B H 0.5141 0.4446 0.7582 0.086 Uiso 1 1 calc R . .
C57 C 0.5629(2) 0.4095(5) 0.7284(7) 0.052(3) Uani 1 1 d . . .
H57A H 0.5670 0.3954 0.7938 0.062 Uiso 1 1 calc R . .
H57B H 0.5726 0.3795 0.6842 0.062 Uiso 1 1 calc R . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate
(isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C1 1.863(8) . ?
Ru1 C16 2.071(8) . ?
Ru1 Cl2 2.399(2) . ?
Ru1 Cl1 2.4038(19) . ?
Ru1 P1 2.442(2) . ?
P1 C46 1.858(9) . ?
P1 C40 1.860(9) . ?
P1 C52 1.869(9) . ?
N1 C16 1.332(10) . ?
N1 C19 1.456(11) . ?
N1 C17 1.452(10) . ?
N2 C16 1.353(10) . ?
N2 C31 1.426(10) . ?
N2 C18 1.481(10) . ?
C1 C2 1.468(10) . ?
C1 C9 1.500(10) . ?
C2 C3 1.349(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.477(10) . ?
C3 C10 1.488(10) . ?
C4 C5 1.368(11) . ?
C4 C9 1.418(10) . ?
C5 C6 1.397(11) . ?
C5 H5 0.9500 . ?
C6 C7 1.363(12) . ?
C6 H6 0.9500 . ?
C7 C8 1.398(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.380(11) . ?
C8 H8 0.9500 . ?
C10 C11 1.394(10) . ?
C10 C15 1.392(10) . ?
C11 C12 1.378(11) . ?
C11 H11 0.9500 . ?
C12 C13 1.391(11) . ?
C12 H12 0.9500 . ?
C13 C14 1.370(11) . ?
C13 H13 0.9500 . ?
C14 C15 1.393(11) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C17 C18 1.503(13) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C30 1.519(13) . ?
C19 C20 1.551(13) . ?
C19 H19 1.0000 . ?
C20 C21 1.480(14) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.555(16) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.46(2) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.47(2) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.54(2) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.42(2) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.48(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.47(2) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.627(19) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.448(17) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.400(11) . ?
C31 C36 1.411(12) . ?
C32 C33 1.367(12) . ?
C32 C37 1.510(12) . ?
C33 C34 1.382(13) . ?
C33 H33 0.9500 . ?
C34 C35 1.381(12) . ?
C34 C38 1.498(13) . ?
C35 C36 1.389(12) . ?
C35 H35 0.9500 . ?
C36 C39 1.487(11) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.531(11) . ?
C40 C45 1.531(11) . ?
C40 H40 1.0000 . ?
C41 C42 1.520(12) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 C43 1.525(13) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.544(14) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.494(13) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 C47 1.538(11) . ?
C46 C51 1.548(11) . ?
C46 H46 1.0000 . ?
C47 C48 1.524(12) . ?
C47 H47A 0.9900 . ?
C47 H47B 0.9900 . ?
C48 C49 1.515(12) . ?
C48 H48A 0.9900 . ?
C48 H48B 0.9900 . ?
C49 C50 1.511(14) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.519(14) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C51 H51A 0.9900 . ?
C51 H51B 0.9900 . ?
C52 C53 1.530(11) . ?
C52 C57 1.523(13) . ?
C52 H52 1.0000 . ?
C53 C54 1.531(12) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.523(16) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 C56 1.494(14) . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
C56 C57 1.554(13) . ?
C56 H56A 0.9900 . ?
C56 H56B 0.9900 . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?

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
C1 Ru1 C16 101.4(3) . . ?
C1 Ru1 Cl2 97.3(2) . . ?
C16 Ru1 Cl2 88.6(2) . . ?
C1 Ru1 Cl1 102.8(2) . . ?
C16 Ru1 Cl1 85.0(2) . . ?
Cl2 Ru1 Cl1 159.70(7) . . ?
C1 Ru1 P1 96.3(2) . . ?
C16 Ru1 P1 162.3(2) . . ?
Cl2 Ru1 P1 89.75(8) . . ?
Cl1 Ru1 P1 90.55(7) . . ?
C46 P1 C40 110.4(4) . . ?
C46 P1 C52 102.4(4) . . ?
C40 P1 C52 101.6(4) . . ?
C46 P1 Ru1 115.8(3) . . ?
C40 P1 Ru1 114.7(3) . . ?
C52 P1 Ru1 110.4(3) . . ?
C16 N1 C19 124.7(7) . . ?
C16 N1 C17 113.1(7) . . ?
C19 N1 C17 122.0(7) . . ?
C16 N2 C31 127.8(7) . . ?
C16 N2 C18 112.7(7) . . ?
C31 N2 C18 119.5(7) . . ?
C2 C1 C9 103.9(6) . . ?
C2 C1 Ru1 124.3(5) . . ?
C9 C1 Ru1 131.7(5) . . ?
C3 C2 C1 111.5(7) . . ?
C3 C2 H2 124.2 . . ?
C1 C2 H2 124.2 . . ?
C2 C3 C4 108.7(7) . . ?
C2 C3 C10 124.2(7) . . ?
C4 C3 C10 127.1(7) . . ?
C5 C4 C9 120.0(7) . . ?
C5 C4 C3 132.4(7) . . ?
C9 C4 C3 107.5(7) . . ?
C4 C5 C6 119.7(8) . . ?
C4 C5 H5 120.2 . . ?
C6 C5 H5 120.2 . . ?
C7 C6 C5 120.4(8) . . ?
C7 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C6 C7 C8 120.9(8) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C9 C8 C7 119.1(8) . . ?
C9 C8 H8 120.4 . . ?
C7 C8 H8 120.4 . . ?
C8 C9 C4 119.8(7) . . ?
C8 C9 C1 132.0(7) . . ?
C4 C9 C1 108.2(7) . . ?
C11 C10 C15 118.9(7) . . ?
C11 C10 C3 119.1(7) . . ?
C15 C10 C3 122.0(7) . . ?
C12 C11 C10 119.8(7) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C12 C13 121.7(7) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 H12 119.2 . . ?
C14 C13 C12 118.4(7) . . ?
C14 C13 H13 120.8 . . ?
C12 C13 H13 120.8 . . ?
C13 C14 C15 121.1(8) . . ?
C13 C14 H14 119.5 . . ?
C15 C14 H14 119.5 . . ?
C14 C15 C10 120.2(7) . . ?
C14 C15 H15 119.9 . . ?
C10 C15 H15 119.9 . . ?
N1 C16 N2 107.8(7) . . ?
N1 C16 Ru1 120.5(6) . . ?
N2 C16 Ru1 131.7(6) . . ?
N1 C17 C18 104.2(7) . . ?
N1 C17 H17A 110.9 . . ?
C18 C17 H17A 110.9 . . ?
N1 C17 H17B 110.9 . . ?
C18 C17 H17B 110.9 . . ?
H17A C17 H17B 108.9 . . ?
N2 C18 C17 101.9(7) . . ?
N2 C18 H18A 111.4 . . ?
C17 C18 H18A 111.4 . . ?
N2 C18 H18B 111.4 . . ?
C17 C18 H18B 111.4 . . ?
H18A C18 H18B 109.2 . . ?
N1 C19 C30 114.2(8) . . ?
N1 C19 C20 110.3(8) . . ?
C30 C19 C20 113.2(8) . . ?
N1 C19 H19 106.1 . . ?
C30 C19 H19 106.1 . . ?
C20 C19 H19 106.1 . . ?
C21 C20 C19 119.7(10) . . ?
C21 C20 H20A 107.4 . . ?
C19 C20 H20A 107.4 . . ?
C21 C20 H20B 107.4 . . ?
C19 C20 H20B 107.4 . . ?
H20A C20 H20B 106.9 . . ?
C20 C21 C22 110.8(12) . . ?
C20 C21 H21A 109.5 . . ?
C22 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 108.1 . . ?
C23 C22 C21 113.0(13) . . ?
C23 C22 H22A 109.0 . . ?
C21 C22 H22A 109.0 . . ?
C23 C22 H22B 109.0 . . ?
C21 C22 H22B 109.0 . . ?
H22A C22 H22B 107.8 . . ?
C22 C23 C24 120.7(15) . . ?
C22 C23 H23A 107.2 . . ?
C24 C23 H23A 107.2 . . ?
C22 C23 H23B 107.2 . . ?
C24 C23 H23B 107.2 . . ?
H23A C23 H23B 106.8 . . ?
C23 C24 C25 114.0(15) . . ?
C23 C24 H24A 108.8 . . ?
C25 C24 H24A 108.8 . . ?
C23 C24 H24B 108.8 . . ?
C25 C24 H24B 108.8 . . ?
H24A C24 H24B 107.7 . . ?
C26 C25 C24 113.3(13) . . ?
C26 C25 H25A 108.9 . . ?
C24 C25 H25A 108.9 . . ?
C26 C25 H25B 108.9 . . ?
C24 C25 H25B 108.9 . . ?
H25A C25 H25B 107.7 . . ?
C27 C26 C25 120(2) . . ?
C27 C26 H26A 107.3 . . ?
C25 C26 H26A 107.3 . . ?
C27 C26 H26B 107.3 . . ?
C25 C26 H26B 107.3 . . ?
H26A C26 H26B 106.9 . . ?
C26 C27 C28 124(2) . . ?
C26 C27 H27A 106.2 . . ?
C28 C27 H27A 106.2 . . ?
C26 C27 H27B 106.2 . . ?
C28 C27 H27B 106.2 . . ?
H27A C27 H27B 106.4 . . ?
C27 C28 C29 110.2(13) . . ?
C27 C28 H28A 109.6 . . ?
C29 C28 H28A 109.6 . . ?
C27 C28 H28B 109.6 . . ?
C29 C28 H28B 109.6 . . ?
H28A C28 H28B 108.1 . . ?
C30 C29 C28 108.8(13) . . ?
C30 C29 H29A 109.9 . . ?
C28 C29 H29A 109.9 . . ?
C30 C29 H29B 109.9 . . ?
C28 C29 H29B 109.9 . . ?
H29A C29 H29B 108.3 . . ?
C29 C30 C19 118.3(10) . . ?
C29 C30 H30A 107.7 . . ?
C19 C30 H30A 107.7 . . ?
C29 C30 H30B 107.7 . . ?
C19 C30 H30B 107.7 . . ?
H30A C30 H30B 107.1 . . ?
C32 C31 C36 121.0(8) . . ?
C32 C31 N2 119.7(8) . . ?
C36 C31 N2 118.7(7) . . ?
C33 C32 C31 119.0(8) . . ?
C33 C32 C37 120.8(8) . . ?
C31 C32 C37 120.2(8) . . ?
C32 C33 C34 121.9(8) . . ?
C32 C33 H33 119.1 . . ?
C34 C33 H33 119.1 . . ?
C33 C34 C35 118.3(8) . . ?
C33 C34 C38 121.5(9) . . ?
C35 C34 C38 120.1(9) . . ?
C34 C35 C36 122.9(9) . . ?
C34 C35 H35 118.5 . . ?
C36 C35 H35 118.5 . . ?
C35 C36 C31 116.8(7) . . ?
C35 C36 C39 121.7(8) . . ?
C31 C36 C39 121.5(8) . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C34 C38 H38A 109.5 . . ?
C34 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C34 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 C45 109.3(7) . . ?
C41 C40 P1 115.3(6) . . ?
C45 C40 P1 117.6(6) . . ?
C41 C40 H40 104.3 . . ?
C45 C40 H40 104.3 . . ?
P1 C40 H40 104.3 . . ?
C42 C41 C40 110.1(8) . . ?
C42 C41 H41A 109.6 . . ?
C40 C41 H41A 109.6 . . ?
C42 C41 H41B 109.6 . . ?
C40 C41 H41B 109.6 . . ?
H41A C41 H41B 108.2 . . ?
C41 C42 C43 111.4(9) . . ?
C41 C42 H42A 109.4 . . ?
C43 C42 H42A 109.4 . . ?
C41 C42 H42B 109.4 . . ?
C43 C42 H42B 109.4 . . ?
H42A C42 H42B 108.0 . . ?
C42 C43 C44 110.3(8) . . ?
C42 C43 H43A 109.6 . . ?
C44 C43 H43A 109.6 . . ?
C42 C43 H43B 109.6 . . ?
C44 C43 H43B 109.6 . . ?
H43A C43 H43B 108.1 . . ?
C45 C44 C43 112.4(9) . . ?
C45 C44 H44A 109.1 . . ?
C43 C44 H44A 109.1 . . ?
C45 C44 H44B 109.1 . . ?
C43 C44 H44B 109.1 . . ?
H44A C44 H44B 107.8 . . ?
C44 C45 C40 111.6(9) . . ?
C44 C45 H45A 109.3 . . ?
C40 C45 H45A 109.3 . . ?
C44 C45 H45B 109.3 . . ?
C40 C45 H45B 109.3 . . ?
H45A C45 H45B 108.0 . . ?
C47 C46 C51 107.9(7) . . ?
C47 C46 P1 112.8(6) . . ?
C51 C46 P1 118.3(7) . . ?
C47 C46 H46 105.6 . . ?
C51 C46 H46 105.6 . . ?
P1 C46 H46 105.6 . . ?
C48 C47 C46 111.5(7) . . ?
C48 C47 H47A 109.3 . . ?
C46 C47 H47A 109.3 . . ?
C48 C47 H47B 109.3 . . ?
C46 C47 H47B 109.3 . . ?
H47A C47 H47B 108.0 . . ?
C49 C48 C47 111.1(8) . . ?
C49 C48 H48A 109.4 . . ?
C47 C48 H48A 109.4 . . ?
C49 C48 H48B 109.4 . . ?
C47 C48 H48B 109.4 . . ?
H48A C48 H48B 108.0 . . ?
C50 C49 C48 110.7(8) . . ?
C50 C49 H49A 109.5 . . ?
C48 C49 H49A 109.5 . . ?
C50 C49 H49B 109.5 . . ?
C48 C49 H49B 109.5 . . ?
H49A C49 H49B 108.1 . . ?
C49 C50 C51 112.6(8) . . ?
C49 C50 H50A 109.1 . . ?
C51 C50 H50A 109.1 . . ?
C49 C50 H50B 109.1 . . ?
C51 C50 H50B 109.1 . . ?
H50A C50 H50B 107.8 . . ?
C50 C51 C46 110.8(9) . . ?
C50 C51 H51A 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C50 C51 H51B 109.5 . . ?
C46 C51 H51B 109.5 . . ?
H51A C51 H51B 108.1 . . ?
C53 C52 C57 110.4(7) . . ?
C53 C52 P1 111.4(6) . . ?
C57 C52 P1 113.7(6) . . ?
C53 C52 H52 107.0 . . ?
C57 C52 H52 107.0 . . ?
P1 C52 H52 107.0 . . ?
C52 C53 C54 109.6(8) . . ?
C52 C53 H53A 109.7 . . ?
C54 C53 H53A 109.7 . . ?
C52 C53 H53B 109.7 . . ?
C54 C53 H53B 109.7 . . ?
H53A C53 H53B 108.2 . . ?
C55 C54 C53 111.7(9) . . ?
C55 C54 H54A 109.3 . . ?
C53 C54 H54A 109.3 . . ?
C55 C54 H54B 109.3 . . ?
C53 C54 H54B 109.3 . . ?
H54A C54 H54B 107.9 . . ?
C56 C55 C54 110.9(9) . . ?
C56 C55 H55A 109.5 . . ?
C54 C55 H55A 109.5 . . ?
C56 C55 H55B 109.5 . . ?
C54 C55 H55B 109.5 . . ?
H55A C55 H55B 108.0 . . ?
C55 C56 C57 112.2(8) . . ?
C55 C56 H56A 109.2 . . ?
C57 C56 H56A 109.2 . . ?
C55 C56 H56B 109.2 . . ?
C57 C56 H56B 109.2 . . ?
H56A C56 H56B 107.9 . . ?
C52 C57 C56 108.7(9) . . ?
C52 C57 H57A 110.0 . . ?
C56 C57 H57A 110.0 . . ?
C52 C57 H57B 110.0 . . ?
C56 C57 H57B 110.0 . . ?
H57A C57 H57B 108.3 . . ?

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
C1 Ru1 P1 C46 64.2(4) . . . . ?
C16 Ru1 P1 C46 -113.9(8) . . . . ?
Cl2 Ru1 P1 C46 161.5(3) . . . . ?
Cl1 Ru1 P1 C46 -38.8(3) . . . . ?
C1 Ru1 P1 C40 -66.1(4) . . . . ?
C16 Ru1 P1 C40 115.8(8) . . . . ?
Cl2 Ru1 P1 C40 31.2(3) . . . . ?
Cl1 Ru1 P1 C40 -169.1(3) . . . . ?
C1 Ru1 P1 C52 179.9(4) . . . . ?
C16 Ru1 P1 C52 1.8(8) . . . . ?
Cl2 Ru1 P1 C52 -82.8(3) . . . . ?
Cl1 Ru1 P1 C52 76.9(3) . . . . ?
C16 Ru1 C1 C2 -79.4(6) . . . . ?
Cl2 Ru1 C1 C2 10.7(6) . . . . ?
Cl1 Ru1 C1 C2 -166.8(6) . . . . ?
P1 Ru1 C1 C2 101.2(6) . . . . ?
C16 Ru1 C1 C9 100.2(7) . . . . ?
Cl2 Ru1 C1 C9 -169.7(6) . . . . ?
Cl1 Ru1 C1 C9 12.8(7) . . . . ?
P1 Ru1 C1 C9 -79.2(7) . . . . ?
C9 C1 C2 C3 3.4(8) . . . . ?
Ru1 C1 C2 C3 -176.9(5) . . . . ?
C1 C2 C3 C4 -3.1(8) . . . . ?
C1 C2 C3 C10 176.8(6) . . . . ?
C2 C3 C4 C5 -175.0(8) . . . . ?
C10 C3 C4 C5 5.1(13) . . . . ?
C2 C3 C4 C9 1.5(8) . . . . ?
C10 C3 C4 C9 -178.4(6) . . . . ?
C9 C4 C5 C6 2.2(11) . . . . ?
C3 C4 C5 C6 178.3(8) . . . . ?
C4 C5 C6 C7 -0.8(12) . . . . ?
C5 C6 C7 C8 -0.8(13) . . . . ?
C6 C7 C8 C9 0.8(13) . . . . ?
C7 C8 C9 C4 0.7(12) . . . . ?
C7 C8 C9 C1 -179.1(8) . . . . ?
C5 C4 C9 C8 -2.2(11) . . . . ?
C3 C4 C9 C8 -179.1(7) . . . . ?
C5 C4 C9 C1 177.7(7) . . . . ?
C3 C4 C9 C1 0.7(8) . . . . ?
C2 C1 C9 C8 177.4(8) . . . . ?
Ru1 C1 C9 C8 -2.3(13) . . . . ?
C2 C1 C9 C4 -2.4(8) . . . . ?
Ru1 C1 C9 C4 177.9(6) . . . . ?
C2 C3 C10 C11 24.8(11) . . . . ?
C4 C3 C10 C11 -155.3(7) . . . . ?
C2 C3 C10 C15 -154.1(8) . . . . ?
C4 C3 C10 C15 25.8(11) . . . . ?
C15 C10 C11 C12 -0.1(11) . . . . ?
C3 C10 C11 C12 -179.1(7) . . . . ?
C10 C11 C12 C13 -1.6(12) . . . . ?
C11 C12 C13 C14 2.2(12) . . . . ?
C12 C13 C14 C15 -1.1(12) . . . . ?
C13 C14 C15 C10 -0.5(13) . . . . ?
C11 C10 C15 C14 1.2(12) . . . . ?
C3 C10 C15 C14 -179.9(7) . . . . ?
C19 N1 C16 N2 -179.6(7) . . . . ?
C17 N1 C16 N2 -4.5(10) . . . . ?
C19 N1 C16 Ru1 -0.7(11) . . . . ?
C17 N1 C16 Ru1 174.3(7) . . . . ?
C31 N2 C16 N1 -177.6(8) . . . . ?
C18 N2 C16 N1 1.3(10) . . . . ?
C31 N2 C16 Ru1 3.7(13) . . . . ?
C18 N2 C16 Ru1 -177.3(7) . . . . ?
C1 Ru1 C16 N1 -177.3(6) . . . . ?
Cl2 Ru1 C16 N1 85.5(6) . . . . ?
Cl1 Ru1 C16 N1 -75.2(6) . . . . ?
P1 Ru1 C16 N1 0.7(13) . . . . ?
C1 Ru1 C16 N2 1.2(8) . . . . ?
Cl2 Ru1 C16 N2 -96.0(8) . . . . ?
Cl1 Ru1 C16 N2 103.3(8) . . . . ?
P1 Ru1 C16 N2 179.3(4) . . . . ?
C16 N1 C17 C18 5.7(12) . . . . ?
C19 N1 C17 C18 -179.1(8) . . . . ?
C16 N2 C18 C17 2.1(11) . . . . ?
C31 N2 C18 C17 -178.9(8) . . . . ?
N1 C17 C18 N2 -4.3(11) . . . . ?
C16 N1 C19 C30 -106.9(9) . . . . ?
C17 N1 C19 C30 78.4(11) . . . . ?
C16 N1 C19 C20 124.1(9) . . . . ?
C17 N1 C19 C20 -50.5(11) . . . . ?
N1 C19 C20 C21 -163.9(9) . . . . ?
C30 C19 C20 C21 66.7(13) . . . . ?
C19 C20 C21 C22 -159.5(11) . . . . ?
C20 C21 C22 C23 81.7(16) . . . . ?
C21 C22 C23 C24 70(2) . . . . ?
C22 C23 C24 C25 -157.5(14) . . . . ?
C23 C24 C25 C26 57(2) . . . . ?
C24 C25 C26 C27 69(3) . . . . ?
C25 C26 C27 C28 -165.7(16) . . . . ?
C26 C27 C28 C29 62(2) . . . . ?
C27 C28 C29 C30 87.2(19) . . . . ?
C28 C29 C30 C19 -157.1(11) . . . . ?
N1 C19 C30 C29 -68.8(13) . . . . ?
C20 C19 C30 C29 58.6(14) . . . . ?
C16 N2 C31 C32 97.8(10) . . . . ?
C18 N2 C31 C32 -81.1(10) . . . . ?
C16 N2 C31 C36 -90.3(10) . . . . ?
C18 N2 C31 C36 90.8(9) . . . . ?
C36 C31 C32 C33 1.8(11) . . . . ?
N2 C31 C32 C33 173.6(7) . . . . ?
C36 C31 C32 C37 -178.3(7) . . . . ?
N2 C31 C32 C37 -6.5(11) . . . . ?
C31 C32 C33 C34 0.6(12) . . . . ?
C37 C32 C33 C34 -179.4(8) . . . . ?
C32 C33 C34 C35 -1.9(12) . . . . ?
C32 C33 C34 C38 177.5(8) . . . . ?
C33 C34 C35 C36 0.9(12) . . . . ?
C38 C34 C35 C36 -178.5(8) . . . . ?
C34 C35 C36 C31 1.4(11) . . . . ?
C34 C35 C36 C39 -177.0(8) . . . . ?
C32 C31 C36 C35 -2.7(11) . . . . ?
N2 C31 C36 C35 -174.6(7) . . . . ?
C32 C31 C36 C39 175.7(7) . . . . ?
N2 C31 C36 C39 3.9(11) . . . . ?
C46 P1 C40 C41 -78.1(7) . . . . ?
C52 P1 C40 C41 173.8(6) . . . . ?
Ru1 P1 C40 C41 54.8(7) . . . . ?
C46 P1 C40 C45 53.2(8) . . . . ?
C52 P1 C40 C45 -54.9(8) . . . . ?
Ru1 P1 C40 C45 -173.9(6) . . . . ?
C45 C40 C41 C42 59.1(10) . . . . ?
P1 C40 C41 C42 -165.8(7) . . . . ?
C40 C41 C42 C43 -58.8(11) . . . . ?
C41 C42 C43 C44 54.6(13) . . . . ?
C42 C43 C44 C45 -53.0(13) . . . . ?
C43 C44 C45 C40 55.1(13) . . . . ?
C41 C40 C45 C44 -57.7(11) . . . . ?
P1 C40 C45 C44 168.3(7) . . . . ?
C40 P1 C46 C47 49.1(7) . . . . ?
C52 P1 C46 C47 156.6(6) . . . . ?
Ru1 P1 C46 C47 -83.3(6) . . . . ?
C40 P1 C46 C51 -78.2(7) . . . . ?
C52 P1 C46 C51 29.3(7) . . . . ?
Ru1 P1 C46 C51 149.5(6) . . . . ?
C51 C46 C47 C48 -58.2(9) . . . . ?
P1 C46 C47 C48 169.2(6) . . . . ?
C46 C47 C48 C49 58.3(9) . . . . ?
C47 C48 C49 C50 -54.9(11) . . . . ?
C48 C49 C50 C51 54.8(12) . . . . ?
C49 C50 C51 C46 -56.7(12) . . . . ?
C47 C46 C51 C50 56.9(10) . . . . ?
P1 C46 C51 C50 -173.6(7) . . . . ?
C46 P1 C52 C53 64.9(7) . . . . ?
C40 P1 C52 C53 179.0(6) . . . . ?
Ru1 P1 C52 C53 -59.0(7) . . . . ?
C46 P1 C52 C57 -169.6(6) . . . . ?
C40 P1 C52 C57 -55.5(7) . . . . ?
Ru1 P1 C52 C57 66.6(7) . . . . ?
C57 C52 C53 C54 59.4(11) . . . . ?
P1 C52 C53 C54 -173.3(7) . . . . ?
C52 C53 C54 C55 -56.7(11) . . . . ?
C53 C54 C55 C56 55.0(12) . . . . ?
C54 C55 C56 C57 -55.4(14) . . . . ?
C53 C52 C57 C56 -58.9(10) . . . . ?
P1 C52 C57 C56 175.1(7) . . . . ?
C55 C56 C57 C52 57.5(13) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         1.193
_refine_diff_density_min         -2.645
_refine_diff_density_rms         0.119
_database_code_depnum_ccdc_archive 'CCDC 843466'

data_mr244_120k

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H48 Cl2 F3 N3 O2 Ru'
_chemical_formula_weight         783.74

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'
F F 0.0171 0.0103 '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   P21/n

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

_cell_length_a                   18.7213(3)
_cell_length_b                   8.63550(10)
_cell_length_c                   25.2389(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.3760(10)
_cell_angle_gamma                90.00
_cell_volume                     4073.24(9)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    6422
_cell_measurement_theta_min      2.60
_cell_measurement_theta_max      27.5

_exptl_crystal_description       prism
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.343
_exptl_crystal_size_mid          0.278
_exptl_crystal_size_min          0.102
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1624
_exptl_absorpt_coefficient_mu    0.562
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;

The checkcif process gives one alert level A
 "Solvent Accessible VOIDS of . 287 A**3" : this is due to some
residual peaks corresponding to probably disordered mixture of
CH2CL2 and hexane. The procedure Squeeze was used.
;

_diffrn_ambient_temperature      120(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 Saphire 3 Xcalibur'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean 16.1852
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            56848
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_av_sigmaI/netI    0.0550
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.60
_diffrn_reflns_theta_max         27.00
_reflns_number_total             8874
_reflns_number_gt                6353
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_cell_refinement       
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_data_reduction        
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'

_computing_structure_solution    'SIR-97_(Altomare & al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'MERCURY 2.4.5(CCDC, 2011)'
_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1131P)²+1.4382P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8874
_refine_ls_number_parameters     461
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0629
_refine_ls_R_factor_gt           0.0370
_refine_ls_wR_factor_ref         0.1149
_refine_ls_wR_factor_gt          0.1016
_refine_ls_goodness_of_fit_ref   0.655
_refine_ls_restrained_S_all      0.655
_refine_ls_shift/su_max          0.003
_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 0.672112(12) 0.23225(3) 0.926740(8) 0.02594(8) Uani 1 1 d . . .
Cl1 Cl 0.74742(4) 0.41217(9) 0.97106(3) 0.03644(18) Uani 1 1 d . . .
Cl2 Cl 0.63812(4) -0.01373(9) 0.89811(3) 0.03919(19) Uani 1 1 d . . .
O1 O 0.61181(11) 0.1960(3) 1.00156(8) 0.0350(5) Uani 1 1 d . . .
N1 N 0.33467(13) 0.3867(3) 0.94386(10) 0.0354(6) Uani 1 1 d . A .
H1A H 0.3084 0.4343 0.9666 0.043 Uiso 1 1 calc R . .
N2 N 0.70670(13) 0.3253(3) 0.81287(9) 0.0295(5) Uani 1 1 d . . .
N3 N 0.78854(12) 0.1902(3) 0.85523(9) 0.0270(5) Uani 1 1 d . . .
C1 C 0.58968(15) 0.3352(4) 0.90973(11) 0.0321(7) Uani 1 1 d . . .
H1 H 0.5853 0.3981 0.8788 0.039 Uiso 1 1 calc R . .
C2 C 0.53035(15) 0.3206(3) 0.94383(11) 0.0295(6) Uani 1 1 d . . .
C3 C 0.46172(15) 0.3716(3) 0.92789(11) 0.0305(6) Uani 1 1 d . . .
H3 H 0.4533 0.4233 0.8949 0.037 Uiso 1 1 calc R . .
C4 C 0.40595(15) 0.3464(3) 0.96062(12) 0.0314(6) Uani 1 1 d . . .
C5 C 0.41924(17) 0.2742(3) 1.00929(12) 0.0365(7) Uani 1 1 d . . .
H5 H 0.3810 0.2602 1.0319 0.044 Uiso 1 1 calc R . .
C6 C 0.48713(17) 0.2218(3) 1.02578(12) 0.0355(7) Uani 1 1 d . . .
H6 H 0.4954 0.1715 1.0591 0.043 Uiso 1 1 calc R . .
C7 C 0.54253(16) 0.2447(3) 0.99257(11) 0.0293(6) Uani 1 1 d . . .
C10 C 0.63239(17) 0.1093(4) 1.05024(11) 0.0354(7) Uani 1 1 d . . .
H10 H 0.5955 0.0285 1.0563 0.042 Uiso 1 1 calc R . .
C11 C 0.70288(18) 0.0320(4) 1.04079(13) 0.0451(8) Uani 1 1 d . . .
H11A H 0.6968 -0.0377 1.0102 0.068 Uiso 1 1 calc R . .
H11B H 0.7190 -0.0275 1.0723 0.068 Uiso 1 1 calc R . .
H11C H 0.7386 0.1111 1.0337 0.068 Uiso 1 1 calc R . .
C12 C 0.6380(2) 0.2179(4) 1.09674(14) 0.0516(9) Uani 1 1 d . . .
H12A H 0.5912 0.2650 1.1015 0.077 Uiso 1 1 calc R . .
H12B H 0.6729 0.2993 1.0902 0.077 Uiso 1 1 calc R . .
H12C H 0.6536 0.1604 1.1288 0.077 Uiso 1 1 calc R . .
C13 C 0.64253(15) 0.4089(3) 0.79795(10) 0.0305(6) Uani 1 1 d . . .
C14 C 0.58683(18) 0.3327(4) 0.77071(12) 0.0400(7) Uani 1 1 d . . .
C15 C 0.52454(19) 0.4171(5) 0.75862(13) 0.0500(9) Uani 1 1 d . . .
H15 H 0.4854 0.3680 0.7398 0.060 Uiso 1 1 calc R . .
C16 C 0.51827(19) 0.5700(4) 0.77328(12) 0.0459(8) Uani 1 1 d . . .
C17 C 0.57516(18) 0.6423(4) 0.79978(12) 0.0407(8) Uani 1 1 d . . .
H17 H 0.5710 0.7482 0.8094 0.049 Uiso 1 1 calc R . .
C18 C 0.63893(16) 0.5638(4) 0.81296(11) 0.0340(7) Uani 1 1 d . . .
C19 C 0.5925(2) 0.1638(4) 0.75679(15) 0.0561(10) Uani 1 1 d . . .
H19A H 0.5482 0.1302 0.7375 0.084 Uiso 1 1 calc R . .
H19B H 0.6000 0.1028 0.7894 0.084 Uiso 1 1 calc R . .
H19C H 0.6330 0.1484 0.7344 0.084 Uiso 1 1 calc R . .
C20 C 0.4490(2) 0.6587(6) 0.76006(16) 0.0734(13) Uani 1 1 d . . .
H20A H 0.4146 0.5907 0.7407 0.110 Uiso 1 1 calc R . .
H20B H 0.4591 0.7485 0.7380 0.110 Uiso 1 1 calc R . .
H20C H 0.4290 0.6938 0.7930 0.110 Uiso 1 1 calc R . .
C21 C 0.70049(19) 0.6394(4) 0.84385(14) 0.0449(8) Uani 1 1 d . . .
H21A H 0.7401 0.5655 0.8487 0.067 Uiso 1 1 calc R . .
H21B H 0.6852 0.6719 0.8786 0.067 Uiso 1 1 calc R . .
H21C H 0.7164 0.7301 0.8244 0.067 Uiso 1 1 calc R . .
C22 C 0.72306(15) 0.2569(3) 0.86088(10) 0.0258(6) Uani 1 1 d . . .
C23 C 0.76089(17) 0.3014(4) 0.77872(11) 0.0361(7) Uani 1 1 d . . .
H23 H 0.7619 0.3386 0.7434 0.043 Uiso 1 1 calc R . .
C24 C 0.81161(16) 0.2162(4) 0.80463(11) 0.0340(7) Uani 1 1 d . . .
H24 H 0.8549 0.1805 0.7910 0.041 Uiso 1 1 calc R . .
C25 C 0.82733(15) 0.0982(3) 0.89628(10) 0.0273(6) Uani 1 1 d . . .
H25 H 0.7945 0.0861 0.9259 0.033 Uiso 1 1 calc R . .
C26 C 0.89401(15) 0.1832(4) 0.91967(11) 0.0319(6) Uani 1 1 d . . .
H26A H 0.8784 0.2817 0.9354 0.038 Uiso 1 1 calc R . .
H26B H 0.9160 0.1195 0.9489 0.038 Uiso 1 1 calc R . .
C27 C 0.95180(16) 0.2203(4) 0.88103(13) 0.0363(7) Uani 1 1 d . . .
H27A H 0.9546 0.1341 0.8554 0.044 Uiso 1 1 calc R . .
H27B H 0.9378 0.3148 0.8608 0.044 Uiso 1 1 calc R . .
C28 C 1.02607(17) 0.2455(4) 0.90891(14) 0.0400(7) Uani 1 1 d . . .
H28A H 1.0219 0.3223 0.9377 0.048 Uiso 1 1 calc R . .
H28B H 1.0582 0.2897 0.8831 0.048 Uiso 1 1 calc R . .
C29 C 1.06001(16) 0.0980(4) 0.93244(12) 0.0397(7) Uani 1 1 d . . .
H29A H 1.1031 0.1273 0.9549 0.048 Uiso 1 1 calc R . .
H29B H 1.0258 0.0496 0.9559 0.048 Uiso 1 1 calc R . .
C30 C 1.08162(18) -0.0225(4) 0.89231(13) 0.0438(8) Uani 1 1 d . . .
H30A H 1.0439 -0.0280 0.8632 0.053 Uiso 1 1 calc R . .
H30B H 1.1262 0.0122 0.8768 0.053 Uiso 1 1 calc R . .
C31 C 1.09354(18) -0.1843(4) 0.91526(15) 0.0496(9) Uani 1 1 d . . .
H31A H 1.1283 -0.1772 0.9463 0.060 Uiso 1 1 calc R . .
H31B H 1.1153 -0.2497 0.8883 0.060 Uiso 1 1 calc R . .
C32 C 1.02632(19) -0.2641(4) 0.93247(14) 0.0445(8) Uani 1 1 d . . .
H32A H 1.0027 -0.1954 0.9575 0.053 Uiso 1 1 calc R . .
H32B H 1.0404 -0.3601 0.9518 0.053 Uiso 1 1 calc R . .
C33 C 0.97250(18) -0.3056(4) 0.88715(14) 0.0429(8) Uani 1 1 d . . .
H33A H 0.9724 -0.2220 0.8603 0.051 Uiso 1 1 calc R . .
H33B H 0.9887 -0.4016 0.8701 0.051 Uiso 1 1 calc R . .
C34 C 0.89616(18) -0.3295(4) 0.90327(14) 0.0445(8) Uani 1 1 d . . .
H34A H 0.8968 -0.4045 0.9330 0.053 Uiso 1 1 calc R . .
H34B H 0.8676 -0.3755 0.8730 0.053 Uiso 1 1 calc R . .
C35 C 0.85945(17) -0.1812(4) 0.92027(12) 0.0384(7) Uani 1 1 d . . .
H35A H 0.8144 -0.2096 0.9365 0.046 Uiso 1 1 calc R . .
H35B H 0.8907 -0.1298 0.9480 0.046 Uiso 1 1 calc R . .
C36 C 0.84200(16) -0.0652(3) 0.87597(11) 0.0321(6) Uani 1 1 d . . .
H36A H 0.7994 -0.1018 0.8544 0.039 Uiso 1 1 calc R . .
H36B H 0.8826 -0.0608 0.8526 0.039 Uiso 1 1 calc R . .
C8 C 0.30602(19) 0.3570(5) 0.89665(16) 0.0574(10) Uani 1 1 d . . .
C9 C 0.2262(2) 0.3950(6) 0.8883(2) 0.0679(12) Uani 1 1 d . A .
F1A F 0.1946(9) 0.351(2) 0.9363(8) 0.065(4) Uani 0.43(4) 1 d P A 1
F2A F 0.1888(13) 0.327(3) 0.8517(12) 0.060(4) Uani 0.43(4) 1 d P A 1
F3A F 0.2083(12) 0.545(3) 0.8757(12) 0.112(7) Uani 0.43(4) 1 d P A 1
O2A O 0.3330(5) 0.355(5) 0.8537(5) 0.074(7) Uani 0.43(4) 1 d P A 1
F1B F 0.1890(7) 0.415(3) 0.9263(8) 0.104(6) Uani 0.57(4) 1 d P A 2
F2B F 0.2001(11) 0.285(2) 0.8531(10) 0.060(3) Uani 0.57(4) 1 d P A 2
F3B F 0.2234(12) 0.527(3) 0.8655(12) 0.172(9) Uani 0.57(4) 1 d P A 2
O2B O 0.3368(5) 0.266(2) 0.8649(5) 0.059(3) Uani 0.57(4) 1 d P A 2


_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 C1 1.811(3) . ?
Ru1 C22 1.976(3) . ?
Ru1 O1 2.2781(18) . ?
Ru1 Cl2 2.3205(8) . ?
Ru1 Cl1 2.3383(8) . ?
O1 C7 1.370(4) . ?
O1 C10 1.471(3) . ?
N1 C8 1.303(4) . ?
N1 C4 1.419(4) . ?
N1 H1A 0.8800 . ?
N2 C22 1.366(3) . ?
N2 C23 1.385(3) . ?
N2 C13 1.433(4) . ?
N3 C22 1.369(3) . ?
N3 C24 1.390(3) . ?
N3 C25 1.464(3) . ?
C1 C2 1.450(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.395(4) . ?
C2 C7 1.401(4) . ?
C3 C4 1.386(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(4) . ?
C5 C6 1.390(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.386(4) . ?
C6 H6 0.9500 . ?
C10 C12 1.501(4) . ?
C10 C11 1.510(4) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.382(4) . ?
C13 C18 1.393(4) . ?
C14 C15 1.394(5) . ?
C14 C19 1.505(5) . ?
C15 C16 1.378(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.374(5) . ?
C16 C20 1.525(5) . ?
C17 C18 1.396(4) . ?
C17 H17 0.9500 . ?
C18 C21 1.502(5) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C23 C24 1.341(4) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C36 1.531(4) . ?
C25 C26 1.536(4) . ?
C25 H25 1.0000 . ?
C26 C27 1.532(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.536(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.528(4) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.523(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.524(5) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.520(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.522(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.523(5) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.527(5) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.522(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C8 O2B 1.281(10) . ?
C8 O2A 1.223(12) . ?
C8 C9 1.533(5) . ?
C9 F1B 1.229(16) . ?
C9 F1A 1.429(18) . ?
C9 F3A 1.37(3) . ?
C9 F2A 1.27(3) . ?
C9 F3B 1.27(2) . ?
C9 F2B 1.37(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ru1 C22 101.21(12) . . ?
C1 Ru1 O1 78.87(10) . . ?
C22 Ru1 O1 178.04(10) . . ?
C1 Ru1 Cl2 99.29(10) . . ?
C22 Ru1 Cl2 88.51(8) . . ?
O1 Ru1 Cl2 89.55(6) . . ?
C1 Ru1 Cl1 105.58(10) . . ?
C22 Ru1 Cl1 91.34(8) . . ?
O1 Ru1 Cl1 90.52(6) . . ?
Cl2 Ru1 Cl1 154.66(3) . . ?
C7 O1 C10 119.6(2) . . ?
C7 O1 Ru1 109.34(16) . . ?
C10 O1 Ru1 130.11(17) . . ?
C8 N1 C4 123.6(3) . . ?
C8 N1 H1A 118.2 . . ?
C4 N1 H1A 118.2 . . ?
C22 N2 C23 110.7(2) . . ?
C22 N2 C13 126.3(2) . . ?
C23 N2 C13 123.0(2) . . ?
C22 N3 C24 110.9(2) . . ?
C22 N3 C25 124.3(2) . . ?
C24 N3 C25 124.7(2) . . ?
C2 C1 Ru1 119.2(2) . . ?
C2 C1 H1 120.4 . . ?
Ru1 C1 H1 120.4 . . ?
C3 C2 C7 120.1(2) . . ?
C3 C2 C1 121.7(3) . . ?
C7 C2 C1 118.1(3) . . ?
C2 C3 C4 119.4(3) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C3 C4 C5 119.8(3) . . ?
C3 C4 N1 120.8(3) . . ?
C5 C4 N1 119.4(2) . . ?
C4 C5 C6 121.7(3) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C7 C6 C5 118.5(3) . . ?
C7 C6 H6 120.8 . . ?
C5 C6 H6 120.8 . . ?
O1 C7 C6 126.3(3) . . ?
O1 C7 C2 113.1(2) . . ?
C6 C7 C2 120.6(3) . . ?
O1 C10 C12 109.8(3) . . ?
O1 C10 C11 106.4(2) . . ?
C12 C10 C11 112.2(3) . . ?
O1 C10 H10 109.5 . . ?
C12 C10 H10 109.5 . . ?
C11 C10 H10 109.5 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C13 C18 123.1(3) . . ?
C14 C13 N2 119.2(3) . . ?
C18 C13 N2 117.8(3) . . ?
C13 C14 C15 117.2(3) . . ?
C13 C14 C19 121.1(3) . . ?
C15 C14 C19 121.7(3) . . ?
C16 C15 C14 121.7(3) . . ?
C16 C15 H15 119.1 . . ?
C14 C15 H15 119.1 . . ?
C17 C16 C15 119.4(3) . . ?
C17 C16 C20 120.2(4) . . ?
C15 C16 C20 120.5(4) . . ?
C16 C17 C18 121.5(3) . . ?
C16 C17 H17 119.2 . . ?
C18 C17 H17 119.2 . . ?
C13 C18 C17 117.1(3) . . ?
C13 C18 C21 120.7(3) . . ?
C17 C18 C21 122.1(3) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N2 C22 N3 104.2(2) . . ?
N2 C22 Ru1 134.3(2) . . ?
N3 C22 Ru1 121.44(19) . . ?
C24 C23 N2 107.6(2) . . ?
C24 C23 H23 126.2 . . ?
N2 C23 H23 126.2 . . ?
C23 C24 N3 106.7(2) . . ?
C23 C24 H24 126.7 . . ?
N3 C24 H24 126.7 . . ?
N3 C25 C36 110.8(2) . . ?
N3 C25 C26 111.7(2) . . ?
C36 C25 C26 114.3(2) . . ?
N3 C25 H25 106.5 . . ?
C36 C25 H25 106.5 . . ?
C26 C25 H25 106.5 . . ?
C27 C26 C25 116.3(2) . . ?
C27 C26 H26A 108.2 . . ?
C25 C26 H26A 108.2 . . ?
C27 C26 H26B 108.2 . . ?
C25 C26 H26B 108.2 . . ?
H26A C26 H26B 107.4 . . ?
C28 C27 C26 113.1(3) . . ?
C28 C27 H27A 109.0 . . ?
C26 C27 H27A 109.0 . . ?
C28 C27 H27B 109.0 . . ?
C26 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
C27 C28 C29 113.9(3) . . ?
C27 C28 H28A 108.8 . . ?
C29 C28 H28A 108.8 . . ?
C27 C28 H28B 108.8 . . ?
C29 C28 H28B 108.8 . . ?
H28A C28 H28B 107.7 . . ?
C30 C29 C28 115.6(3) . . ?
C30 C29 H29A 108.4 . . ?
C28 C29 H29A 108.4 . . ?
C30 C29 H29B 108.4 . . ?
C28 C29 H29B 108.4 . . ?
H29A C29 H29B 107.4 . . ?
C31 C30 C29 114.4(3) . . ?
C31 C30 H30A 108.7 . . ?
C29 C30 H30A 108.7 . . ?
C31 C30 H30B 108.7 . . ?
C29 C30 H30B 108.7 . . ?
H30A C30 H30B 107.6 . . ?
C30 C31 C32 114.8(3) . . ?
C30 C31 H31A 108.6 . . ?
C32 C31 H31A 108.6 . . ?
C30 C31 H31B 108.6 . . ?
C32 C31 H31B 108.6 . . ?
H31A C31 H31B 107.6 . . ?
C31 C32 C33 114.5(3) . . ?
C31 C32 H32A 108.6 . . ?
C33 C32 H32A 108.6 . . ?
C31 C32 H32B 108.6 . . ?
C33 C32 H32B 108.6 . . ?
H32A C32 H32B 107.6 . . ?
C34 C33 C32 114.9(3) . . ?
C34 C33 H33A 108.5 . . ?
C32 C33 H33A 108.5 . . ?
C34 C33 H33B 108.5 . . ?
C32 C33 H33B 108.5 . . ?
H33A C33 H33B 107.5 . . ?
C33 C34 C35 114.0(3) . . ?
C33 C34 H34A 108.8 . . ?
C35 C34 H34A 108.8 . . ?
C33 C34 H34B 108.8 . . ?
C35 C34 H34B 108.8 . . ?
H34A C34 H34B 107.7 . . ?
C36 C35 C34 115.2(3) . . ?
C36 C35 H35A 108.5 . . ?
C34 C35 H35A 108.5 . . ?
C36 C35 H35B 108.5 . . ?
C34 C35 H35B 108.5 . . ?
H35A C35 H35B 107.5 . . ?
C35 C36 C25 113.3(2) . . ?
C35 C36 H36A 108.9 . . ?
C25 C36 H36A 108.9 . . ?
C35 C36 H36B 108.9 . . ?
C25 C36 H36B 108.9 . . ?
H36A C36 H36B 107.7 . . ?
O2B C8 O2A 38.0(11) . . ?
O2B C8 N1 121.1(7) . . ?
O2A C8 N1 130.1(6) . . ?
O2B C8 C9 121.0(5) . . ?
O2A C8 C9 109.4(8) . . ?
N1 C8 C9 115.4(3) . . ?
F1B C9 F1A 25.1(12) . . ?
F1B C9 F3A 84.7(17) . . ?
F1A C9 F3A 109.8(15) . . ?
F1B C9 F2A 108.6(15) . . ?
F1A C9 F2A 104.8(17) . . ?
F3A C9 F2A 98.8(18) . . ?
F1B C9 F3B 102.6(11) . . ?
F1A C9 F3B 127.6(13) . . ?
F3A C9 F3B 18(2) . . ?
F2A C9 F3B 94.6(16) . . ?
F1B C9 F2B 113.9(16) . . ?
F1A C9 F2B 102.4(13) . . ?
F3A C9 F2B 115.7(15) . . ?
F2A C9 F2B 17.7(13) . . ?
F3B C9 F2B 109.0(14) . . ?
F1B C9 C8 120.9(9) . . ?
F1A C9 C8 106.0(8) . . ?
F3A C9 C8 117.2(11) . . ?
F2A C9 C8 119.4(10) . . ?
F3B C9 C8 105.4(11) . . ?
F2B C9 C8 104.4(9) . . ?

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
C1 Ru1 O1 C7 10.02(19) . . . . ?
Cl2 Ru1 O1 C7 -89.53(17) . . . . ?
Cl1 Ru1 O1 C7 115.81(17) . . . . ?
C1 Ru1 O1 C10 178.5(3) . . . . ?
Cl2 Ru1 O1 C10 78.9(2) . . . . ?
Cl1 Ru1 O1 C10 -75.8(2) . . . . ?
C22 Ru1 C1 C2 168.3(2) . . . . ?
O1 Ru1 C1 C2 -9.7(2) . . . . ?
Cl2 Ru1 C1 C2 78.0(2) . . . . ?
Cl1 Ru1 C1 C2 -97.1(2) . . . . ?
Ru1 C1 C2 C3 -167.4(2) . . . . ?
Ru1 C1 C2 C7 8.8(4) . . . . ?
C7 C2 C3 C4 -0.1(4) . . . . ?
C1 C2 C3 C4 176.0(3) . . . . ?
C2 C3 C4 C5 1.6(4) . . . . ?
C2 C3 C4 N1 -175.4(3) . . . . ?
C8 N1 C4 C3 44.1(5) . . . . ?
C8 N1 C4 C5 -132.8(3) . . . . ?
C3 C4 C5 C6 -1.9(4) . . . . ?
N1 C4 C5 C6 175.1(3) . . . . ?
C4 C5 C6 C7 0.7(5) . . . . ?
C10 O1 C7 C6 0.6(4) . . . . ?
Ru1 O1 C7 C6 170.5(2) . . . . ?
C10 O1 C7 C2 -177.8(2) . . . . ?
Ru1 O1 C7 C2 -8.0(3) . . . . ?
C5 C6 C7 O1 -177.5(3) . . . . ?
C5 C6 C7 C2 0.8(4) . . . . ?
C3 C2 C7 O1 177.4(3) . . . . ?
C1 C2 C7 O1 1.2(4) . . . . ?
C3 C2 C7 C6 -1.1(4) . . . . ?
C1 C2 C7 C6 -177.4(3) . . . . ?
C7 O1 C10 C12 -75.3(4) . . . . ?
Ru1 O1 C10 C12 117.2(3) . . . . ?
C7 O1 C10 C11 163.1(3) . . . . ?
Ru1 O1 C10 C11 -4.4(4) . . . . ?
C22 N2 C13 C14 -95.7(3) . . . . ?
C23 N2 C13 C14 83.2(4) . . . . ?
C22 N2 C13 C18 82.8(4) . . . . ?
C23 N2 C13 C18 -98.3(3) . . . . ?
C18 C13 C14 C15 -0.6(4) . . . . ?
N2 C13 C14 C15 177.8(3) . . . . ?
C18 C13 C14 C19 -178.2(3) . . . . ?
N2 C13 C14 C19 0.3(4) . . . . ?
C13 C14 C15 C16 -0.3(5) . . . . ?
C19 C14 C15 C16 177.3(3) . . . . ?
C14 C15 C16 C17 1.0(5) . . . . ?
C14 C15 C16 C20 -179.2(3) . . . . ?
C15 C16 C17 C18 -1.0(5) . . . . ?
C20 C16 C17 C18 179.3(3) . . . . ?
C14 C13 C18 C17 0.6(4) . . . . ?
N2 C13 C18 C17 -177.8(2) . . . . ?
C14 C13 C18 C21 178.3(3) . . . . ?
N2 C13 C18 C21 -0.1(4) . . . . ?
C16 C17 C18 C13 0.2(4) . . . . ?
C16 C17 C18 C21 -177.5(3) . . . . ?
C23 N2 C22 N3 -0.2(3) . . . . ?
C13 N2 C22 N3 178.9(3) . . . . ?
C23 N2 C22 Ru1 -176.5(2) . . . . ?
C13 N2 C22 Ru1 2.5(5) . . . . ?
C24 N3 C22 N2 -0.4(3) . . . . ?
C25 N3 C22 N2 -177.9(2) . . . . ?
C24 N3 C22 Ru1 176.5(2) . . . . ?
C25 N3 C22 Ru1 -0.9(4) . . . . ?
C1 Ru1 C22 N2 -1.6(3) . . . . ?
Cl2 Ru1 C22 N2 97.6(3) . . . . ?
Cl1 Ru1 C22 N2 -107.8(3) . . . . ?
C1 Ru1 C22 N3 -177.5(2) . . . . ?
Cl2 Ru1 C22 N3 -78.3(2) . . . . ?
Cl1 Ru1 C22 N3 76.4(2) . . . . ?
C22 N2 C23 C24 0.7(4) . . . . ?
C13 N2 C23 C24 -178.4(3) . . . . ?
N2 C23 C24 N3 -0.9(4) . . . . ?
C22 N3 C24 C23 0.9(4) . . . . ?
C25 N3 C24 C23 178.3(3) . . . . ?
C22 N3 C25 C36 121.4(3) . . . . ?
C24 N3 C25 C36 -55.8(4) . . . . ?
C22 N3 C25 C26 -110.0(3) . . . . ?
C24 N3 C25 C26 72.9(3) . . . . ?
N3 C25 C26 C27 -62.2(3) . . . . ?
C36 C25 C26 C27 64.6(3) . . . . ?
C25 C26 C27 C28 -157.7(3) . . . . ?
C26 C27 C28 C29 70.1(4) . . . . ?
C27 C28 C29 C30 68.1(4) . . . . ?
C28 C29 C30 C31 -162.2(3) . . . . ?
C29 C30 C31 C32 68.0(4) . . . . ?
C30 C31 C32 C33 67.3(4) . . . . ?
C31 C32 C33 C34 -158.7(3) . . . . ?
C32 C33 C34 C35 69.5(4) . . . . ?
C33 C34 C35 C36 69.1(4) . . . . ?
C34 C35 C36 C25 -162.1(3) . . . . ?
N3 C25 C36 C35 -161.1(2) . . . . ?
C26 C25 C36 C35 71.6(3) . . . . ?
C4 N1 C8 O2B 11.6(10) . . . . ?
C4 N1 C8 O2A -34(3) . . . . ?
C4 N1 C8 C9 174.0(3) . . . . ?
O2B C8 C9 F1B 145.3(11) . . . . ?
O2A C8 C9 F1B -174.4(11) . . . . ?
N1 C8 C9 F1B -17.1(17) . . . . ?
O2B C8 C9 F1A 123.2(11) . . . . ?
O2A C8 C9 F1A 163.4(17) . . . . ?
N1 C8 C9 F1A -39.2(9) . . . . ?
O2B C8 C9 F3A -113.9(16) . . . . ?
O2A C8 C9 F3A -74(2) . . . . ?
N1 C8 C9 F3A 83.7(14) . . . . ?
O2B C8 C9 F2A 5.3(18) . . . . ?
O2A C8 C9 F2A 46(2) . . . . ?
N1 C8 C9 F2A -157.1(18) . . . . ?
O2B C8 C9 F3B -99.3(12) . . . . ?
O2A C8 C9 F3B -59.0(14) . . . . ?
N1 C8 C9 F3B 98.3(15) . . . . ?
O2B C8 C9 F2B 15.5(15) . . . . ?
O2A C8 C9 F2B 56(2) . . . . ?
N1 C8 C9 F2B -146.9(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.608
_refine_diff_density_min         -0.407
_refine_diff_density_rms         0.075
_database_code_depnum_ccdc_archive 'CCDC 890262'

data_global
_journal_name_full               'To Be Published'
_journal_coden_cambridge         0353

_publ_contact_author             
;
Loic TOUPET
IPR - UMR6251
Universite de Rennes
Campus de Beaulieu
35042 RENNES cedex , FRANCE
;
_publ_contact_author_email       
loic.toupet@univ-rennes1.fr,marc.mauduit@ensc-rennes.fr
_publ_contact_author_fax         '(33) 2 23 23 67 17'
_publ_contact_author_phone       '(33) 2 23 23 64 97'

_publ_requested_coeditor_name    ?



_publ_contact_letter             
;
;


data_mr135

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C27 H34 Cl2 N2 O Ru'
_chemical_formula_weight         574.53

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   P21/a

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

_cell_length_a                   13.6662(3)
_cell_length_b                   12.2444(2)
_cell_length_c                   17.0887(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.840(2)
_cell_angle_gamma                90.00
_cell_volume                     2706.32(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    140(2)
_cell_measurement_reflns_used    4584
_cell_measurement_theta_min      2.85
_cell_measurement_theta_max      27.5

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.09
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.410
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1184
_exptl_absorpt_coefficient_mu    0.798
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      140(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 Saphire 3 Xcalibur'
_diffrn_measurement_method       'omega scan'
_diffrn_detector_area_resol_mean 19.64
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            20794
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_sigmaI/netI    0.0536
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.85
_diffrn_reflns_theta_max         27.00
_reflns_number_total             5897
_reflns_number_gt                4356
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
'CrysAlis CCD, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_cell_refinement       
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'
_computing_data_reduction        
'CrysAlis RED, Oxford Diffraction Ltd.,Version 1.171.35.11'

_computing_structure_solution    'SIR-97_(Altomare & al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'MERCURY 2.4.5(CCDC, 2011)'
_computing_publication_material  'WINGX (Farrugia, 1999)'

_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0389P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5897
_refine_ls_number_parameters     298
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0304
_refine_ls_wR_factor_ref         0.0734
_refine_ls_wR_factor_gt          0.0702
_refine_ls_goodness_of_fit_ref   0.932
_refine_ls_restrained_S_all      0.932
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.162078(15) 0.480623(17) 0.710407(13) 0.01699(7) Uani 1 1 d . . .
Cl1 Cl 0.02829(5) 0.40895(5) 0.60122(4) 0.02348(15) Uani 1 1 d . . .
Cl2 Cl 0.30531(5) 0.59524(5) 0.76048(4) 0.02741(16) Uani 1 1 d . . .
O1 O 0.05369(13) 0.61633(14) 0.71846(12) 0.0254(4) Uani 1 1 d . . .
N1 N 0.29610(15) 0.27112(17) 0.74763(13) 0.0193(5) Uani 1 1 d . . .
N2 N 0.29494(15) 0.35823(17) 0.63830(14) 0.0205(5) Uani 1 1 d . . .
C1 C 0.12666(18) 0.4359(2) 0.79937(16) 0.0199(6) Uani 1 1 d . . .
H1 H 0.1595 0.3744 0.8309 0.024 Uiso 1 1 calc R . .
C2 C 0.04763(18) 0.4956(2) 0.82135(16) 0.0181(6) Uani 1 1 d . . .
C3 C 0.00652(19) 0.4607(2) 0.88198(17) 0.0234(6) Uani 1 1 d . . .
H3 H 0.0334 0.3970 0.9132 0.028 Uiso 1 1 calc R . .
C4 C -0.0730(2) 0.5180(3) 0.89711(18) 0.0307(7) Uani 1 1 d . . .
H4 H -0.1014 0.4934 0.9379 0.037 Uiso 1 1 calc R . .
C5 C -0.1104(2) 0.6115(3) 0.85204(19) 0.0353(8) Uani 1 1 d . . .
H5 H -0.1648 0.6508 0.8625 0.042 Uiso 1 1 calc R . .
C6 C -0.0709(2) 0.6492(2) 0.79219(19) 0.0328(7) Uani 1 1 d . . .
H6 H -0.0971 0.7139 0.7621 0.039 Uiso 1 1 calc R . .
C7 C 0.00762(19) 0.5908(2) 0.77713(17) 0.0223(6) Uani 1 1 d . . .
C8 C 0.0343(2) 0.7235(2) 0.67796(19) 0.0289(7) Uani 1 1 d . . .
H8 H -0.0417 0.7386 0.6589 0.035 Uiso 1 1 calc R . .
C9 C 0.0895(2) 0.8107(2) 0.7387(2) 0.0424(8) Uani 1 1 d . . .
H9A H 0.0618 0.8126 0.7849 0.064 Uiso 1 1 calc R . .
H9B H 0.0790 0.8819 0.7110 0.064 Uiso 1 1 calc R . .
H9C H 0.1636 0.7942 0.7597 0.064 Uiso 1 1 calc R . .
C10 C 0.0710(2) 0.7161(2) 0.60403(19) 0.0351(7) Uani 1 1 d . . .
H10A H 0.0318 0.6593 0.5665 0.053 Uiso 1 1 calc R . .
H10B H 0.1447 0.6977 0.6223 0.053 Uiso 1 1 calc R . .
H10C H 0.0603 0.7864 0.5752 0.053 Uiso 1 1 calc R . .
C11 C 0.25507(17) 0.3613(2) 0.70181(16) 0.0174(5) Uani 1 1 d . . .
C12 C 0.3591(2) 0.2146(2) 0.71246(18) 0.0262(6) Uani 1 1 d . . .
H12 H 0.3960 0.1493 0.7331 0.031 Uiso 1 1 calc R . .
C13 C 0.35876(19) 0.2681(2) 0.64469(17) 0.0254(6) Uani 1 1 d . . .
H13 H 0.3951 0.2485 0.6078 0.031 Uiso 1 1 calc R . .
C14 C 0.27616(19) 0.2333(2) 0.82093(16) 0.0206(6) Uani 1 1 d . . .
C15 C 0.33921(19) 0.2695(2) 0.89792(18) 0.0271(6) Uani 1 1 d . . .
C16 C 0.3186(2) 0.2306(3) 0.96746(18) 0.0333(7) Uani 1 1 d . . .
H16 H 0.3600 0.2550 1.0206 0.040 Uiso 1 1 calc R . .
C17 C 0.2392(2) 0.1570(3) 0.96128(19) 0.0336(7) Uani 1 1 d . . .
C18 C 0.1796(2) 0.1221(2) 0.88303(19) 0.0292(7) Uani 1 1 d . . .
H18 H 0.1258 0.0708 0.8784 0.035 Uiso 1 1 calc R . .
C19 C 0.19554(19) 0.1591(2) 0.81170(17) 0.0231(6) Uani 1 1 d . . .
C20 C 0.4250(2) 0.3495(3) 0.90526(19) 0.0377(8) Uani 1 1 d . . .
H20A H 0.4607 0.3655 0.9637 0.057 Uiso 1 1 calc R . .
H20B H 0.3962 0.4171 0.8763 0.057 Uiso 1 1 calc R . .
H20C H 0.4741 0.3181 0.8805 0.057 Uiso 1 1 calc R . .
C21 C 0.2191(2) 0.1150(3) 1.0379(2) 0.0530(10) Uani 1 1 d . . .
H21A H 0.1605 0.0644 1.0218 0.080 Uiso 1 1 calc R . .
H21B H 0.2032 0.1765 1.0684 0.080 Uiso 1 1 calc R . .
H21C H 0.2807 0.0769 1.0731 0.080 Uiso 1 1 calc R . .
C22 C 0.1278(2) 0.1238(2) 0.72734(18) 0.0313(7) Uani 1 1 d . . .
H22A H 0.1513 0.1589 0.6851 0.047 Uiso 1 1 calc R . .
H22B H 0.0562 0.1451 0.7195 0.047 Uiso 1 1 calc R . .
H22C H 0.1318 0.0443 0.7225 0.047 Uiso 1 1 calc R . .
C23 C 0.27311(19) 0.4389(2) 0.57134(16) 0.0234(6) Uani 1 1 d . . .
H23 H 0.2236 0.4938 0.5804 0.028 Uiso 1 1 calc R . .
C24 C 0.2248(2) 0.3900(3) 0.48507(17) 0.0318(7) Uani 1 1 d . . .
H24A H 0.2556 0.3179 0.4810 0.038 Uiso 1 1 calc R . .
H24B H 0.1492 0.3813 0.4718 0.038 Uiso 1 1 calc R . .
C25 C 0.2493(2) 0.4718(3) 0.42744(19) 0.0385(7) Uani 1 1 d . . .
H25A H 0.2721 0.4335 0.3853 0.046 Uiso 1 1 calc R . .
H25B H 0.1872 0.5157 0.3988 0.046 Uiso 1 1 calc R . .
C26 C 0.3348(3) 0.5447(3) 0.4799(2) 0.0541(10) Uani 1 1 d . . .
H26A H 0.3937 0.5450 0.4581 0.065 Uiso 1 1 calc R . .
H26B H 0.3093 0.6206 0.4792 0.065 Uiso 1 1 calc R . .
C27 C 0.3681(2) 0.4999(3) 0.56667(19) 0.0354(8) Uani 1 1 d . . .
H27A H 0.3873 0.5596 0.6079 0.042 Uiso 1 1 calc R . .
H27B H 0.4278 0.4499 0.5762 0.042 Uiso 1 1 calc R . .


_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate
(isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C1 1.822(3) . ?
Ru1 C11 1.972(2) . ?
Ru1 O1 2.2596(17) . ?
Ru1 Cl1 2.3220(7) . ?
Ru1 Cl2 2.3349(6) . ?
O1 C7 1.381(3) . ?
O1 C8 1.467(3) . ?
N1 C11 1.365(3) . ?
N1 C12 1.384(3) . ?
N1 C14 1.442(3) . ?
N2 C11 1.363(3) . ?
N2 C13 1.389(3) . ?
N2 C23 1.467(3) . ?
C1 C2 1.450(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.395(4) . ?
C2 C7 1.401(4) . ?
C3 C4 1.386(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.382(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.381(4) . ?
C5 H5 0.9500 . ?
C6 C7 1.381(4) . ?
C6 H6 0.9500 . ?
C8 C10 1.505(4) . ?
C8 C9 1.510(4) . ?
C8 H8 1.0000 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C12 C13 1.329(4) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.392(4) . ?
C14 C19 1.397(4) . ?
C15 C16 1.391(4) . ?
C15 C20 1.502(4) . ?
C16 C17 1.388(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.390(4) . ?
C17 C21 1.512(4) . ?
C18 C19 1.383(4) . ?
C18 H18 0.9500 . ?
C19 C22 1.503(4) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 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 . ?
C23 C27 1.522(4) . ?
C23 C24 1.529(4) . ?
C23 H23 1.0000 . ?
C24 C25 1.516(4) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.513(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.508(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?

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
C1 Ru1 C11 101.00(11) . . ?
C1 Ru1 O1 79.28(9) . . ?
C11 Ru1 O1 179.11(9) . . ?
C1 Ru1 Cl1 101.80(8) . . ?
C11 Ru1 Cl1 91.11(7) . . ?
O1 Ru1 Cl1 88.01(5) . . ?
C1 Ru1 Cl2 106.97(8) . . ?
C11 Ru1 Cl2 89.33(7) . . ?
O1 Ru1 Cl2 91.39(5) . . ?
Cl1 Ru1 Cl2 150.59(3) . . ?
C7 O1 C8 119.3(2) . . ?
C7 O1 Ru1 109.84(15) . . ?
C8 O1 Ru1 130.63(16) . . ?
C11 N1 C12 110.7(2) . . ?
C11 N1 C14 126.9(2) . . ?
C12 N1 C14 122.4(2) . . ?
C11 N2 C13 111.2(2) . . ?
C11 N2 C23 124.7(2) . . ?
C13 N2 C23 124.1(2) . . ?
C2 C1 Ru1 119.05(19) . . ?
C2 C1 H1 120.5 . . ?
Ru1 C1 H1 120.5 . . ?
C3 C2 C7 118.3(2) . . ?
C3 C2 C1 123.4(2) . . ?
C7 C2 C1 118.2(2) . . ?
C4 C3 C2 120.8(3) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C5 C4 C3 119.1(3) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C6 121.8(3) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C7 C6 C5 118.6(3) . . ?
C7 C6 H6 120.7 . . ?
C5 C6 H6 120.7 . . ?
O1 C7 C6 125.6(3) . . ?
O1 C7 C2 113.0(2) . . ?
C6 C7 C2 121.4(3) . . ?
O1 C8 C10 106.5(2) . . ?
O1 C8 C9 109.5(2) . . ?
C10 C8 C9 113.1(3) . . ?
O1 C8 H8 109.2 . . ?
C10 C8 H8 109.2 . . ?
C9 C8 H8 109.2 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N2 C11 N1 103.8(2) . . ?
N2 C11 Ru1 120.85(18) . . ?
N1 C11 Ru1 135.36(19) . . ?
C13 C12 N1 107.7(2) . . ?
C13 C12 H12 126.1 . . ?
N1 C12 H12 126.1 . . ?
C12 C13 N2 106.6(2) . . ?
C12 C13 H13 126.7 . . ?
N2 C13 H13 126.7 . . ?
C15 C14 C19 122.6(3) . . ?
C15 C14 N1 119.1(2) . . ?
C19 C14 N1 118.3(2) . . ?
C14 C15 C16 117.7(3) . . ?
C14 C15 C20 121.0(3) . . ?
C16 C15 C20 121.4(3) . . ?
C17 C16 C15 121.8(3) . . ?
C17 C16 H16 119.1 . . ?
C15 C16 H16 119.1 . . ?
C16 C17 C18 118.3(3) . . ?
C16 C17 C21 120.7(3) . . ?
C18 C17 C21 120.9(3) . . ?
C19 C18 C17 122.4(3) . . ?
C19 C18 H18 118.8 . . ?
C17 C18 H18 118.8 . . ?
C18 C19 C14 117.2(3) . . ?
C18 C19 C22 121.8(2) . . ?
C14 C19 C22 121.0(2) . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N2 C23 C27 114.1(2) . . ?
N2 C23 C24 113.8(2) . . ?
C27 C23 C24 104.6(2) . . ?
N2 C23 H23 108.0 . . ?
C27 C23 H23 108.0 . . ?
C24 C23 H23 108.0 . . ?
C25 C24 C23 104.5(2) . . ?
C25 C24 H24A 110.9 . . ?
C23 C24 H24A 110.9 . . ?
C25 C24 H24B 110.9 . . ?
C23 C24 H24B 110.9 . . ?
H24A C24 H24B 108.9 . . ?
C26 C25 C24 107.2(3) . . ?
C26 C25 H25A 110.3 . . ?
C24 C25 H25A 110.3 . . ?
C26 C25 H25B 110.3 . . ?
C24 C25 H25B 110.3 . . ?
H25A C25 H25B 108.5 . . ?
C27 C26 C25 107.3(3) . . ?
C27 C26 H26A 110.2 . . ?
C25 C26 H26A 110.2 . . ?
C27 C26 H26B 110.2 . . ?
C25 C26 H26B 110.2 . . ?
H26A C26 H26B 108.5 . . ?
C26 C27 C23 103.8(2) . . ?
C26 C27 H27A 111.0 . . ?
C23 C27 H27A 111.0 . . ?
C26 C27 H27B 111.0 . . ?
C23 C27 H27B 111.0 . . ?
H27A C27 H27B 109.0 . . ?

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
C1 Ru1 O1 C7 -7.26(16) . . . . ?
C11 Ru1 O1 C7 102(6) . . . . ?
Cl1 Ru1 O1 C7 95.15(15) . . . . ?
Cl2 Ru1 O1 C7 -114.27(15) . . . . ?
C1 Ru1 O1 C8 167.1(2) . . . . ?
C11 Ru1 O1 C8 -84(6) . . . . ?
Cl1 Ru1 O1 C8 -90.5(2) . . . . ?
Cl2 Ru1 O1 C8 60.1(2) . . . . ?
C11 Ru1 C1 C2 -172.71(19) . . . . ?
O1 Ru1 C1 C2 6.43(18) . . . . ?
Cl1 Ru1 C1 C2 -79.23(19) . . . . ?
Cl2 Ru1 C1 C2 94.60(19) . . . . ?
Ru1 C1 C2 C3 172.2(2) . . . . ?
Ru1 C1 C2 C7 -5.1(3) . . . . ?
C7 C2 C3 C4 1.0(4) . . . . ?
C1 C2 C3 C4 -176.4(2) . . . . ?
C2 C3 C4 C5 -0.9(4) . . . . ?
C3 C4 C5 C6 0.2(4) . . . . ?
C4 C5 C6 C7 0.5(5) . . . . ?
C8 O1 C7 C6 12.2(4) . . . . ?
Ru1 O1 C7 C6 -172.7(2) . . . . ?
C8 O1 C7 C2 -168.7(2) . . . . ?
Ru1 O1 C7 C2 6.4(3) . . . . ?
C5 C6 C7 O1 178.6(3) . . . . ?
C5 C6 C7 C2 -0.4(4) . . . . ?
C3 C2 C7 O1 -179.4(2) . . . . ?
C1 C2 C7 O1 -1.9(3) . . . . ?
C3 C2 C7 C6 -0.3(4) . . . . ?
C1 C2 C7 C6 177.2(2) . . . . ?
C7 O1 C8 C10 -165.8(2) . . . . ?
Ru1 O1 C8 C10 20.3(3) . . . . ?
C7 O1 C8 C9 71.6(3) . . . . ?
Ru1 O1 C8 C9 -102.3(3) . . . . ?
C13 N2 C11 N1 0.2(3) . . . . ?
C23 N2 C11 N1 179.8(2) . . . . ?
C13 N2 C11 Ru1 179.54(17) . . . . ?
C23 N2 C11 Ru1 -0.8(3) . . . . ?
C12 N1 C11 N2 -0.2(3) . . . . ?
C14 N1 C11 N2 -177.7(2) . . . . ?
C12 N1 C11 Ru1 -179.4(2) . . . . ?
C14 N1 C11 Ru1 3.0(4) . . . . ?
C1 Ru1 C11 N2 175.55(19) . . . . ?
O1 Ru1 C11 N2 67(6) . . . . ?
Cl1 Ru1 C11 N2 73.30(19) . . . . ?
Cl2 Ru1 C11 N2 -77.29(19) . . . . ?
C1 Ru1 C11 N1 -5.3(3) . . . . ?
O1 Ru1 C11 N1 -114(6) . . . . ?
Cl1 Ru1 C11 N1 -107.6(2) . . . . ?
Cl2 Ru1 C11 N1 101.8(2) . . . . ?
C11 N1 C12 C13 0.1(3) . . . . ?
C14 N1 C12 C13 177.8(2) . . . . ?
N1 C12 C13 N2 0.0(3) . . . . ?
C11 N2 C13 C12 -0.1(3) . . . . ?
C23 N2 C13 C12 -179.7(2) . . . . ?
C11 N1 C14 C15 -90.6(3) . . . . ?
C12 N1 C14 C15 92.1(3) . . . . ?
C11 N1 C14 C19 91.1(3) . . . . ?
C12 N1 C14 C19 -86.2(3) . . . . ?
C19 C14 C15 C16 -1.1(4) . . . . ?
N1 C14 C15 C16 -179.3(2) . . . . ?
C19 C14 C15 C20 -179.9(2) . . . . ?
N1 C14 C15 C20 1.9(4) . . . . ?
C14 C15 C16 C17 0.9(4) . . . . ?
C20 C15 C16 C17 179.7(3) . . . . ?
C15 C16 C17 C18 0.1(4) . . . . ?
C15 C16 C17 C21 179.4(3) . . . . ?
C16 C17 C18 C19 -1.0(4) . . . . ?
C21 C17 C18 C19 179.7(3) . . . . ?
C17 C18 C19 C14 0.8(4) . . . . ?
C17 C18 C19 C22 -177.7(3) . . . . ?
C15 C14 C19 C18 0.2(4) . . . . ?
N1 C14 C19 C18 178.5(2) . . . . ?
C15 C14 C19 C22 178.8(2) . . . . ?
N1 C14 C19 C22 -3.0(3) . . . . ?
C11 N2 C23 C27 118.9(3) . . . . ?
C13 N2 C23 C27 -61.6(3) . . . . ?
C11 N2 C23 C24 -121.2(3) . . . . ?
C13 N2 C23 C24 58.4(3) . . . . ?
N2 C23 C24 C25 -157.5(2) . . . . ?
C27 C23 C24 C25 -32.3(3) . . . . ?
C23 C24 C25 C26 16.6(3) . . . . ?
C24 C25 C26 C27 5.4(4) . . . . ?
C25 C26 C27 C23 -25.3(4) . . . . ?
N2 C23 C27 C26 160.5(3) . . . . ?
C24 C23 C27 C26 35.5(3) . . . . ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.612
_refine_diff_density_min         -0.542
_refine_diff_density_rms         0.073


_database_code_depnum_ccdc_archive 'CCDC 876822'
