# Electronic Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_email       cc111@st-andrews.ac.uk
_publ_contact_author_name        'Catherine Cazin'
loop_
_publ_author_name
'Olivier Songis'
'Alexandra M. Z. Slawin'
'Catherine S. J. Cazin'

data_caz-1+
_database_code_depnum_ccdc_archive 'CCDC 832820'
#TrackingRef '6116_web_deposit_cif_file_0_CatherineCazin_
#1309802698.caz-1plus.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C45 H57 Cl F6 N2 O3 P Ru Sb,(C4 H8 O2)0.5'
_chemical_formula_sum            'C47 H61 Cl F6 N2 O4 P Ru Sb'
_chemical_formula_weight         1121.22

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'
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'
Sb Sb -0.5866 1.5461 '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                   10.437(2)
_cell_length_b                   18.553(3)
_cell_length_c                   25.766(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.542(6)
_cell_angle_gamma                90.00
_cell_volume                     4966.1(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    15962
_cell_measurement_theta_min      2.2
_cell_measurement_theta_max      28.9

_exptl_crystal_description       Platelet
_exptl_crystal_colour            Red
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2280
_exptl_absorpt_coefficient_mu    0.999
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.834
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_monochromator  confocal
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       '\w and \f scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30566
_diffrn_reflns_av_R_equivalents  0.0409
_diffrn_reflns_av_sigmaI/netI    0.0575
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         25.33
_reflns_number_total             9021
_reflns_number_gt                7323
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Corp., 2004)'
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2004)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2004)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger. There is a halfweight
disordered molecule of ethyl acetate which did not have its associated
hydrogen atoms included in the refinement.
;

_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^)+(0.0492P)^2^+0.8154P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9021
_refine_ls_number_parameters     583
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0409
_refine_ls_wR_factor_ref         0.1054
_refine_ls_wR_factor_gt          0.0948
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.002
_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 0.26185(3) 0.232198(15) 0.843216(11) 0.02220(10) Uani 1 1 d . . .
Cl1 Cl 0.39225(11) 0.13573(5) 0.87275(4) 0.0372(3) Uani 1 1 d . . .
P1 P 0.24118(10) 0.27417(5) 0.92111(4) 0.0230(2) Uani 1 1 d . . .
C1 C 0.0970(4) 0.27840(18) 0.80938(13) 0.0223(8) Uani 1 1 d . . .
N2 N -0.0095(3) 0.23778(15) 0.81152(12) 0.0243(7) Uani 1 1 d . . .
C3 C -0.1215(4) 0.26460(19) 0.77843(16) 0.0299(9) Uani 1 1 d . . .
H3A H -0.1969 0.2710 0.7985 0.036 Uiso 1 1 calc R . .
H3B H -0.1448 0.2319 0.7487 0.036 Uiso 1 1 calc R . .
C4 C -0.0718(4) 0.3370(2) 0.76021(16) 0.0305(9) Uani 1 1 d . . .
H4A H -0.0828 0.3408 0.7217 0.037 Uiso 1 1 calc R . .
H4B H -0.1172 0.3777 0.7753 0.037 Uiso 1 1 calc R . .
N5 N 0.0654(3) 0.33609(14) 0.77991(11) 0.0210(6) Uani 1 1 d . . .
C6 C -0.0051(4) 0.16500(18) 0.83119(14) 0.0244(8) Uani 1 1 d . . .
C7 C 0.0690(4) 0.1131(2) 0.80756(15) 0.0311(9) Uani 1 1 d . . .
C8 C 0.0696(5) 0.0432(2) 0.82682(16) 0.0390(11) Uani 1 1 d . . .
H8A H 0.1219 0.0080 0.8124 0.047 Uiso 1 1 calc R . .
C9 C -0.0039(5) 0.0233(2) 0.86646(18) 0.0461(12) Uani 1 1 d . . .
C10 C -0.0808(5) 0.0752(2) 0.88715(17) 0.0438(11) Uani 1 1 d . . .
H10A H -0.1348 0.0613 0.9131 0.053 Uiso 1 1 calc R . .
C11 C -0.0810(4) 0.1469(2) 0.87096(16) 0.0342(10) Uani 1 1 d . . .
C12 C 0.1386(4) 0.1292(2) 0.76027(16) 0.0405(11) Uani 1 1 d . . .
H12A H 0.1831 0.0857 0.7500 0.061 Uiso 1 1 calc R . .
H12B H 0.2016 0.1677 0.7686 0.061 Uiso 1 1 calc R . .
H12C H 0.0764 0.1447 0.7315 0.061 Uiso 1 1 calc R . .
C13 C -0.0005(6) -0.0529(2) 0.8882(2) 0.0649(16) Uani 1 1 d . . .
H13A H 0.0580 -0.0824 0.8695 0.097 Uiso 1 1 calc R . .
H13B H -0.0872 -0.0736 0.8836 0.097 Uiso 1 1 calc R . .
H13C H 0.0300 -0.0517 0.9253 0.097 Uiso 1 1 calc R . .
C14 C -0.1596(5) 0.2026(2) 0.89677(18) 0.0454(12) Uani 1 1 d . . .
H14A H -0.1479 0.2499 0.8809 0.068 Uiso 1 1 calc R . .
H14B H -0.1309 0.2049 0.9341 0.068 Uiso 1 1 calc R . .
H14C H -0.2508 0.1893 0.8921 0.068 Uiso 1 1 calc R . .
C15 C 0.1473(3) 0.39206(18) 0.76218(13) 0.0213(8) Uani 1 1 d . . .
C16 C 0.1462(4) 0.45970(19) 0.78584(14) 0.0256(8) Uani 1 1 d . . .
C17 C 0.2203(4) 0.51459(19) 0.76645(15) 0.0310(9) Uani 1 1 d . . .
H17A H 0.2201 0.5612 0.7817 0.037 Uiso 1 1 calc R . .
C18 C 0.2943(4) 0.5021(2) 0.72527(16) 0.0321(9) Uani 1 1 d . . .
C19 C 0.2898(4) 0.4348(2) 0.70197(15) 0.0311(9) Uani 1 1 d . . .
H19A H 0.3393 0.4263 0.6735 0.037 Uiso 1 1 calc R . .
C20 C 0.2146(4) 0.37889(19) 0.71910(14) 0.0251(8) Uani 1 1 d . . .
C21 C 0.0669(4) 0.4748(2) 0.83066(15) 0.0329(9) Uani 1 1 d . . .
H21A H 0.0209 0.4310 0.8392 0.049 Uiso 1 1 calc R . .
H21B H 0.0047 0.5131 0.8207 0.049 Uiso 1 1 calc R . .
H21C H 0.1237 0.4901 0.8612 0.049 Uiso 1 1 calc R . .
C22 C 0.3792(5) 0.5616(2) 0.70622(19) 0.0492(12) Uani 1 1 d . . .
H22A H 0.4239 0.5436 0.6771 0.074 Uiso 1 1 calc R . .
H22B H 0.4426 0.5765 0.7348 0.074 Uiso 1 1 calc R . .
H22C H 0.3256 0.6030 0.6946 0.074 Uiso 1 1 calc R . .
C23 C 0.2058(4) 0.30788(19) 0.69055(14) 0.0294(9) Uani 1 1 d . . .
H23A H 0.2600 0.3095 0.6615 0.044 Uiso 1 1 calc R . .
H23B H 0.1163 0.2989 0.6770 0.044 Uiso 1 1 calc R . .
H23C H 0.2355 0.2691 0.7146 0.044 Uiso 1 1 calc R . .
C24 C 0.3696(4) 0.30738(19) 0.82657(14) 0.0244(8) Uani 1 1 d . . .
C25 C 0.3943(4) 0.37930(18) 0.84819(14) 0.0260(8) Uani 1 1 d . . .
H25A H 0.3494 0.3997 0.8750 0.031 Uiso 1 1 calc R . .
C26 C 0.4886(4) 0.41323(18) 0.82545(14) 0.0245(8) Uani 1 1 d . . .
C27 C 0.5276(4) 0.36601(19) 0.78314(14) 0.0257(8) Uani 1 1 d . . .
C28 C 0.6071(4) 0.3776(2) 0.74396(14) 0.0284(9) Uani 1 1 d . . .
H28A H 0.6505 0.4224 0.7415 0.034 Uiso 1 1 calc R . .
C29 C 0.6226(4) 0.3225(2) 0.70794(14) 0.0307(9) Uani 1 1 d . . .
H29A H 0.6753 0.3304 0.6804 0.037 Uiso 1 1 calc R . .
C30 C 0.5615(4) 0.2563(2) 0.71201(15) 0.0302(9) Uani 1 1 d . . .
H30A H 0.5756 0.2188 0.6882 0.036 Uiso 1 1 calc R . .
C31 C 0.4796(4) 0.2449(2) 0.75102(14) 0.0265(8) Uani 1 1 d . . .
H31A H 0.4383 0.1996 0.7540 0.032 Uiso 1 1 calc R . .
C32 C 0.4594(4) 0.30058(18) 0.78545(14) 0.0236(8) Uani 1 1 d . . .
C33 C 0.5485(4) 0.48289(19) 0.84174(14) 0.0259(8) Uani 1 1 d . . .
C34 C 0.4755(4) 0.53698(19) 0.86308(14) 0.0270(8) Uani 1 1 d . . .
H34A H 0.3861 0.5300 0.8653 0.032 Uiso 1 1 calc R . .
C35 C 0.5343(4) 0.6011(2) 0.88098(15) 0.0328(9) Uani 1 1 d . . .
H35A H 0.4845 0.6374 0.8955 0.039 Uiso 1 1 calc R . .
C36 C 0.6636(4) 0.6123(2) 0.87780(15) 0.0339(10) Uani 1 1 d . . .
H36A H 0.7023 0.6566 0.8892 0.041 Uiso 1 1 calc R . .
C37 C 0.7374(4) 0.5584(2) 0.85775(16) 0.0353(10) Uani 1 1 d . . .
H37A H 0.8273 0.5652 0.8566 0.042 Uiso 1 1 calc R . .
C38 C 0.6797(4) 0.4949(2) 0.83941(15) 0.0311(9) Uani 1 1 d . . .
H38A H 0.7304 0.4589 0.8250 0.037 Uiso 1 1 calc R . .
O39 O 0.1583(2) 0.34506(12) 0.92182(9) 0.0259(6) Uani 1 1 d . . .
C39 C 0.1307(5) 0.3799(2) 0.97175(15) 0.0373(11) Uani 1 1 d . . .
H39A H 0.1466 0.3443 1.0008 0.045 Uiso 1 1 calc R . .
C40 C -0.0100(5) 0.3997(2) 0.96571(19) 0.0509(13) Uani 1 1 d . . .
H40A H -0.0620 0.3561 0.9595 0.076 Uiso 1 1 calc R . .
H40B H -0.0269 0.4327 0.9361 0.076 Uiso 1 1 calc R . .
H40C H -0.0326 0.4234 0.9976 0.076 Uiso 1 1 calc R . .
C41 C 0.2196(5) 0.4431(2) 0.98199(17) 0.0481(12) Uani 1 1 d . . .
H41A H 0.3089 0.4262 0.9858 0.072 Uiso 1 1 calc R . .
H41B H 0.2003 0.4674 1.0141 0.072 Uiso 1 1 calc R . .
H41C H 0.2074 0.4770 0.9527 0.072 Uiso 1 1 calc R . .
O42 O 0.3676(3) 0.29118(13) 0.95784(10) 0.0314(6) Uani 1 1 d . . .
C42 C 0.5054(4) 0.2831(2) 0.95142(16) 0.0399(11) Uani 1 1 d . . .
H42A H 0.5169 0.2732 0.9140 0.048 Uiso 1 1 calc R . .
C43 C 0.5691(4) 0.3534(3) 0.96772(18) 0.0522(13) Uani 1 1 d . . .
H43A H 0.5330 0.3921 0.9449 0.078 Uiso 1 1 calc R . .
H43B H 0.6619 0.3497 0.9650 0.078 Uiso 1 1 calc R . .
H43C H 0.5540 0.3641 1.0039 0.078 Uiso 1 1 calc R . .
C44 C 0.5581(5) 0.2199(3) 0.98512(18) 0.0507(13) Uani 1 1 d . . .
H44A H 0.5144 0.1754 0.9729 0.076 Uiso 1 1 calc R . .
H44B H 0.5429 0.2287 1.0215 0.076 Uiso 1 1 calc R . .
H44C H 0.6508 0.2151 0.9825 0.076 Uiso 1 1 calc R . .
O45 O 0.1641(3) 0.22068(13) 0.95480(10) 0.0286(6) Uani 1 1 d . . .
C45 C 0.2259(5) 0.16650(19) 0.99112(15) 0.0366(10) Uani 1 1 d . . .
H45A H 0.3146 0.1561 0.9816 0.044 Uiso 1 1 calc R . .
C46 C 0.2336(5) 0.1974(2) 1.04531(16) 0.0463(12) Uani 1 1 d . . .
H46A H 0.2884 0.2404 1.0471 0.069 Uiso 1 1 calc R . .
H46B H 0.2703 0.1615 1.0703 0.069 Uiso 1 1 calc R . .
H46C H 0.1471 0.2106 1.0538 0.069 Uiso 1 1 calc R . .
C47 C 0.1454(6) 0.0993(2) 0.9849(2) 0.0715(18) Uani 1 1 d . . .
H47A H 0.1452 0.0813 0.9491 0.107 Uiso 1 1 calc R . .
H47B H 0.0570 0.1103 0.9921 0.107 Uiso 1 1 calc R . .
H47C H 0.1815 0.0625 1.0094 0.107 Uiso 1 1 calc R . .
Sb1 Sb 0.14119(3) 0.701202(13) 0.898223(10) 0.02765(10) Uani 1 1 d . . .
F1 F 0.0957(3) 0.79022(13) 0.86827(12) 0.0640(9) Uani 1 1 d . . .
F2 F 0.1931(3) 0.61164(13) 0.92540(10) 0.0603(8) Uani 1 1 d . . .
F3 F -0.0300(3) 0.67313(16) 0.89477(12) 0.0692(9) Uani 1 1 d . . .
F4 F 0.3138(2) 0.73069(13) 0.89994(9) 0.0447(6) Uani 1 1 d . . .
F5 F 0.1489(3) 0.66474(13) 0.83085(9) 0.0588(8) Uani 1 1 d . . .
F6 F 0.1315(3) 0.73855(15) 0.96475(10) 0.0553(7) Uani 1 1 d . . .
C51 C 0.5869(10) 0.4441(4) 0.5826(3) 0.112(3) Uani 1 1 d . . .
O52 O 0.3782(12) 0.4760(5) 0.5650(3) 0.102(3) Uani 0.50 1 d P . .
C52 C 0.4868(15) 0.4762(7) 0.5545(6) 0.076(4) Uani 0.50 1 d P . .
O53 O 0.5000 0.5000 0.5000 0.095(2) Uani 1 2 d S . .
C54 C 0.3857(15) 0.5335(7) 0.4700(5) 0.090(5) Uani 0.50 1 d P . .

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 0.0249(2) 0.02222(17) 0.01971(17) -0.00120(11) 0.00355(13) 0.00535(12)
Cl1 0.0435(7) 0.0351(5) 0.0324(5) -0.0028(4) 0.0011(5) 0.0194(5)
P1 0.0254(6) 0.0248(5) 0.0189(5) -0.0006(4) 0.0029(4) 0.0057(4)
C1 0.026(2) 0.0241(18) 0.0182(18) -0.0011(14) 0.0102(16) -0.0009(16)
N2 0.0244(18) 0.0225(15) 0.0260(17) 0.0033(12) 0.0022(14) -0.0031(13)
C3 0.023(2) 0.031(2) 0.036(2) 0.0038(17) 0.0006(18) -0.0051(17)
C4 0.022(2) 0.037(2) 0.032(2) 0.0077(17) -0.0003(17) -0.0057(17)
N5 0.0164(16) 0.0241(15) 0.0223(16) 0.0022(12) 0.0003(13) -0.0047(12)
C6 0.024(2) 0.0232(18) 0.025(2) 0.0027(15) -0.0012(16) -0.0012(16)
C7 0.030(2) 0.033(2) 0.029(2) -0.0078(17) -0.0033(18) 0.0004(18)
C8 0.056(3) 0.029(2) 0.030(2) -0.0081(17) -0.009(2) 0.003(2)
C9 0.060(3) 0.025(2) 0.050(3) 0.0030(19) -0.014(2) -0.011(2)
C10 0.049(3) 0.039(2) 0.044(3) 0.014(2) 0.006(2) -0.011(2)
C11 0.033(2) 0.035(2) 0.036(2) 0.0062(18) 0.0058(19) -0.0071(18)
C12 0.048(3) 0.044(2) 0.030(2) -0.0131(19) 0.005(2) 0.008(2)
C13 0.098(5) 0.028(2) 0.063(3) 0.013(2) -0.018(3) -0.011(3)
C14 0.047(3) 0.052(3) 0.041(3) 0.015(2) 0.022(2) 0.009(2)
C15 0.020(2) 0.0243(18) 0.0186(18) 0.0075(14) -0.0043(15) -0.0016(15)
C16 0.021(2) 0.032(2) 0.0230(19) 0.0057(16) -0.0046(16) 0.0007(16)
C17 0.031(2) 0.0250(19) 0.036(2) 0.0030(17) 0.0001(19) -0.0051(17)
C18 0.025(2) 0.035(2) 0.035(2) 0.0160(18) -0.0001(18) -0.0054(18)
C19 0.026(2) 0.044(2) 0.024(2) 0.0060(17) 0.0027(17) -0.0034(18)
C20 0.019(2) 0.033(2) 0.0229(19) 0.0046(16) 0.0000(16) 0.0011(16)
C21 0.037(3) 0.030(2) 0.032(2) -0.0001(17) 0.0065(19) 0.0047(18)
C22 0.047(3) 0.046(3) 0.055(3) 0.016(2) 0.009(2) -0.021(2)
C23 0.032(2) 0.038(2) 0.019(2) 0.0012(16) 0.0038(17) 0.0013(17)
C24 0.016(2) 0.035(2) 0.0214(19) -0.0001(15) 0.0001(16) 0.0075(16)
C25 0.021(2) 0.032(2) 0.026(2) -0.0046(16) 0.0082(17) 0.0044(16)
C26 0.020(2) 0.0294(19) 0.0235(19) -0.0022(15) -0.0009(16) 0.0034(16)
C27 0.018(2) 0.035(2) 0.0234(19) -0.0048(16) 0.0010(16) 0.0062(16)
C28 0.022(2) 0.038(2) 0.026(2) -0.0023(16) 0.0022(17) 0.0011(17)
C29 0.021(2) 0.052(2) 0.020(2) -0.0032(17) 0.0059(17) 0.0024(19)
C30 0.024(2) 0.040(2) 0.025(2) -0.0104(17) -0.0003(17) 0.0045(18)
C31 0.018(2) 0.035(2) 0.027(2) -0.0046(16) 0.0030(16) 0.0048(16)
C32 0.018(2) 0.0324(19) 0.0206(19) -0.0013(15) 0.0018(15) 0.0020(16)
C33 0.020(2) 0.033(2) 0.025(2) -0.0026(16) 0.0022(16) -0.0018(16)
C34 0.020(2) 0.034(2) 0.027(2) 0.0003(16) 0.0008(17) 0.0028(17)
C35 0.037(3) 0.033(2) 0.029(2) -0.0025(17) 0.0061(19) 0.0050(19)
C36 0.040(3) 0.031(2) 0.030(2) -0.0007(17) 0.0016(19) -0.0071(19)
C37 0.025(2) 0.046(2) 0.036(2) -0.0109(19) 0.0111(19) -0.0088(19)
C38 0.023(2) 0.040(2) 0.032(2) -0.0056(18) 0.0079(18) 0.0004(18)
O39 0.0326(16) 0.0259(13) 0.0204(13) 0.0000(10) 0.0093(11) 0.0083(11)
C39 0.063(3) 0.030(2) 0.022(2) 0.0019(16) 0.016(2) 0.018(2)
C40 0.065(4) 0.037(2) 0.058(3) 0.001(2) 0.042(3) 0.011(2)
C41 0.065(3) 0.041(2) 0.038(3) -0.011(2) 0.000(2) 0.019(2)
O42 0.0277(16) 0.0423(15) 0.0246(14) -0.0047(12) 0.0038(12) 0.0043(12)
C42 0.026(2) 0.070(3) 0.023(2) -0.010(2) -0.0043(18) 0.007(2)
C43 0.032(3) 0.083(3) 0.041(3) -0.009(2) -0.004(2) -0.013(2)
C44 0.038(3) 0.072(3) 0.040(3) -0.012(2) -0.010(2) 0.016(2)
O45 0.0365(17) 0.0295(13) 0.0201(13) 0.0054(10) 0.0048(12) 0.0055(12)
C45 0.057(3) 0.027(2) 0.024(2) 0.0009(16) -0.002(2) 0.009(2)
C46 0.075(4) 0.035(2) 0.029(2) 0.0022(18) 0.009(2) 0.010(2)
C47 0.129(5) 0.032(2) 0.047(3) 0.012(2) -0.027(3) -0.013(3)
Sb1 0.02806(18) 0.02836(16) 0.02617(16) -0.00154(10) 0.00082(12) 0.00199(11)
F1 0.061(2) 0.0359(14) 0.088(2) 0.0095(14) -0.0258(17) 0.0097(13)
F2 0.084(2) 0.0438(15) 0.0537(17) 0.0194(12) 0.0068(16) 0.0155(14)
F3 0.0361(17) 0.085(2) 0.085(2) -0.0185(17) 0.0000(16) -0.0218(15)
F4 0.0289(14) 0.0684(16) 0.0378(14) 0.0007(12) 0.0075(11) -0.0003(12)
F5 0.094(2) 0.0520(15) 0.0301(14) -0.0081(12) 0.0072(14) -0.0157(15)
F6 0.0474(18) 0.0770(18) 0.0445(16) -0.0294(14) 0.0190(13) -0.0164(14)
C51 0.166(9) 0.090(5) 0.080(5) 0.015(4) 0.010(6) -0.008(5)
O52 0.127(9) 0.116(7) 0.061(6) -0.006(5) 0.005(6) -0.056(7)
C52 0.075(10) 0.066(8) 0.091(10) -0.027(7) 0.025(9) -0.051(7)
O53 0.138(7) 0.075(4) 0.079(4) 0.004(3) 0.041(5) -0.038(4)
C54 0.129(13) 0.082(8) 0.050(7) 0.032(6) -0.030(8) -0.051(9)

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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C24 1.868(4) . ?
Ru1 C1 2.041(4) . ?
Ru1 P1 2.1828(10) . ?
Ru1 Cl1 2.3313(10) . ?
P1 O39 1.575(2) . ?
P1 O42 1.580(3) . ?
P1 O45 1.588(3) . ?
C1 N5 1.335(4) . ?
C1 N2 1.348(5) . ?
N2 C6 1.442(4) . ?
N2 C3 1.466(5) . ?
C3 C4 1.530(5) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 N5 1.473(5) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
N5 C15 1.447(4) . ?
C6 C11 1.396(5) . ?
C6 C7 1.410(5) . ?
C7 C8 1.388(5) . ?
C7 C12 1.508(6) . ?
C8 C9 1.385(6) . ?
C8 H8A 0.9500 . ?
C9 C10 1.392(6) . ?
C9 C13 1.519(6) . ?
C10 C11 1.395(5) . ?
C10 H10A 0.9500 . ?
C11 C14 1.513(6) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C20 1.391(5) . ?
C15 C16 1.396(5) . ?
C16 C17 1.400(5) . ?
C16 C21 1.511(5) . ?
C17 C18 1.391(6) . ?
C17 H17A 0.9500 . ?
C18 C19 1.385(6) . ?
C18 C22 1.526(5) . ?
C19 C20 1.397(5) . ?
C19 H19A 0.9500 . ?
C20 C23 1.507(5) . ?
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 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.459(5) . ?
C24 C32 1.486(5) . ?
C25 C26 1.349(5) . ?
C25 H25A 0.9500 . ?
C26 C33 1.479(5) . ?
C26 C27 1.486(5) . ?
C27 C28 1.384(5) . ?
C27 C32 1.411(5) . ?
C28 C29 1.401(5) . ?
C28 H28A 0.9500 . ?
C29 C30 1.392(6) . ?
C29 H29A 0.9500 . ?
C30 C31 1.397(5) . ?
C30 H30A 0.9500 . ?
C31 C32 1.391(5) . ?
C31 H31A 0.9500 . ?
C33 C38 1.394(5) . ?
C33 C34 1.403(5) . ?
C34 C35 1.396(5) . ?
C34 H34A 0.9500 . ?
C35 C36 1.376(6) . ?
C35 H35A 0.9500 . ?
C36 C37 1.391(5) . ?
C36 H36A 0.9500 . ?
C37 C38 1.386(5) . ?
C37 H37A 0.9500 . ?
C38 H38A 0.9500 . ?
O39 C39 1.492(4) . ?
C39 C41 1.503(6) . ?
C39 C40 1.508(6) . ?
C39 H39A 1.0000 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
O42 C42 1.471(5) . ?
C42 C43 1.506(6) . ?
C42 C44 1.529(6) . ?
C42 H42A 1.0000 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
O45 C45 1.478(4) . ?
C45 C47 1.504(6) . ?
C45 C46 1.505(5) . ?
C45 H45A 1.0000 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
Sb1 F3 1.855(3) . ?
Sb1 F6 1.861(2) . ?
Sb1 F2 1.863(2) . ?
Sb1 F1 1.865(2) . ?
Sb1 F5 1.872(2) . ?
Sb1 F4 1.879(2) . ?
C51 C52 1.351(16) . ?
C51 C54 1.473(13) 3_666 ?
O52 C52 1.191(15) . ?
C52 O53 1.492(15) . ?
C52 C54 1.54(2) 3_666 ?
O53 C52 1.492(15) 3_666 ?
O53 C54 1.493(15) 3_666 ?
O53 C54 1.493(15) . ?
C54 C51 1.473(13) 3_666 ?
C54 C52 1.54(2) 3_666 ?

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
C24 Ru1 C1 95.15(14) . . ?
C24 Ru1 P1 93.44(11) . . ?
C1 Ru1 P1 95.10(10) . . ?
C24 Ru1 Cl1 107.63(11) . . ?
C1 Ru1 Cl1 154.61(10) . . ?
P1 Ru1 Cl1 94.60(4) . . ?
O39 P1 O42 104.71(14) . . ?
O39 P1 O45 101.99(14) . . ?
O42 P1 O45 103.61(14) . . ?
O39 P1 Ru1 114.32(10) . . ?
O42 P1 Ru1 118.11(11) . . ?
O45 P1 Ru1 112.34(10) . . ?
N5 C1 N2 108.2(3) . . ?
N5 C1 Ru1 137.0(3) . . ?
N2 C1 Ru1 114.3(2) . . ?
C1 N2 C6 122.7(3) . . ?
C1 N2 C3 113.6(3) . . ?
C6 N2 C3 121.2(3) . . ?
N2 C3 C4 101.6(3) . . ?
N2 C3 H3A 111.4 . . ?
C4 C3 H3A 111.4 . . ?
N2 C3 H3B 111.4 . . ?
C4 C3 H3B 111.4 . . ?
H3A C3 H3B 109.3 . . ?
N5 C4 C3 103.3(3) . . ?
N5 C4 H4A 111.1 . . ?
C3 C4 H4A 111.1 . . ?
N5 C4 H4B 111.1 . . ?
C3 C4 H4B 111.1 . . ?
H4A C4 H4B 109.1 . . ?
C1 N5 C15 129.3(3) . . ?
C1 N5 C4 112.6(3) . . ?
C15 N5 C4 117.9(3) . . ?
C11 C6 C7 121.8(3) . . ?
C11 C6 N2 118.8(3) . . ?
C7 C6 N2 119.2(3) . . ?
C8 C7 C6 117.9(4) . . ?
C8 C7 C12 119.2(4) . . ?
C6 C7 C12 122.7(3) . . ?
C9 C8 C7 121.9(4) . . ?
C9 C8 H8A 119.1 . . ?
C7 C8 H8A 119.1 . . ?
C8 C9 C10 118.7(4) . . ?
C8 C9 C13 121.6(5) . . ?
C10 C9 C13 119.7(5) . . ?
C9 C10 C11 122.0(4) . . ?
C9 C10 H10A 119.0 . . ?
C11 C10 H10A 119.0 . . ?
C10 C11 C6 117.7(4) . . ?
C10 C11 C14 120.4(4) . . ?
C6 C11 C14 121.9(3) . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C9 C13 H13A 109.5 . . ?
C9 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C9 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C16 122.2(3) . . ?
C20 C15 N5 119.0(3) . . ?
C16 C15 N5 118.5(3) . . ?
C15 C16 C17 118.0(3) . . ?
C15 C16 C21 122.0(3) . . ?
C17 C16 C21 120.0(3) . . ?
C18 C17 C16 121.2(4) . . ?
C18 C17 H17A 119.4 . . ?
C16 C17 H17A 119.4 . . ?
C19 C18 C17 118.9(3) . . ?
C19 C18 C22 120.6(4) . . ?
C17 C18 C22 120.5(4) . . ?
C18 C19 C20 121.9(4) . . ?
C18 C19 H19A 119.0 . . ?
C20 C19 H19A 119.0 . . ?
C15 C20 C19 117.6(3) . . ?
C15 C20 C23 122.1(3) . . ?
C19 C20 C23 120.3(3) . . ?
C16 C21 H21A 109.5 . . ?
C16 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C16 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C18 C22 H22A 109.5 . . ?
C18 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C18 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C32 104.4(3) . . ?
C25 C24 Ru1 133.1(3) . . ?
C32 C24 Ru1 122.4(3) . . ?
C26 C25 C24 111.7(3) . . ?
C26 C25 H25A 124.1 . . ?
C24 C25 H25A 124.1 . . ?
C25 C26 C33 126.2(3) . . ?
C25 C26 C27 107.9(3) . . ?
C33 C26 C27 125.8(3) . . ?
C28 C27 C32 120.3(3) . . ?
C28 C27 C26 132.0(3) . . ?
C32 C27 C26 107.5(3) . . ?
C27 C28 C29 119.0(4) . . ?
C27 C28 H28A 120.5 . . ?
C29 C28 H28A 120.5 . . ?
C30 C29 C28 120.7(4) . . ?
C30 C29 H29A 119.6 . . ?
C28 C29 H29A 119.6 . . ?
C29 C30 C31 120.3(3) . . ?
C29 C30 H30A 119.8 . . ?
C31 C30 H30A 119.8 . . ?
C32 C31 C30 119.1(4) . . ?
C32 C31 H31A 120.5 . . ?
C30 C31 H31A 120.5 . . ?
C31 C32 C27 120.3(3) . . ?
C31 C32 C24 131.5(3) . . ?
C27 C32 C24 108.2(3) . . ?
C38 C33 C34 118.4(3) . . ?
C38 C33 C26 121.1(3) . . ?
C34 C33 C26 120.4(3) . . ?
C35 C34 C33 120.0(4) . . ?
C35 C34 H34A 120.0 . . ?
C33 C34 H34A 120.0 . . ?
C36 C35 C34 120.8(4) . . ?
C36 C35 H35A 119.6 . . ?
C34 C35 H35A 119.6 . . ?
C35 C36 C37 119.6(4) . . ?
C35 C36 H36A 120.2 . . ?
C37 C36 H36A 120.2 . . ?
C38 C37 C36 120.0(4) . . ?
C38 C37 H37A 120.0 . . ?
C36 C37 H37A 120.0 . . ?
C37 C38 C33 121.2(4) . . ?
C37 C38 H38A 119.4 . . ?
C33 C38 H38A 119.4 . . ?
C39 O39 P1 121.6(2) . . ?
O39 C39 C41 108.8(3) . . ?
O39 C39 C40 106.5(3) . . ?
C41 C39 C40 114.0(3) . . ?
O39 C39 H39A 109.2 . . ?
C41 C39 H39A 109.2 . . ?
C40 C39 H39A 109.2 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C42 O42 P1 132.9(2) . . ?
O42 C42 C43 106.9(3) . . ?
O42 C42 C44 108.5(4) . . ?
C43 C42 C44 112.4(3) . . ?
O42 C42 H42A 109.7 . . ?
C43 C42 H42A 109.7 . . ?
C44 C42 H42A 109.7 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C45 O45 P1 123.9(3) . . ?
O45 C45 C47 106.9(4) . . ?
O45 C45 C46 108.0(3) . . ?
C47 C45 C46 113.2(4) . . ?
O45 C45 H45A 109.5 . . ?
C47 C45 H45A 109.5 . . ?
C46 C45 H45A 109.5 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
F3 Sb1 F6 90.63(13) . . ?
F3 Sb1 F2 90.64(14) . . ?
F6 Sb1 F2 91.46(13) . . ?
F3 Sb1 F1 91.32(14) . . ?
F6 Sb1 F1 90.98(14) . . ?
F2 Sb1 F1 176.85(14) . . ?
F3 Sb1 F5 88.95(13) . . ?
F6 Sb1 F5 179.06(13) . . ?
F2 Sb1 F5 89.38(12) . . ?
F1 Sb1 F5 88.19(13) . . ?
F3 Sb1 F4 178.48(13) . . ?
F6 Sb1 F4 90.41(11) . . ?
F2 Sb1 F4 90.44(13) . . ?
F1 Sb1 F4 87.56(12) . . ?
F5 Sb1 F4 89.99(12) . . ?
C52 C51 C54 65.8(9) . 3_666 ?
O52 C52 C51 125.5(14) . . ?
O52 C52 O53 113.0(13) . . ?
C51 C52 O53 119.9(11) . . ?
O52 C52 C54 166.7(12) . 3_666 ?
C51 C52 C54 60.9(9) . 3_666 ?
O53 C52 C54 59.0(7) . 3_666 ?
C52 O53 C52 179.999(5) . 3_666 ?
C52 O53 C54 62.0(8) . 3_666 ?
C52 O53 C54 118.0(8) 3_666 3_666 ?
C52 O53 C54 118.0(8) . . ?
C52 O53 C54 62.0(8) 3_666 . ?
C54 O53 C54 179.998(5) 3_666 . ?
C51 C54 O53 112.2(12) 3_666 . ?
C51 C54 C52 53.3(8) 3_666 3_666 ?
O53 C54 C52 58.9(9) . 3_666 ?

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
C24 Ru1 P1 O39 70.61(16) . . . . ?
C1 Ru1 P1 O39 -24.88(15) . . . . ?
Cl1 Ru1 P1 O39 178.62(12) . . . . ?
C24 Ru1 P1 O42 -53.27(16) . . . . ?
C1 Ru1 P1 O42 -148.75(15) . . . . ?
Cl1 Ru1 P1 O42 54.74(12) . . . . ?
C24 Ru1 P1 O45 -173.79(15) . . . . ?
C1 Ru1 P1 O45 90.72(15) . . . . ?
Cl1 Ru1 P1 O45 -65.78(12) . . . . ?
C24 Ru1 C1 N5 7.2(4) . . . . ?
P1 Ru1 C1 N5 101.1(4) . . . . ?
Cl1 Ru1 C1 N5 -146.8(3) . . . . ?
C24 Ru1 C1 N2 178.0(3) . . . . ?
P1 Ru1 C1 N2 -88.1(2) . . . . ?
Cl1 Ru1 C1 N2 24.0(4) . . . . ?
N5 C1 N2 C6 167.3(3) . . . . ?
Ru1 C1 N2 C6 -6.1(4) . . . . ?
N5 C1 N2 C3 4.9(4) . . . . ?
Ru1 C1 N2 C3 -168.5(2) . . . . ?
C1 N2 C3 C4 -7.8(4) . . . . ?
C6 N2 C3 C4 -170.4(3) . . . . ?
N2 C3 C4 N5 7.2(4) . . . . ?
N2 C1 N5 C15 -174.0(3) . . . . ?
Ru1 C1 N5 C15 -2.9(6) . . . . ?
N2 C1 N5 C4 0.5(4) . . . . ?
Ru1 C1 N5 C4 171.7(3) . . . . ?
C3 C4 N5 C1 -5.2(4) . . . . ?
C3 C4 N5 C15 170.0(3) . . . . ?
C1 N2 C6 C11 125.9(4) . . . . ?
C3 N2 C6 C11 -73.0(5) . . . . ?
C1 N2 C6 C7 -58.1(5) . . . . ?
C3 N2 C6 C7 103.0(4) . . . . ?
C11 C6 C7 C8 -3.2(6) . . . . ?
N2 C6 C7 C8 -179.0(3) . . . . ?
C11 C6 C7 C12 172.3(4) . . . . ?
N2 C6 C7 C12 -3.6(6) . . . . ?
C6 C7 C8 C9 2.7(6) . . . . ?
C12 C7 C8 C9 -172.9(4) . . . . ?
C7 C8 C9 C10 0.4(6) . . . . ?
C7 C8 C9 C13 -178.6(4) . . . . ?
C8 C9 C10 C11 -3.2(7) . . . . ?
C13 C9 C10 C11 175.8(4) . . . . ?
C9 C10 C11 C6 2.8(6) . . . . ?
C9 C10 C11 C14 -176.1(4) . . . . ?
C7 C6 C11 C10 0.5(6) . . . . ?
N2 C6 C11 C10 176.3(4) . . . . ?
C7 C6 C11 C14 179.4(4) . . . . ?
N2 C6 C11 C14 -4.8(6) . . . . ?
C1 N5 C15 C20 80.6(5) . . . . ?
C4 N5 C15 C20 -93.7(4) . . . . ?
C1 N5 C15 C16 -105.5(4) . . . . ?
C4 N5 C15 C16 80.2(4) . . . . ?
C20 C15 C16 C17 -2.8(5) . . . . ?
N5 C15 C16 C17 -176.5(3) . . . . ?
C20 C15 C16 C21 176.5(3) . . . . ?
N5 C15 C16 C21 2.8(5) . . . . ?
C15 C16 C17 C18 -0.8(6) . . . . ?
C21 C16 C17 C18 179.9(3) . . . . ?
C16 C17 C18 C19 2.6(6) . . . . ?
C16 C17 C18 C22 -177.2(4) . . . . ?
C17 C18 C19 C20 -0.9(6) . . . . ?
C22 C18 C19 C20 178.9(4) . . . . ?
C16 C15 C20 C19 4.4(5) . . . . ?
N5 C15 C20 C19 178.1(3) . . . . ?
C16 C15 C20 C23 -174.2(3) . . . . ?
N5 C15 C20 C23 -0.5(5) . . . . ?
C18 C19 C20 C15 -2.5(6) . . . . ?
C18 C19 C20 C23 176.1(4) . . . . ?
C1 Ru1 C24 C25 76.3(4) . . . . ?
P1 Ru1 C24 C25 -19.1(4) . . . . ?
Cl1 Ru1 C24 C25 -115.0(3) . . . . ?
C1 Ru1 C24 C32 -107.1(3) . . . . ?
P1 Ru1 C24 C32 157.5(3) . . . . ?
Cl1 Ru1 C24 C32 61.6(3) . . . . ?
C32 C24 C25 C26 -1.5(4) . . . . ?
Ru1 C24 C25 C26 175.5(3) . . . . ?
C24 C25 C26 C33 -172.5(3) . . . . ?
C24 C25 C26 C27 4.0(4) . . . . ?
C25 C26 C27 C28 170.8(4) . . . . ?
C33 C26 C27 C28 -12.7(6) . . . . ?
C25 C26 C27 C32 -5.0(4) . . . . ?
C33 C26 C27 C32 171.5(3) . . . . ?
C32 C27 C28 C29 -2.4(5) . . . . ?
C26 C27 C28 C29 -177.9(4) . . . . ?
C27 C28 C29 C30 -1.5(6) . . . . ?
C28 C29 C30 C31 2.5(6) . . . . ?
C29 C30 C31 C32 0.4(6) . . . . ?
C30 C31 C32 C27 -4.3(5) . . . . ?
C30 C31 C32 C24 172.9(4) . . . . ?
C28 C27 C32 C31 5.3(5) . . . . ?
C26 C27 C32 C31 -178.2(3) . . . . ?
C28 C27 C32 C24 -172.4(3) . . . . ?
C26 C27 C32 C24 4.1(4) . . . . ?
C25 C24 C32 C31 -179.1(4) . . . . ?
Ru1 C24 C32 C31 3.4(6) . . . . ?
C25 C24 C32 C27 -1.7(4) . . . . ?
Ru1 C24 C32 C27 -179.2(3) . . . . ?
C25 C26 C33 C38 142.6(4) . . . . ?
C27 C26 C33 C38 -33.3(5) . . . . ?
C25 C26 C33 C34 -33.4(6) . . . . ?
C27 C26 C33 C34 150.8(4) . . . . ?
C38 C33 C34 C35 0.5(5) . . . . ?
C26 C33 C34 C35 176.5(3) . . . . ?
C33 C34 C35 C36 0.3(6) . . . . ?
C34 C35 C36 C37 -1.7(6) . . . . ?
C35 C36 C37 C38 2.3(6) . . . . ?
C36 C37 C38 C33 -1.5(6) . . . . ?
C34 C33 C38 C37 0.2(6) . . . . ?
C26 C33 C38 C37 -175.9(4) . . . . ?
O42 P1 O39 C39 -51.2(3) . . . . ?
O45 P1 O39 C39 56.5(3) . . . . ?
Ru1 P1 O39 C39 178.0(3) . . . . ?
P1 O39 C39 C41 101.1(3) . . . . ?
P1 O39 C39 C40 -135.7(3) . . . . ?
O39 P1 O42 C42 -130.3(3) . . . . ?
O45 P1 O42 C42 123.2(3) . . . . ?
Ru1 P1 O42 C42 -1.7(4) . . . . ?
P1 O42 C42 C43 131.4(3) . . . . ?
P1 O42 C42 C44 -107.2(4) . . . . ?
O39 P1 O45 C45 -143.3(3) . . . . ?
O42 P1 O45 C45 -34.7(3) . . . . ?
Ru1 P1 O45 C45 93.9(3) . . . . ?
P1 O45 C45 C47 -139.6(3) . . . . ?
P1 O45 C45 C46 98.2(4) . . . . ?
C54 C51 C52 O52 166.2(14) 3_666 . . . ?
C54 C51 C52 O53 1.5(8) 3_666 . . . ?
O52 C52 O53 C54 -168.1(12) . . . 3_666 ?
C51 C52 O53 C54 -1.6(8) . . . 3_666 ?
O52 C52 O53 C54 11.9(12) . . . . ?
C51 C52 O53 C54 178.4(8) . . . . ?
C54 C52 O53 C54 179.998(6) 3_666 . . . ?
C52 O53 C54 C51 178.7(7) . . . 3_666 ?
C52 O53 C54 C51 -1.3(7) 3_666 . . 3_666 ?
C52 O53 C54 C52 179.999(6) . . . 3_666 ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         1.144
_refine_diff_density_min         -0.794
_refine_diff_density_rms         0.094