#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:18:08 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178644 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/55/4075589.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4075589
loop_
_publ_author_name
'Althaus, Martin'
'Bonaccorsi, Cristina'
'Mezzetti, Antonio'
'Santoro, Francesco'
_publ_section_title
;
 Chiral Ruthenium PNNP Complexes of Non-Enolized 1,3-Dicarbonyl
 Compounds:  Acidity and Involvement in Asymmetric Michael Addition
;
_journal_issue                   13
_journal_name_full               Organometallics
_journal_page_first              3108
_journal_paper_doi               10.1021/om060389k
_journal_volume                  25
_journal_year                    2006
_chemical_formula_moiety         'C58 H50 N3 O2 P2 Ru, P F6, 3(C H2 Cl2)'
_chemical_formula_sum            'C61.01 H52 Cl6 F6 N3 O2 P3 Ru'
_chemical_formula_weight         1379.92
_chemical_name_common            '[Ru(MeC(O)-N-Bn-d-valerolactamato)(PNNP)]PF6'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.802(2)
_cell_angle_beta                 97.407(2)
_cell_angle_gamma                93.830(2)
_cell_formula_units_Z            2
_cell_length_a                   11.8816(12)
_cell_length_b                   16.0042(17)
_cell_length_c                   16.4275(17)
_cell_measurement_reflns_used    9634
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      28.004
_cell_measurement_theta_min      2.2435
_cell_volume                     3065.2(6)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'BRUKER APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0511
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25128
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.29
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_type              MoK\a
_exptl_absorpt_coefficient_mu    0.659
_exptl_absorpt_correction_T_max  0.9134
_exptl_absorpt_correction_T_min  0.8578
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'sadabs vers. 2.03'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.593
_refine_diff_density_min         -1.027
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     752
_refine_ls_number_reflns         12434
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0848
_refine_ls_R_factor_gt           0.0620
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1102P)²+5.8351P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1739
_refine_ls_wR_factor_ref         0.1924
_reflns_number_gt                9525
_reflns_number_total             12434
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060389ksi20060508_124227.cif
_cod_data_source_block           5b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3065.2(5)
_cod_database_code               4075589
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Ru1 Ru 0.05954(3) 0.26393(2) 0.29082(2) 0.02241(12) Uani 1 1 d .
P1 P -0.10524(9) 0.27663(7) 0.34760(7) 0.0244(2) Uani 1 1 d .
P2 P 0.09191(10) 0.38950(7) 0.24188(7) 0.0259(2) Uani 1 1 d .
P3 P 0.37887(15) 0.22997(10) 0.73189(12) 0.0547(4) Uani 1 1 d .
F1 F 0.4853(5) 0.2342(4) 0.6833(5) 0.129(2) Uani 1 1 d .
F2 F 0.4377(4) 0.3025(3) 0.8018(3) 0.0953(15) Uani 1 1 d .
F3 F 0.3285(5) 0.2997(3) 0.6803(3) 0.0993(16) Uani 1 1 d .
F4 F 0.3153(6) 0.1598(3) 0.6606(3) 0.1141(19) Uani 1 1 d .
F5 F 0.4273(7) 0.1583(4) 0.7780(4) 0.152(3) Uani 1 1 d .
F6 F 0.2690(5) 0.2294(4) 0.7760(4) 0.117(2) Uani 1 1 d .
O1 O -0.0282(3) 0.22929(19) 0.17487(19) 0.0304(7) Uani 1 1 d .
O2 O 0.0418(3) 0.13622(18) 0.30938(19) 0.0277(7) Uani 1 1 d .
N1 N 0.1603(3) 0.2742(2) 0.4036(2) 0.0239(7) Uani 1 1 d .
N2 N 0.2153(3) 0.2380(2) 0.2500(2) 0.0275(8) Uani 1 1 d .
N3 N -0.0055(4) -0.0009(2) 0.2868(3) 0.0369(9) Uani 1 1 d .
C1 C -0.2109(4) 0.1898(3) 0.3011(3) 0.0304(10) Uani 1 1 d .
C2 C -0.2728(4) 0.1934(3) 0.2247(3) 0.0378(11) Uani 1 1 d .
H2 H -0.2659 0.2427 0.1991 0.045 Uiso 1 1 calc R
C3 C -0.3454(5) 0.1245(4) 0.1850(4) 0.0537(15) Uani 1 1 d .
H3 H -0.3881 0.1276 0.1333 0.064 Uiso 1 1 calc R
C4 C -0.3545(5) 0.0518(4) 0.2220(5) 0.0599(17) Uani 1 1 d .
H4 H -0.4037 0.0055 0.1952 0.072 Uiso 1 1 calc R
C5 C -0.2930(5) 0.0464(3) 0.2970(4) 0.0511(15) Uani 1 1 d .
H5 H -0.2991 -0.0035 0.3216 0.061 Uiso 1 1 calc R
C6 C -0.2207(4) 0.1157(3) 0.3368(3) 0.0365(11) Uani 1 1 d .
H6 H -0.1782 0.1122 0.3885 0.044 Uiso 1 1 calc R
C7 C -0.1876(4) 0.3700(3) 0.3560(3) 0.0307(10) Uani 1 1 d .
C8 C -0.3048(5) 0.3674(3) 0.3351(3) 0.0416(12) Uani 1 1 d .
H8 H -0.3466 0.3159 0.3134 0.050 Uiso 1 1 calc R
C9 C -0.3607(6) 0.4410(4) 0.3462(4) 0.0552(16) Uani 1 1 d .
H9 H -0.4401 0.4387 0.3313 0.066 Uiso 1 1 calc R
C10 C -0.3018(6) 0.5163(4) 0.3782(4) 0.0611(19) Uani 1 1 d .
H10 H -0.3402 0.5656 0.3847 0.073 Uiso 1 1 calc R
C11 C -0.1861(6) 0.5195(3) 0.4011(4) 0.0542(16) Uani 1 1 d .
H11 H -0.1457 0.5712 0.4240 0.065 Uiso 1 1 calc R
C12 C -0.1271(5) 0.4461(3) 0.3906(3) 0.0398(12) Uani 1 1 d .
H12 H -0.0480 0.4485 0.4068 0.048 Uiso 1 1 calc R
C13 C -0.0865(4) 0.2626(3) 0.4577(3) 0.0276(9) Uani 1 1 d .
C14 C -0.1836(4) 0.2586(3) 0.4971(3) 0.0342(10) Uani 1 1 d .
H14 H -0.2553 0.2619 0.4664 0.041 Uiso 1 1 calc R
C15 C -0.1771(4) 0.2499(3) 0.5805(3) 0.0377(11) Uani 1 1 d .
H15 H -0.2435 0.2474 0.6060 0.045 Uiso 1 1 calc R
C16 C -0.0723(5) 0.2450(3) 0.6256(3) 0.0372(11) Uani 1 1 d .
H16 H -0.0668 0.2394 0.6823 0.045 Uiso 1 1 calc R
C17 C 0.0250(4) 0.2484(3) 0.5878(3) 0.0344(10) Uani 1 1 d .
H17 H 0.0958 0.2443 0.6192 0.041 Uiso 1 1 calc R
C18 C 0.0207(4) 0.2580(3) 0.5036(3) 0.0279(9) Uani 1 1 d .
C19 C 0.1325(4) 0.2619(3) 0.4743(3) 0.0280(9) Uani 1 1 d .
H19 H 0.1938 0.2541 0.5141 0.034 Uiso 1 1 calc R
C20 C 0.2843(4) 0.2711(3) 0.3945(3) 0.0274(9) Uani 1 1 d .
H20 H 0.3124 0.3274 0.3826 0.033 Uiso 1 1 calc R
C21 C 0.3622(4) 0.2500(3) 0.4697(3) 0.0332(10) Uani 1 1 d .
H21A H 0.3332 0.1963 0.4856 0.040 Uiso 1 1 calc R
H21B H 0.3615 0.2940 0.5165 0.040 Uiso 1 1 calc R
C22 C 0.4849(4) 0.2434(4) 0.4512(3) 0.0406(12) Uani 1 1 d .
H22A H 0.5162 0.2981 0.4392 0.049 Uiso 1 1 calc R
H22B H 0.5324 0.2281 0.4997 0.049 Uiso 1 1 calc R
C23 C 0.4867(4) 0.1764(4) 0.3769(3) 0.0422(12) Uani 1 1 d .
H23A H 0.5651 0.1725 0.3652 0.051 Uiso 1 1 calc R
H23B H 0.4584 0.1213 0.3899 0.051 Uiso 1 1 calc R
C24 C 0.4131(4) 0.1986(3) 0.3013(3) 0.0379(11) Uani 1 1 d .
H24A H 0.4139 0.1545 0.2547 0.045 Uiso 1 1 calc R
H24B H 0.4447 0.2518 0.2861 0.045 Uiso 1 1 calc R
C25 C 0.2908(4) 0.2075(3) 0.3173(3) 0.0295(10) Uani 1 1 d .
H25 H 0.2576 0.1516 0.3268 0.035 Uiso 1 1 calc R
C26 C 0.2495(4) 0.2484(3) 0.1817(3) 0.0344(11) Uani 1 1 d .
H26 H 0.3182 0.2260 0.1714 0.041 Uiso 1 1 calc R
C27 C 0.1908(4) 0.2926(3) 0.1172(3) 0.0348(11) Uani 1 1 d .
C28 C 0.2103(5) 0.2692(3) 0.0355(3) 0.0440(13) Uani 1 1 d .
H28 H 0.2556 0.2246 0.0239 0.053 Uiso 1 1 calc R
C29 C 0.1640(6) 0.3107(4) -0.0279(3) 0.0518(15) Uani 1 1 d .
H29 H 0.1752 0.2932 -0.0827 0.062 Uiso 1 1 calc R
C30 C 0.1008(5) 0.3784(4) -0.0102(3) 0.0498(14) Uani 1 1 d .
H30 H 0.0705 0.4082 -0.0528 0.060 Uiso 1 1 calc R
C31 C 0.0823(5) 0.4022(3) 0.0705(3) 0.0411(12) Uani 1 1 d .
H31 H 0.0398 0.4487 0.0816 0.049 Uiso 1 1 calc R
C32 C 0.1241(4) 0.3599(3) 0.1353(3) 0.0314(10) Uani 1 1 d .
C33 C 0.2125(4) 0.4622(3) 0.2901(3) 0.0299(10) Uani 1 1 d .
C34 C 0.2924(5) 0.4958(3) 0.2454(4) 0.0428(12) Uani 1 1 d .
H34 H 0.2871 0.4789 0.1882 0.051 Uiso 1 1 calc R
C35 C 0.3808(5) 0.5546(4) 0.2855(4) 0.0512(14) Uani 1 1 d .
H35 H 0.4346 0.5770 0.2550 0.061 Uiso 1 1 calc R
C36 C 0.3891(5) 0.5795(3) 0.3683(4) 0.0476(14) Uani 1 1 d .
H36 H 0.4476 0.6198 0.3946 0.057 Uiso 1 1 calc R
C37 C 0.3123(5) 0.5458(3) 0.4133(4) 0.0476(13) Uani 1 1 d .
H37 H 0.3189 0.5627 0.4706 0.057 Uiso 1 1 calc R
C38 C 0.2245(5) 0.4868(3) 0.3750(3) 0.0388(11) Uani 1 1 d .
H38 H 0.1730 0.4634 0.4067 0.047 Uiso 1 1 calc R
C39 C -0.0226(4) 0.4581(3) 0.2212(3) 0.0302(10) Uani 1 1 d .
C40 C -0.0100(5) 0.5458(3) 0.2427(3) 0.0353(11) Uani 1 1 d .
H40 H 0.0606 0.5726 0.2685 0.042 Uiso 1 1 calc R
C41 C -0.1022(5) 0.5932(3) 0.2258(3) 0.0415(12) Uani 1 1 d .
H41 H -0.0942 0.6521 0.2405 0.050 Uiso 1 1 calc R
C42 C -0.2056(5) 0.5537(4) 0.1873(3) 0.0440(13) Uani 1 1 d .
H42 H -0.2680 0.5859 0.1765 0.053 Uiso 1 1 calc R
C43 C -0.2179(5) 0.4674(4) 0.1647(3) 0.0442(13) Uani 1 1 d .
H43 H -0.2881 0.4408 0.1379 0.053 Uiso 1 1 calc R
C44 C -0.1262(4) 0.4203(3) 0.1817(3) 0.0380(11) Uani 1 1 d .
H44 H -0.1346 0.3615 0.1661 0.046 Uiso 1 1 calc R
C45 C -0.1046(6) 0.1531(4) 0.0489(3) 0.0591(17) Uani 1 1 d .
H45A H -0.1117 0.2108 0.0375 0.089 Uiso 1 1 calc R
H45B H -0.1792 0.1224 0.0392 0.089 Uiso 1 1 calc R
H45C H -0.0556 0.1260 0.0127 0.089 Uiso 1 1 calc R
C46 C -0.0535(4) 0.1533(3) 0.1378(3) 0.0346(11) Uani 1 1 d .
C47 C -0.0421(5) 0.0776(3) 0.1704(3) 0.0368(11) Uani 1 1 d .
C48 C -0.0857(7) -0.0047(4) 0.1149(4) 0.067(2) Uani 1 1 d .
C49A C -0.0438(9) -0.0805(4) 0.1492(5) 0.066(3) Uani 0.88(2) 1 d P
C49B C -0.127(4) -0.067(2) 0.156(2) 0.030(12) Uani 0.12(2) 1 d PU
C50 C -0.0591(6) -0.0802(3) 0.2379(4) 0.0534(16) Uani 1 1 d .
C51 C -0.0002(4) 0.0742(3) 0.2563(3) 0.0284(9) Uani 1 1 d .
C52 C 0.0386(5) -0.0045(3) 0.3727(3) 0.0396(12) Uani 1 1 d .
H52A H -0.0058 -0.0494 0.3931 0.048 Uiso 1 1 calc R
H52B H 0.0279 0.0490 0.4053 0.048 Uiso 1 1 calc R
C53 C 0.1635(5) -0.0206(3) 0.3866(3) 0.0419(12) Uani 1 1 d .
C54 C 0.2232(5) -0.0471(4) 0.3234(4) 0.0551(15) Uani 1 1 d .
H54 H 0.1880 -0.0508 0.2683 0.066 Uiso 1 1 calc R
C55 C 0.3346(6) -0.0684(4) 0.3394(5) 0.0676(19) Uani 1 1 d .
H55 H 0.3735 -0.0880 0.2955 0.081 Uiso 1 1 calc R
C56 C 0.3876(6) -0.0609(5) 0.4196(6) 0.074(2) Uani 1 1 d .
H56 H 0.4634 -0.0743 0.4308 0.089 Uiso 1 1 calc R
C57 C 0.3312(6) -0.0345(5) 0.4816(5) 0.075(2) Uani 1 1 d .
H57 H 0.3674 -0.0302 0.5365 0.090 Uiso 1 1 calc R
C58 C 0.2200(6) -0.0131(5) 0.4666(4) 0.0646(18) Uani 1 1 d .
H58 H 0.1825 0.0067 0.5112 0.078 Uiso 1 1 calc R
Cl1 Cl 0.5267(4) 0.2827(5) 0.0588(5) 0.305(5) Uani 1 1 d .
Cl2 Cl 0.4525(6) 0.4371(6) 0.0754(5) 0.330(5) Uani 1 1 d .
C60 C 0.4836(13) 0.3616(11) 0.0031(10) 0.172(6) Uani 1 1 d .
H60A H 0.5446 0.3826 -0.0260 0.206 Uiso 1 1 calc R
H60B H 0.4164 0.3419 -0.0375 0.206 Uiso 1 1 calc R
C59A C 0.265(3) 0.690(2) 0.1553(17) 0.086(12) Uiso 0.42(7) 1 d PD
C59B C 0.2847(16) 0.7151(19) 0.129(2) 0.108(11) Uiso 0.47(7) 1 d PD
C59C C 0.201(10) 0.661(3) 0.159(2) 0.10(4) Uiso 0.12(4) 1 d PD
Cl3 Cl 0.1639(3) 0.7627(2) 0.15810(19) 0.1401(12) Uani 1 1 d D
Cl4 Cl 0.2338(3) 0.6214(2) 0.0617(2) 0.1361(11) Uani 1 1 d D
C62 C 0.3754(16) 0.0497(12) 0.0410(12) 0.099(6) Uiso 0.541(8) 1 d PD
Cl5 Cl 0.429(5) 0.112(3) -0.021(3) 0.89(4) Uiso 0.541(8) 1 d PD
Cl6 Cl 0.405(2) -0.0469(15) 0.0517(15) 0.83(2) Uiso 1 1 d D
C63 C 0.336(2) -0.019(2) 0.1326(18) 0.167(13) Uiso 0.459(8) 1 d PD
Cl7 Cl 0.2279(6) 0.0385(4) 0.1172(4) 0.120(3) Uiso 0.459(8) 1 d PD
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'
Ru Ru -1.2594 0.8363 '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'
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_3
O1 Ru1 N1 168.00(13) .
O1 Ru1 N2 92.09(14) .
N1 Ru1 N2 80.88(14) .
O1 Ru1 O2 87.73(12) .
N1 Ru1 O2 82.18(13) .
N2 Ru1 O2 86.57(13) .
O1 Ru1 P2 83.13(9) .
N1 Ru1 P2 105.57(10) .
N2 Ru1 P2 83.73(11) .
O2 Ru1 P2 166.40(9) .
O1 Ru1 P1 91.90(10) .
N1 Ru1 P1 93.85(10) .
N2 Ru1 P1 171.39(11) .
O2 Ru1 P1 85.96(9) .
P2 Ru1 P1 104.33(4) .
C1 P1 C13 103.0(2) .
C1 P1 C7 104.3(2) .
C13 P1 C7 97.3(2) .
C1 P1 Ru1 109.93(15) .
C13 P1 Ru1 112.18(15) .
C7 P1 Ru1 127.16(15) .
C33 P2 C39 103.8(2) .
C33 P2 C32 103.8(2) .
C39 P2 C32 100.2(2) .
C33 P2 Ru1 119.87(15) .
C39 P2 Ru1 121.43(15) .
C32 P2 Ru1 104.58(15) .
F5 P3 F6 92.8(4) .
F5 P3 F1 90.9(4) .
F6 P3 F1 176.2(4) .
F5 P3 F3 176.9(4) .
F6 P3 F3 88.3(3) .
F1 P3 F3 87.9(3) .
F5 P3 F2 93.6(4) .
F6 P3 F2 89.1(3) .
F1 P3 F2 91.6(3) .
F3 P3 F2 89.4(3) .
F5 P3 F4 88.7(4) .
F6 P3 F4 89.6(3) .
F1 P3 F4 89.6(4) .
F3 P3 F4 88.3(3) .
F2 P3 F4 177.4(3) .
C46 O1 Ru1 126.8(3) .
C51 O2 Ru1 127.0(3) .
C19 N1 C20 116.4(4) .
C19 N1 Ru1 129.2(3) .
C20 N1 Ru1 111.9(3) .
C26 N2 C25 121.1(4) .
C26 N2 Ru1 129.4(3) .
C25 N2 Ru1 109.5(3) .
C51 N3 C52 119.4(4) .
C51 N3 C50 123.4(4) .
C52 N3 C50 117.1(4) .
C2 C1 C6 118.7(5) .
C2 C1 P1 119.9(4) .
C6 C1 P1 120.9(4) .
C1 C2 C3 120.5(5) .
C1 C2 H2 119.7 .
C3 C2 H2 119.7 .
C4 C3 C2 119.8(6) .
C4 C3 H3 120.1 .
C2 C3 H3 120.1 .
C5 C4 C3 120.7(5) .
C5 C4 H4 119.6 .
C3 C4 H4 119.6 .
C4 C5 C6 119.4(5) .
C4 C5 H5 120.3 .
C6 C5 H5 120.3 .
C1 C6 C5 120.8(5) .
C1 C6 H6 119.6 .
C5 C6 H6 119.6 .
C8 C7 C12 119.3(5) .
C8 C7 P1 124.1(4) .
C12 C7 P1 116.4(4) .
C7 C8 C9 120.2(6) .
C7 C8 H8 119.9 .
C9 C8 H8 119.9 .
C10 C9 C8 120.9(6) .
C10 C9 H9 119.6 .
C8 C9 H9 119.6 .
C9 C10 C11 119.7(5) .
C9 C10 H10 120.2 .
C11 C10 H10 120.2 .
C10 C11 C12 120.8(6) .
C10 C11 H11 119.6 .
C12 C11 H11 119.6 .
C7 C12 C11 119.1(5) .
C7 C12 H12 120.4 .
C11 C12 H12 120.4 .
C14 C13 C18 119.3(4) .
C14 C13 P1 117.8(4) .
C18 C13 P1 122.9(3) .
C15 C14 C13 121.6(5) .
C15 C14 H14 119.2 .
C13 C14 H14 119.2 .
C16 C15 C14 119.3(5) .
C16 C15 H15 120.4 .
C14 C15 H15 120.4 .
C15 C16 C17 120.1(5) .
C15 C16 H16 120.0 .
C17 C16 H16 120.0 .
C16 C17 C18 121.7(5) .
C16 C17 H17 119.1 .
C18 C17 H17 119.1 .
C17 C18 C13 118.0(4) .
C17 C18 C19 114.2(4) .
C13 C18 C19 127.8(4) .
N1 C19 C18 130.8(4) .
N1 C19 H19 114.6 .
C18 C19 H19 114.6 .
N1 C20 C21 116.2(4) .
N1 C20 C25 106.9(3) .
C21 C20 C25 111.1(4) .
N1 C20 H20 107.4 .
C21 C20 H20 107.4 .
C25 C20 H20 107.4 .
C20 C21 C22 111.3(4) .
C20 C21 H21A 109.4 .
C22 C21 H21A 109.4 .
C20 C21 H21B 109.4 .
C22 C21 H21B 109.4 .
H21A C21 H21B 108.0 .
C23 C22 C21 109.8(4) .
C23 C22 H22A 109.7 .
C21 C22 H22A 109.7 .
C23 C22 H22B 109.7 .
C21 C22 H22B 109.7 .
H22A C22 H22B 108.2 .
C24 C23 C22 110.5(4) .
C24 C23 H23A 109.5 .
C22 C23 H23A 109.5 .
C24 C23 H23B 109.5 .
C22 C23 H23B 109.5 .
H23A C23 H23B 108.1 .
C23 C24 C25 111.4(4) .
C23 C24 H24A 109.3 .
C25 C24 H24A 109.3 .
C23 C24 H24B 109.3 .
C25 C24 H24B 109.3 .
H24A C24 H24B 108.0 .
N2 C25 C24 115.3(4) .
N2 C25 C20 104.6(3) .
C24 C25 C20 111.9(4) .
N2 C25 H25 108.2 .
C24 C25 H25 108.2 .
C20 C25 H25 108.2 .
N2 C26 C27 125.5(4) .
N2 C26 H26 117.3 .
C27 C26 H26 117.3 .
C28 C27 C32 119.9(5) .
C28 C27 C26 117.3(5) .
C32 C27 C26 122.7(4) .
C29 C28 C27 121.0(5) .
C29 C28 H28 119.5 .
C27 C28 H28 119.5 .
C28 C29 C30 119.3(5) .
C28 C29 H29 120.3 .
C30 C29 H29 120.3 .
C31 C30 C29 119.8(5) .
C31 C30 H30 120.1 .
C29 C30 H30 120.1 .
C30 C31 C32 122.4(5) .
C30 C31 H31 118.8 .
C32 C31 H31 118.8 .
C31 C32 C27 117.5(4) .
C31 C32 P2 121.6(4) .
C27 C32 P2 120.9(4) .
C34 C33 C38 118.4(5) .
C34 C33 P2 122.8(4) .
C38 C33 P2 118.8(4) .
C33 C34 C35 120.2(5) .
C33 C34 H34 119.9 .
C35 C34 H34 119.9 .
C36 C35 C34 120.4(5) .
C36 C35 H35 119.8 .
C34 C35 H35 119.8 .
C35 C36 C37 120.1(5) .
C35 C36 H36 120.0 .
C37 C36 H36 120.0 .
C36 C37 C38 120.6(5) .
C36 C37 H37 119.7 .
C38 C37 H37 119.7 .
C33 C38 C37 120.3(5) .
C33 C38 H38 119.8 .
C37 C38 H38 119.8 .
C44 C39 C40 119.2(5) .
C44 C39 P2 117.3(4) .
C40 C39 P2 123.5(4) .
C41 C40 C39 119.8(5) .
C41 C40 H40 120.1 .
C39 C40 H40 120.1 .
C42 C41 C40 120.0(5) .
C42 C41 H41 120.0 .
C40 C41 H41 120.0 .
C43 C42 C41 120.4(5) .
C43 C42 H42 119.8 .
C41 C42 H42 119.8 .
C42 C43 C44 119.6(5) .
C42 C43 H43 120.2 .
C44 C43 H43 120.2 .
C39 C44 C43 121.1(5) .
C39 C44 H44 119.5 .
C43 C44 H44 119.5 .
C46 C45 H45A 109.5 .
C46 C45 H45B 109.5 .
H45A C45 H45B 109.5 .
C46 C45 H45C 109.5 .
H45A C45 H45C 109.5 .
H45B C45 H45C 109.5 .
O1 C46 C47 128.4(4) .
O1 C46 C45 111.4(4) .
C47 C46 C45 120.1(4) .
C46 C47 C51 122.4(4) .
C46 C47 C48 118.5(5) .
C51 C47 C48 118.8(5) .
C49B C48 C49A 42.4(18) .
C49B C48 C47 114.2(17) .
C49A C48 C47 112.9(5) .
C49B C49A C48 63(2) .
C49B C49A C50 71(2) .
C48 C49A C50 112.3(6) .
C49A C49B C48 75(2) .
C49A C49B C50 68(2) .
C48 C49B C50 118(3) .
N3 C50 C49A 110.1(5) .
N3 C50 C49B 113.3(15) .
C49A C50 C49B 40.4(15) .
O2 C51 N3 114.1(4) .
O2 C51 C47 126.4(4) .
N3 C51 C47 119.5(4) .
N3 C52 C53 113.8(4) .
N3 C52 H52A 108.8 .
C53 C52 H52A 108.8 .
N3 C52 H52B 108.8 .
C53 C52 H52B 108.8 .
H52A C52 H52B 107.7 .
C54 C53 C58 117.4(6) .
C54 C53 C52 123.1(5) .
C58 C53 C52 119.4(6) .
C53 C54 C55 121.2(6) .
C53 C54 H54 119.4 .
C55 C54 H54 119.4 .
C56 C55 C54 119.7(7) .
C56 C55 H55 120.2 .
C54 C55 H55 120.2 .
C57 C56 C55 119.8(7) .
C57 C56 H56 120.1 .
C55 C56 H56 120.1 .
C56 C57 C58 121.1(7) .
C56 C57 H57 119.4 .
C58 C57 H57 119.4 .
C53 C58 C57 120.7(7) .
C53 C58 H58 119.6 .
C57 C58 H58 119.6 .
Cl2 C60 Cl1 103.7(10) .
Cl2 C60 H60A 111.0 .
Cl1 C60 H60A 111.0 .
Cl2 C60 H60B 111.0 .
Cl1 C60 H60B 111.0 .
H60A C60 H60B 109.0 .
C59B C59A C59C 137(5) .
C59B C59A Cl3 82(2) .
C59C C59A Cl3 75(2) .
C59B C59A Cl4 80(2) .
C59C C59A Cl4 74(2) .
Cl3 C59A Cl4 108.7(10) .
C59A C59B C59C 25(3) .
C59A C59B Cl3 76(2) .
C59C C59B Cl3 63.9(18) .
C59A C59B Cl4 78(2) .
C59C C59B Cl4 64.7(18) .
Cl3 C59B Cl4 106.7(10) .
C59A C59C C59B 18.6(18) .
C59A C59C Cl3 76(3) .
C59B C59C Cl3 67(2) .
C59A C59C Cl4 77(3) .
C59B C59C Cl4 67(2) .
Cl3 C59C Cl4 109.9(14) .
C59C Cl3 C59A 30(3) .
C59C Cl3 C59B 49(3) .
C59A Cl3 C59B 22.3(12) .
C59C Cl4 C59A 29(3) .
C59C Cl4 C59B 49(3) .
C59A Cl4 C59B 22.0(12) .
Cl6 C62 Cl5 127(2) .
C62 Cl5 Cl6 103(3) 2_655
C62 Cl6 C63 76.1(17) .
C62 Cl6 Cl5 127.3(17) 2_655
C63 Cl6 Cl5 141(2) 2_655
Cl7 C63 Cl6 118(2) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 O1 2.045(3) .
Ru1 N1 2.055(4) .
Ru1 N2 2.098(4) .
Ru1 O2 2.103(3) .
Ru1 P2 2.2785(12) .
Ru1 P1 2.2855(12) .
P1 C1 1.833(5) .
P1 C13 1.835(5) .
P1 C7 1.841(5) .
P2 C33 1.818(5) .
P2 C39 1.828(5) .
P2 C32 1.854(5) .
P3 F5 1.550(5) .
P3 F6 1.572(5) .
P3 F1 1.582(5) .
P3 F3 1.582(5) .
P3 F2 1.588(5) .
P3 F4 1.597(5) .
O1 C46 1.291(5) .
O2 C51 1.269(5) .
N1 C19 1.281(6) .
N1 C20 1.504(5) .
N2 C26 1.267(6) .
N2 C25 1.481(6) .
N3 C51 1.357(6) .
N3 C52 1.450(7) .
N3 C50 1.476(6) .
C1 C2 1.380(7) .
C1 C6 1.388(7) .
C2 C3 1.394(7) .
C2 H2 0.9400 .
C3 C4 1.379(10) .
C3 H3 0.9400 .
C4 C5 1.364(10) .
C4 H4 0.9400 .
C5 C6 1.398(7) .
C5 H5 0.9400 .
C6 H6 0.9400 .
C7 C8 1.386(7) .
C7 C12 1.392(7) .
C8 C9 1.396(7) .
C8 H8 0.9400 .
C9 C10 1.363(10) .
C9 H9 0.9400 .
C10 C11 1.374(10) .
C10 H10 0.9400 .
C11 C12 1.413(8) .
C11 H11 0.9400 .
C12 H12 0.9400 .
C13 C14 1.396(6) .
C13 C18 1.405(7) .
C14 C15 1.386(7) .
C14 H14 0.9400 .
C15 C16 1.377(8) .
C15 H15 0.9400 .
C16 C17 1.382(7) .
C16 H16 0.9400 .
C17 C18 1.404(6) .
C17 H17 0.9400 .
C18 C19 1.470(6) .
C19 H19 0.9400 .
C20 C21 1.531(6) .
C20 C25 1.542(6) .
C20 H20 0.9900 .
C21 C22 1.536(6) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C22 C23 1.529(8) .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C23 C24 1.517(7) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C24 C25 1.522(6) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C25 H25 0.9900 .
C26 C27 1.471(7) .
C26 H26 0.9400 .
C27 C28 1.402(7) .
C27 C32 1.407(7) .
C28 C29 1.377(8) .
C28 H28 0.9400 .
C29 C30 1.383(8) .
C29 H29 0.9400 .
C30 C31 1.383(7) .
C30 H30 0.9400 .
C31 C32 1.384(7) .
C31 H31 0.9400 .
C33 C34 1.390(7) .
C33 C38 1.390(7) .
C34 C35 1.403(8) .
C34 H34 0.9400 .
C35 C36 1.359(9) .
C35 H35 0.9400 .
C36 C37 1.369(8) .
C36 H36 0.9400 .
C37 C38 1.391(7) .
C37 H37 0.9400 .
C38 H38 0.9400 .
C39 C44 1.380(7) .
C39 C40 1.399(7) .
C40 C41 1.391(7) .
C40 H40 0.9400 .
C41 C42 1.382(8) .
C41 H41 0.9400 .
C42 C43 1.381(8) .
C42 H42 0.9400 .
C43 C44 1.384(7) .
C43 H43 0.9400 .
C44 H44 0.9400 .
C45 C46 1.507(7) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C45 H45C 0.9700 .
C46 C47 1.389(7) .
C47 C51 1.443(7) .
C47 C48 1.528(7) .
C48 C49B 1.37(4) .
C48 C49A 1.486(10) .
C49A C49B 1.04(4) .
C49A C50 1.490(11) .
C49B C50 1.52(4) .
C52 C53 1.516(8) .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C53 C54 1.373(8) .
C53 C58 1.384(8) .
C54 C55 1.389(9) .
C54 H54 0.9400 .
C55 C56 1.374(11) .
C55 H55 0.9400 .
C56 C57 1.333(11) .
C56 H56 0.9400 .
C57 C58 1.385(10) .
C57 H57 0.9400 .
C58 H58 0.9400 .
Cl1 C60 1.714(17) .
Cl2 C60 1.685(16) .
C60 H60A 0.9800 .
C60 H60B 0.9800 .
C59A C59B 0.67(4) .
C59A C59C 0.88(10) .
C59A Cl3 1.727(16) .
C59A Cl4 1.765(16) .
C59B C59C 1.45(10) .
C59B Cl3 1.764(16) .
C59B Cl4 1.772(16) .
C59C Cl3 1.72(2) .
C59C Cl4 1.74(2) .
C62 Cl6 1.635(17) .
C62 Cl5 1.655(19) .
Cl5 Cl6 2.38(5) 2_655
Cl6 C63 1.685(18) .
Cl6 Cl5 2.38(5) 2_655
C63 Cl7 1.636(18) .
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_4
O1 Ru1 P1 C1 40.98(19) . .
N1 Ru1 P1 C1 -128.48(19) . .
N2 Ru1 P1 C1 -76.6(7) . .
O2 Ru1 P1 C1 -46.61(19) . .
P2 Ru1 P1 C1 124.37(17) . .
O1 Ru1 P1 C13 154.91(18) . .
N1 Ru1 P1 C13 -14.54(18) . .
N2 Ru1 P1 C13 37.4(7) . .
O2 Ru1 P1 C13 67.32(17) . .
P2 Ru1 P1 C13 -121.69(16) . .
O1 Ru1 P1 C7 -86.3(2) . .
N1 Ru1 P1 C7 104.3(2) . .
N2 Ru1 P1 C7 156.2(7) . .
O2 Ru1 P1 C7 -173.8(2) . .
P2 Ru1 P1 C7 -2.9(2) . .
O1 Ru1 P2 C33 -157.8(2) . .
N1 Ru1 P2 C33 13.7(2) . .
N2 Ru1 P2 C33 -64.9(2) . .
O2 Ru1 P2 C33 -109.7(4) . .
P1 Ru1 P2 C33 111.97(18) . .
O1 Ru1 P2 C39 69.8(2) . .
N1 Ru1 P2 C39 -118.6(2) . .
N2 Ru1 P2 C39 162.7(2) . .
O2 Ru1 P2 C39 117.9(4) . .
P1 Ru1 P2 C39 -20.41(19) . .
O1 Ru1 P2 C32 -42.09(19) . .
N1 Ru1 P2 C32 129.48(19) . .
N2 Ru1 P2 C32 50.79(19) . .
O2 Ru1 P2 C32 6.0(4) . .
P1 Ru1 P2 C32 -132.30(16) . .
N1 Ru1 O1 C46 21.6(9) . .
N2 Ru1 O1 C46 75.3(4) . .
O2 Ru1 O1 C46 -11.2(4) . .
P2 Ru1 O1 C46 158.8(4) . .
P1 Ru1 O1 C46 -97.0(4) . .
O1 Ru1 O2 C51 5.7(4) . .
N1 Ru1 O2 C51 -167.8(4) . .
N2 Ru1 O2 C51 -86.5(4) . .
P2 Ru1 O2 C51 -42.0(6) . .
P1 Ru1 O2 C51 97.8(3) . .
O1 Ru1 N1 C19 -97.9(7) . .
N2 Ru1 N1 C19 -152.6(4) . .
O2 Ru1 N1 C19 -64.8(4) . .
P2 Ru1 N1 C19 126.6(4) . .
P1 Ru1 N1 C19 20.5(4) . .
O1 Ru1 N1 C20 63.0(7) . .
N2 Ru1 N1 C20 8.3(3) . .
O2 Ru1 N1 C20 96.1(3) . .
P2 Ru1 N1 C20 -72.5(3) . .
P1 Ru1 N1 C20 -178.5(3) . .
O1 Ru1 N2 C26 36.0(4) . .
N1 Ru1 N2 C26 -153.8(4) . .
O2 Ru1 N2 C26 123.6(4) . .
P2 Ru1 N2 C26 -46.9(4) . .
P1 Ru1 N2 C26 153.5(6) . .
O1 Ru1 N2 C25 -147.3(3) . .
N1 Ru1 N2 C25 22.9(3) . .
O2 Ru1 N2 C25 -59.7(3) . .
P2 Ru1 N2 C25 129.8(3) . .
P1 Ru1 N2 C25 -29.8(9) . .
C13 P1 C1 C2 160.2(4) . .
C7 P1 C1 C2 59.0(4) . .
Ru1 P1 C1 C2 -80.1(4) . .
C13 P1 C1 C6 -27.4(4) . .
C7 P1 C1 C6 -128.6(4) . .
Ru1 P1 C1 C6 92.3(4) . .
C6 C1 C2 C3 1.3(7) . .
P1 C1 C2 C3 173.9(4) . .
C1 C2 C3 C4 -0.8(8) . .
C2 C3 C4 C5 -0.1(10) . .
C3 C4 C5 C6 0.5(9) . .
C2 C1 C6 C5 -0.9(7) . .
P1 C1 C6 C5 -173.4(4) . .
C4 C5 C6 C1 0.0(8) . .
C1 P1 C7 C8 3.7(5) . .
C13 P1 C7 C8 -101.8(4) . .
Ru1 P1 C7 C8 133.1(4) . .
C1 P1 C7 C12 179.5(4) . .
C13 P1 C7 C12 74.1(4) . .
Ru1 P1 C7 C12 -51.1(4) . .
C12 C7 C8 C9 2.1(8) . .
P1 C7 C8 C9 177.8(4) . .
C7 C8 C9 C10 -0.6(9) . .
C8 C9 C10 C11 -1.0(9) . .
C9 C10 C11 C12 1.0(9) . .
C8 C7 C12 C11 -2.1(7) . .
P1 C7 C12 C11 -178.1(4) . .
C10 C11 C12 C7 0.6(8) . .
C1 P1 C13 C14 -54.2(4) . .
C7 P1 C13 C14 52.4(4) . .
Ru1 P1 C13 C14 -172.4(3) . .
C1 P1 C13 C18 127.5(4) . .
C7 P1 C13 C18 -125.9(4) . .
Ru1 P1 C13 C18 9.3(4) . .
C18 C13 C14 C15 -0.2(7) . .
P1 C13 C14 C15 -178.6(4) . .
C13 C14 C15 C16 -0.1(8) . .
C14 C15 C16 C17 -0.3(8) . .
C15 C16 C17 C18 0.9(8) . .
C16 C17 C18 C13 -1.1(7) . .
C16 C17 C18 C19 178.9(4) . .
C14 C13 C18 C17 0.8(6) . .
P1 C13 C18 C17 179.1(3) . .
C14 C13 C18 C19 -179.3(4) . .
P1 C13 C18 C19 -1.0(7) . .
C20 N1 C19 C18 -177.8(4) . .
Ru1 N1 C19 C18 -17.6(7) . .
C17 C18 C19 N1 -176.2(5) . .
C13 C18 C19 N1 3.8(8) . .
C19 N1 C20 C21 2.3(6) . .
Ru1 N1 C20 C21 -161.2(3) . .
C19 N1 C20 C25 127.0(4) . .
Ru1 N1 C20 C25 -36.6(4) . .
N1 C20 C21 C22 176.6(4) . .
C25 C20 C21 C22 54.1(5) . .
C20 C21 C22 C23 -57.6(6) . .
C21 C22 C23 C24 59.1(6) . .
C22 C23 C24 C25 -57.8(6) . .
C26 N2 C25 C24 5.8(6) . .
Ru1 N2 C25 C24 -171.2(3) . .
C26 N2 C25 C20 129.2(4) . .
Ru1 N2 C25 C20 -47.8(4) . .
C23 C24 C25 N2 173.8(4) . .
C23 C24 C25 C20 54.4(6) . .
N1 C20 C25 N2 54.4(4) . .
C21 C20 C25 N2 -177.9(3) . .
N1 C20 C25 C24 179.9(4) . .
C21 C20 C25 C24 -52.4(5) . .
C25 N2 C26 C27 -168.0(5) . .
Ru1 N2 C26 C27 8.4(7) . .
N2 C26 C27 C28 -153.7(5) . .
N2 C26 C27 C32 30.9(8) . .
C32 C27 C28 C29 -0.7(8) . .
C26 C27 C28 C29 -176.2(5) . .
C27 C28 C29 C30 2.4(9) . .
C28 C29 C30 C31 -1.7(10) . .
C29 C30 C31 C32 -0.6(9) . .
C30 C31 C32 C27 2.3(8) . .
C30 C31 C32 P2 -176.8(5) . .
C28 C27 C32 C31 -1.6(7) . .
C26 C27 C32 C31 173.7(5) . .
C28 C27 C32 P2 177.5(4) . .
C26 C27 C32 P2 -7.2(7) . .
C33 P2 C32 C31 -94.1(5) . .
C39 P2 C32 C31 13.0(5) . .
Ru1 P2 C32 C31 139.5(4) . .
C33 P2 C32 C27 86.8(4) . .
C39 P2 C32 C27 -166.1(4) . .
Ru1 P2 C32 C27 -39.6(4) . .
C39 P2 C33 C34 -93.2(4) . .
C32 P2 C33 C34 11.2(5) . .
Ru1 P2 C33 C34 127.3(4) . .
C39 P2 C33 C38 85.5(4) . .
C32 P2 C33 C38 -170.1(4) . .
Ru1 P2 C33 C38 -54.0(4) . .
C38 C33 C34 C35 -1.6(8) . .
P2 C33 C34 C35 177.1(4) . .
C33 C34 C35 C36 -0.1(9) . .
C34 C35 C36 C37 1.3(9) . .
C35 C36 C37 C38 -0.7(9) . .
C34 C33 C38 C37 2.2(8) . .
P2 C33 C38 C37 -176.6(4) . .
C36 C37 C38 C33 -1.0(9) . .
C33 P2 C39 C44 178.1(4) . .
C32 P2 C39 C44 71.0(4) . .
Ru1 P2 C39 C44 -43.2(4) . .
C33 P2 C39 C40 -1.4(4) . .
C32 P2 C39 C40 -108.5(4) . .
Ru1 P2 C39 C40 137.3(3) . .
C44 C39 C40 C41 1.5(7) . .
P2 C39 C40 C41 -179.1(4) . .
C39 C40 C41 C42 -0.5(7) . .
C40 C41 C42 C43 -0.7(8) . .
C41 C42 C43 C44 0.8(8) . .
C40 C39 C44 C43 -1.4(7) . .
P2 C39 C44 C43 179.1(4) . .
C42 C43 C44 C39 0.3(8) . .
Ru1 O1 C46 C47 9.6(8) . .
Ru1 O1 C46 C45 -172.3(4) . .
O1 C46 C47 C51 1.8(9) . .
C45 C46 C47 C51 -176.2(5) . .
O1 C46 C47 C48 176.0(6) . .
C45 C46 C47 C48 -2.0(9) . .
C46 C47 C48 C49B -148(2) . .
C51 C47 C48 C49B 27(2) . .
C46 C47 C48 C49A 166.0(7) . .
C51 C47 C48 C49A -19.6(9) . .
C47 C48 C49A C49B 101(2) . .
C49B C48 C49A C50 -53(2) . .
C47 C48 C49A C50 48.6(10) . .
C50 C49A C49B C48 128.8(17) . .
C48 C49A C49B C50 -128.8(17) . .
C47 C48 C49B C49A -98(2) . .
C49A C48 C49B C50 55(2) . .
C47 C48 C49B C50 -43(4) . .
C51 N3 C50 C49A 32.8(8) . .
C52 N3 C50 C49A -150.1(6) . .
C51 N3 C50 C49B -10.7(19) . .
C52 N3 C50 C49B 166.5(18) . .
C49B C49A C50 N3 -103(2) . .
C48 C49A C50 N3 -54.3(9) . .
C48 C49A C50 C49B 48(2) . .
C49A C49B C50 N3 94(2) . .
C48 C49B C50 N3 36(4) . .
C48 C49B C50 C49A -58(3) . .
Ru1 O2 C51 N3 -177.2(3) . .
Ru1 O2 C51 C47 2.1(7) . .
C52 N3 C51 O2 -1.9(6) . .
C50 N3 C51 O2 175.2(5) . .
C52 N3 C51 C47 178.8(4) . .
C50 N3 C51 C47 -4.1(7) . .
C46 C47 C51 O2 -8.1(8) . .
C48 C47 C51 O2 177.7(5) . .
C46 C47 C51 N3 171.1(5) . .
C48 C47 C51 N3 -3.1(8) . .
C51 N3 C52 C53 -89.8(5) . .
C50 N3 C52 C53 92.9(6) . .
N3 C52 C53 C54 -13.2(7) . .
N3 C52 C53 C58 170.5(5) . .
C58 C53 C54 C55 2.3(9) . .
C52 C53 C54 C55 -174.1(6) . .
C53 C54 C55 C56 -1.8(10) . .
C54 C55 C56 C57 1.1(11) . .
C55 C56 C57 C58 -1.0(12) . .
C54 C53 C58 C57 -2.2(9) . .
C52 C53 C58 C57 174.4(6) . .
C56 C57 C58 C53 1.6(12) . .
Cl3 C59A C59B C59C -58(4) . .
Cl4 C59A C59B C59C 53(4) . .
C59C C59A C59B Cl3 58(4) . .
Cl4 C59A C59B Cl3 110.8(7) . .
C59C C59A C59B Cl4 -53(4) . .
Cl3 C59A C59B Cl4 -110.8(7) . .
Cl3 C59A C59C C59B 60(4) . .
Cl4 C59A C59C C59B -55(4) . .
C59B C59A C59C Cl3 -60(4) . .
Cl4 C59A C59C Cl3 -114.9(16) . .
C59B C59A C59C Cl4 55(4) . .
Cl3 C59A C59C Cl4 114.9(16) . .
Cl3 C59B C59C C59A -114(4) . .
Cl4 C59B C59C C59A 120(4) . .
C59A C59B C59C Cl3 114(4) . .
Cl4 C59B C59C Cl3 -126(3) . .
C59A C59B C59C Cl4 -120(4) . .
Cl3 C59B C59C Cl4 126(3) . .
C59B C59C Cl3 C59A -17.5(18) . .
Cl4 C59C Cl3 C59A -70(4) . .
C59A C59C Cl3 C59B 17.5(18) . .
Cl4 C59C Cl3 C59B -52(4) . .
C59B C59A Cl3 C59C 143(4) . .
Cl4 C59A Cl3 C59C 67(3) . .
C59C C59A Cl3 C59B -143(4) . .
Cl4 C59A Cl3 C59B -76(2) . .
C59A C59B Cl3 C59C -23(3) . .
Cl4 C59B Cl3 C59C 50(3) . .
C59C C59B Cl3 C59A 23(3) . .
Cl4 C59B Cl3 C59A 73(2) . .
C59B C59C Cl4 C59A 16.5(18) . .
Cl3 C59C Cl4 C59A 69(3) . .
C59A C59C Cl4 C59B -16.5(18) . .
Cl3 C59C Cl4 C59B 53(4) . .
C59B C59A Cl4 C59C -145(4) . .
Cl3 C59A Cl4 C59C -68(3) . .
C59C C59A Cl4 C59B 145(4) . .
Cl3 C59A Cl4 C59B 78(2) . .
C59A C59B Cl4 C59C 22(3) . .
Cl3 C59B Cl4 C59C -49(3) . .
C59C C59B Cl4 C59A -22(3) . .
Cl3 C59B Cl4 C59A -71(2) . .
Cl6 C62 Cl5 Cl6 -18(4) . 2_655
Cl5 C62 Cl6 C63 167(3) . .
Cl5 C62 Cl6 Cl5 22(5) . 2_655
C62 Cl6 C63 Cl7 39(2) . .
Cl5 Cl6 C63 Cl7 172(2) 2_655 .
