# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Complex
_database_code_depnum_ccdc_archive 'CCDC 1453888'
_audit_update_record             
;
2016-02-16 deposited with the CCDC.
2016-06-13 downloaded from the CCDC.
;
_audit_creation_date             2016-01-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C54 H43 Cl N3 O P2 Ru, F6 P, 2(C H2 Cl2)'
_chemical_formula_sum            'C56 H47 Cl5 F6 N3 O P3 Ru'
_chemical_formula_weight         1263.19
_chemical_melting_point          ?
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.925(5)
_cell_length_b                   14.713(5)
_cell_length_c                   15.876(5)
_cell_angle_alpha                101.331(5)
_cell_angle_beta                 91.090(5)
_cell_angle_gamma                100.225(5)
_cell_volume                     2683.6(17)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3706
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.12
_cell_measurement_theta_min      2.45
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.696
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6670
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.0627 before and 0.0381 after correction.
The Ratio of minimum to maximum transmission is 0.8951.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.563
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_unetI/netI     0.0625
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13852
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.023
_diffrn_reflns_theta_max         25.023
_diffrn_reflns_theta_min         4.079
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6969
_reflns_number_total             9255
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v6.45A (Bruker, 2003)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v6.45A (Bruker, 2003)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         2.153
_refine_diff_density_min         -1.602
_refine_diff_density_rms         0.222
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     677
_refine_ls_number_reflns         9255
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0949
_refine_ls_R_factor_gt           0.0706
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1509P)²+5.5840P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1911
_refine_ls_wR_factor_ref         0.2370
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C84(H84A,H84B), C85(H85A,H85B)
2.b Aromatic/amide H refined with riding coordinates:
 C20(H20), C54(H54), C23(H23), C29(H29), C15(H15), C45(H45), C49(H49),
 C33(H33), C6(H6), C53(H53), C5(H5), C32(H32), C39(H39), C44(H44), C35(H35),
 C28(H28), C34(H34), C22(H22), C3(H3), C11(H11), C40(H40), C14(H14), C2(H2),
 C31(H31), C16(H16), C25(H25), C52(H52), C27(H27), C12(H12), C9(H9), C18(H18),
 C8(H8), C26(H26), C4(H4), C17(H17), C21(H21), C24(H24), C48(H48), C41(H41),
 C10(H10)
2.c Idealised Me refined as rotating group:
 C37(H37A,H37B,H37C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.99983(4) 0.28036(3) 0.30943(3) 0.01711(19) Uani 1 1 d . . . . .
Cl5 Cl 1.00797(12) 0.45076(10) 0.35385(9) 0.0203(3) Uani 1 1 d . . . . .
P2 P 1.19685(12) 0.30481(10) 0.35623(10) 0.0171(3) Uani 1 1 d . . . . .
P1 P 0.80584(12) 0.26852(10) 0.25860(9) 0.0175(3) Uani 1 1 d . . . . .
P3 P 0.86955(18) 0.25423(14) 0.85971(12) 0.0388(5) Uani 1 1 d . . . . .
Cl1 Cl 0.4165(2) 0.27491(18) 0.99902(16) 0.0638(6) Uani 1 1 d . . . . .
Cl2 Cl 0.5644(3) 0.4136(3) 0.9235(2) 0.0908(10) Uani 1 1 d . . . . .
Cl3 Cl 0.4694(3) 0.1931(3) 0.7570(2) 0.1140(14) Uani 1 1 d . . . . .
F5 F 0.9005(4) 0.1814(3) 0.9150(3) 0.0464(11) Uani 1 1 d . . . . .
O1 O 1.0904(4) 0.3777(3) 0.1458(3) 0.0278(10) Uani 1 1 d . . . . .
Cl4 Cl 0.5382(6) 0.0712(2) 0.6027(3) 0.161(2) Uani 1 1 d . . . . .
F2 F 0.8372(6) 0.3246(4) 0.8023(3) 0.0730(17) Uani 1 1 d . . . . .
N1 N 0.9453(4) 0.2649(4) 0.4318(3) 0.0216(11) Uani 1 1 d . . . . .
N3 N 1.0509(4) 0.2341(4) 0.1790(3) 0.0234(11) Uani 1 1 d . . . . .
F3 F 0.8691(6) 0.1767(4) 0.7757(3) 0.0771(19) Uani 1 1 d . . . . .
C20 C 1.2717(5) 0.2443(4) 0.5064(4) 0.0210(13) Uani 1 1 d . . . . .
H20 H 1.2978 0.1943 0.4694 0.025 Uiso 1 1 calc R . . . .
C54 C 0.9302(5) 0.3284(5) 0.5027(4) 0.0227(13) Uani 1 1 d . . . . .
H54 H 0.9457 0.3934 0.5003 0.027 Uiso 1 1 calc R . . . .
C13 C 0.7530(5) 0.1633(4) 0.1749(4) 0.0231(13) Uani 1 1 d . . . . .
C1 C 0.7049(5) 0.2643(4) 0.3445(4) 0.0201(13) Uani 1 1 d . . . . .
C19 C 1.2231(5) 0.3090(4) 0.4720(4) 0.0184(12) Uani 1 1 d . . . . .
C23 C 1.1975(5) 0.3913(4) 0.6162(4) 0.0247(14) Uani 1 1 d . . . . .
H23 H 1.1723 0.4416 0.6536 0.030 Uiso 1 1 calc R . . . .
C51 C 0.9199(5) 0.1724(4) 0.4383(4) 0.0224(13) Uani 1 1 d . . . . .
C36 C 1.2678(5) 0.2108(4) 0.2992(4) 0.0204(13) Uani 1 1 d . . . . .
C7 C 0.7660(5) 0.3640(4) 0.2116(4) 0.0211(13) Uani 1 1 d . . . . .
C29 C 1.4096(5) 0.4262(4) 0.3807(4) 0.0223(13) Uani 1 1 d . . . . .
H29 H 1.4299 0.3840 0.4140 0.027 Uiso 1 1 calc R . . . .
C15 C 0.6913(6) -0.0053(5) 0.1299(5) 0.0335(16) Uani 1 1 d . . . . .
H15 H 0.6753 -0.0659 0.1442 0.040 Uiso 1 1 calc R . . . .
C45 C 0.9438(6) -0.0510(5) 0.2869(6) 0.0393(19) Uani 1 1 d . . . . .
H45 H 0.9327 -0.1173 0.2829 0.047 Uiso 1 1 calc R . . . .
C49 C 0.8550(6) 0.0408(5) 0.5082(5) 0.0393(18) Uani 1 1 d . . . . .
H49 H 0.8250 0.0184 0.5569 0.047 Uiso 1 1 calc R . . . .
C33 C 1.3633(6) 0.0636(5) 0.2054(4) 0.0340(16) Uani 1 1 d . . . . .
H33 H 1.3965 0.0142 0.1737 0.041 Uiso 1 1 calc R . . . .
C6 C 0.6192(5) 0.1895(5) 0.3513(4) 0.0264(14) Uani 1 1 d . . . . .
H6 H 0.6062 0.1338 0.3077 0.032 Uiso 1 1 calc R . . . .
C53 C 0.8930(5) 0.3034(5) 0.5792(4) 0.0297(15) Uani 1 1 d . . . . .
H53 H 0.8865 0.3509 0.6280 0.036 Uiso 1 1 calc R . . . .
C5 C 0.5518(6) 0.1963(5) 0.4229(5) 0.0315(15) Uani 1 1 d . . . . .
H5 H 0.4939 0.1446 0.4283 0.038 Uiso 1 1 calc R . . . .
C32 C 1.2853(5) 0.0446(5) 0.2664(4) 0.0285(15) Uani 1 1 d . . . . .
H32 H 1.2644 -0.0176 0.2764 0.034 Uiso 1 1 calc R . . . .
C39 C 1.1255(6) 0.2439(5) 0.0395(4) 0.0327(16) Uani 1 1 d . . . . .
H39 H 1.1510 0.2813 -0.0012 0.039 Uiso 1 1 calc R . . . .
C44 C 0.9845(6) -0.0130(4) 0.2201(5) 0.0348(17) Uani 1 1 d . . . . .
H44 H 1.0012 -0.0538 0.1695 0.042 Uiso 1 1 calc R . . . .
C30 C 1.2980(5) 0.4110(4) 0.3435(4) 0.0180(12) Uani 1 1 d . . . . .
C35 C 1.3443(5) 0.2271(5) 0.2369(4) 0.0244(13) Uani 1 1 d . . . . .
H35 H 1.3639 0.2887 0.2255 0.029 Uiso 1 1 calc R . . . .
N2 N 0.9795(4) 0.1420(4) 0.2951(3) 0.0256(12) Uani 1 1 d . . . . .
C28 C 1.4894(5) 0.5018(5) 0.3688(4) 0.0267(14) Uani 1 1 d . . . . .
H28 H 1.5645 0.5124 0.3944 0.032 Uiso 1 1 calc R . . . .
C34 C 1.3930(6) 0.1545(5) 0.1905(4) 0.0302(15) Uani 1 1 d . . . . .
H34 H 1.4465 0.1672 0.1488 0.036 Uiso 1 1 calc R . . . .
C50 C 0.8791(6) 0.1396(5) 0.5112(5) 0.0321(16) Uani 1 1 d . . . . .
C22 C 1.2448(6) 0.3253(5) 0.6501(4) 0.0296(15) Uani 1 1 d . . . . .
H22 H 1.2513 0.3301 0.7106 0.036 Uiso 1 1 calc R . . . .
C47 C 0.9387(5) 0.1056(5) 0.3637(5) 0.0283(15) Uani 1 1 d . . . . .
C3 C 0.6516(5) 0.3528(5) 0.4778(4) 0.0249(14) Uani 1 1 d . . . . .
H3 H 0.6615 0.4089 0.5209 0.030 Uiso 1 1 calc R . . . .
C11 C 0.6187(6) 0.4422(5) 0.1693(4) 0.0341(16) Uani 1 1 d . . . . .
H11 H 0.5405 0.4470 0.1650 0.041 Uiso 1 1 calc R . . . .
C40 C 1.1228(6) 0.1481(6) 0.0215(5) 0.0409(19) Uani 1 1 d . . . . .
H40 H 1.1481 0.1192 -0.0318 0.049 Uiso 1 1 calc R . . . .
C14 C 0.7332(5) 0.0733(4) 0.1932(4) 0.0242(13) Uani 1 1 d . . . . .
H14 H 0.7486 0.0658 0.2500 0.029 Uiso 1 1 calc R . . . .
C2 C 0.7201(5) 0.3483(4) 0.4090(4) 0.0212(13) Uani 1 1 d . . . . .
H2 H 0.7771 0.4008 0.4045 0.025 Uiso 1 1 calc R . . . .
C31 C 1.2376(6) 0.1183(5) 0.3130(4) 0.0272(14) Uani 1 1 d . . . . .
H31 H 1.1841 0.1056 0.3547 0.033 Uiso 1 1 calc R . . . .
C16 C 0.6727(6) 0.0040(5) 0.0455(5) 0.0394(18) Uani 1 1 d . . . . .
H16 H 0.6443 -0.0498 0.0017 0.047 Uiso 1 1 calc R . . . .
C25 C 1.2692(5) 0.4737(4) 0.2960(4) 0.0244(14) Uani 1 1 d . . . . .
H25 H 1.1935 0.4649 0.2721 0.029 Uiso 1 1 calc R . . . .
C52 C 0.8660(6) 0.2100(6) 0.5838(4) 0.0345(17) Uani 1 1 d . . . . .
H52 H 0.8388 0.1924 0.6353 0.041 Uiso 1 1 calc R . . . .
C27 C 1.4593(6) 0.5631(4) 0.3189(4) 0.0259(14) Uani 1 1 d . . . . .
H27 H 1.5148 0.6146 0.3097 0.031 Uiso 1 1 calc R . . . .
C12 C 0.6513(6) 0.3733(5) 0.2074(4) 0.0290(15) Uani 1 1 d . . . . .
H12 H 0.5955 0.3321 0.2309 0.035 Uiso 1 1 calc R . . . .
C9 C 0.8149(6) 0.4966(5) 0.1408(4) 0.0335(16) Uani 1 1 d . . . . .
H9 H 0.8711 0.5383 0.1183 0.040 Uiso 1 1 calc R . . . .
C46 C 0.9180(5) 0.0076(5) 0.3620(5) 0.0308(16) Uani 1 1 d . . . . .
C18 C 0.7365(6) 0.1721(5) 0.0898(4) 0.0303(15) Uani 1 1 d . . . . .
H18 H 0.7529 0.2325 0.0753 0.036 Uiso 1 1 calc R . . . .
C43 C 1.0030(5) 0.0856(5) 0.2227(4) 0.0287(15) Uani 1 1 d . . . . .
C8 C 0.8461(6) 0.4257(5) 0.1786(4) 0.0283(14) Uani 1 1 d . . . . .
H8 H 0.9241 0.4199 0.1815 0.034 Uiso 1 1 calc R . . . .
C26 C 1.3506(5) 0.5499(5) 0.2828(4) 0.0283(15) Uani 1 1 d . . . . .
H26 H 1.3309 0.5920 0.2492 0.034 Uiso 1 1 calc R . . . .
C4 C 0.5691(5) 0.2771(5) 0.4852(4) 0.0270(14) Uani 1 1 d . . . . .
H4 H 0.5237 0.2809 0.5338 0.032 Uiso 1 1 calc R . . . .
C17 C 0.6964(7) 0.0932(5) 0.0265(5) 0.0411(19) Uani 1 1 d . . . . .
H17 H 0.6849 0.1003 -0.0311 0.049 Uiso 1 1 calc R . . . .
C38 C 1.0894(5) 0.2852(5) 0.1205(4) 0.0269(14) Uani 1 1 d . . . . .
C21 C 1.2822(5) 0.2530(4) 0.5954(4) 0.0265(14) Uani 1 1 d . . . . .
H21 H 1.3155 0.2086 0.6186 0.032 Uiso 1 1 calc R . . . .
C24 C 1.1872(5) 0.3836(4) 0.5278(4) 0.0198(12) Uani 1 1 d . . . . .
H24 H 1.1555 0.4290 0.5049 0.024 Uiso 1 1 calc R . . . .
C48 C 0.8740(6) -0.0227(5) 0.4371(5) 0.0387(18) Uani 1 1 d . . . . .
H48 H 0.8577 -0.0882 0.4376 0.046 Uiso 1 1 calc R . . . .
C41 C 1.0832(6) 0.0930(6) 0.0809(5) 0.0375(18) Uani 1 1 d . . . . .
H41 H 1.0821 0.0270 0.0690 0.045 Uiso 1 1 calc R . . . .
C10 C 0.7020(6) 0.5053(5) 0.1368(5) 0.0347(16) Uani 1 1 d . . . . .
H10 H 0.6801 0.5537 0.1120 0.042 Uiso 1 1 calc R . . . .
C37 C 1.1261(7) 0.4375(5) 0.0855(5) 0.0380(17) Uani 1 1 d . . . . .
H37A H 1.2060 0.4357 0.0732 0.057 Uiso 1 1 calc GR . . . .
H37B H 1.1184 0.5024 0.1104 0.057 Uiso 1 1 calc GR . . . .
H37C H 1.0781 0.4150 0.0321 0.057 Uiso 1 1 calc GR . . . .
C42 C 1.0455(5) 0.1376(5) 0.1579(4) 0.0295(15) Uani 1 1 d . . . . .
C84 C 0.5775(10) 0.1695(8) 0.6853(7) 0.077(3) Uani 1 1 d . . . . .
H84A H 0.6019 0.2254 0.6596 0.092 Uiso 1 1 calc R . . . .
H84B H 0.6443 0.1606 0.7188 0.092 Uiso 1 1 calc R . . . .
C85 C 0.5558(8) 0.3117(7) 0.9660(6) 0.059(2) Uani 1 1 d . . . . .
H85A H 0.6113 0.3241 1.0158 0.071 Uiso 1 1 calc R . . . .
H85B H 0.5761 0.2604 0.9219 0.071 Uiso 1 1 calc R . . . .
F7 F 0.7385(5) 0.2113(8) 0.8646(6) 0.142(4) Uani 1 1 d . . . . .
F9 F 0.8606(13) 0.3245(6) 0.9444(5) 0.193(6) Uani 1 1 d . . . . .
F8 F 0.9946(6) 0.2925(7) 0.8556(8) 0.173(5) Uani 1 1 d . . . . .


_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 Cl5 2.4512(16) . ?
Ru1 P2 2.3937(18) . ?
Ru1 P1 2.4007(17) . ?
Ru1 N1 2.101(5) . ?
Ru1 N3 2.183(5) . ?
Ru1 N2 1.973(5) . ?
P2 C19 1.846(6) . ?
P2 C36 1.844(6) . ?
P2 C30 1.844(6) . ?
P1 C13 1.836(6) . ?
P1 C1 1.839(6) . ?
P1 C7 1.841(6) . ?
P3 F5 1.598(5) . ?
P3 F2 1.598(5) . ?
P3 F3 1.574(5) . ?
P3 F7 1.587(7) . ?
P3 F9 1.545(7) . ?
P3 F8 1.505(7) . ?
Cl1 C85 1.775(10) . ?
Cl2 C85 1.749(9) . ?
Cl3 C84 1.771(12) . ?
O1 C38 1.338(8) . ?
O1 C37 1.443(8) . ?
Cl4 C84 1.739(11) . ?
N1 C54 1.352(8) . ?
N1 C51 1.366(8) . ?
N3 C38 1.345(8) . ?
N3 C42 1.382(9) . ?
C20 H20 0.9500 . ?
C20 C19 1.388(9) . ?
C20 C21 1.394(9) . ?
C54 H54 0.9500 . ?
C54 C53 1.396(9) . ?
C13 C14 1.391(9) . ?
C13 C18 1.396(9) . ?
C1 C6 1.385(9) . ?
C1 C2 1.422(8) . ?
C19 C24 1.405(8) . ?
C23 H23 0.9500 . ?
C23 C22 1.392(9) . ?
C23 C24 1.387(9) . ?
C51 C50 1.402(9) . ?
C51 C47 1.431(10) . ?
C36 C35 1.384(9) . ?
C36 C31 1.405(9) . ?
C7 C12 1.400(9) . ?
C7 C8 1.382(9) . ?
C29 H29 0.9500 . ?
C29 C30 1.408(8) . ?
C29 C28 1.376(9) . ?
C15 H15 0.9500 . ?
C15 C14 1.384(9) . ?
C15 C16 1.391(11) . ?
C45 H45 0.9500 . ?
C45 C44 1.352(11) . ?
C45 C46 1.401(11) . ?
C49 H49 0.9500 . ?
C49 C50 1.422(10) . ?
C49 C48 1.367(12) . ?
C33 H33 0.9500 . ?
C33 C32 1.389(10) . ?
C33 C34 1.389(10) . ?
C6 H6 0.9500 . ?
C6 C5 1.403(9) . ?
C53 H53 0.9500 . ?
C53 C52 1.372(10) . ?
C5 H5 0.9500 . ?
C5 C4 1.370(10) . ?
C32 H32 0.9500 . ?
C32 C31 1.403(9) . ?
C39 H39 0.9500 . ?
C39 C40 1.375(11) . ?
C39 C38 1.420(9) . ?
C44 H44 0.9500 . ?
C44 C43 1.420(9) . ?
C30 C25 1.383(9) . ?
C35 H35 0.9500 . ?
C35 C34 1.396(9) . ?
N2 C47 1.366(9) . ?
N2 C43 1.345(9) . ?
C28 H28 0.9500 . ?
C28 C27 1.399(9) . ?
C34 H34 0.9500 . ?
C50 C52 1.422(11) . ?
C22 H22 0.9500 . ?
C22 C21 1.380(10) . ?
C47 C46 1.415(9) . ?
C3 H3 0.9500 . ?
C3 C2 1.376(9) . ?
C3 C4 1.374(9) . ?
C11 H11 0.9500 . ?
C11 C12 1.384(10) . ?
C11 C10 1.413(10) . ?
C40 H40 0.9500 . ?
C40 C41 1.396(11) . ?
C14 H14 0.9500 . ?
C2 H2 0.9500 . ?
C31 H31 0.9500 . ?
C16 H16 0.9500 . ?
C16 C17 1.386(11) . ?
C25 H25 0.9500 . ?
C25 C26 1.399(9) . ?
C52 H52 0.9500 . ?
C27 H27 0.9500 . ?
C27 C26 1.371(9) . ?
C12 H12 0.9500 . ?
C9 H9 0.9500 . ?
C9 C8 1.400(9) . ?
C9 C10 1.376(10) . ?
C46 C48 1.430(11) . ?
C18 H18 0.9500 . ?
C18 C17 1.383(9) . ?
C43 C42 1.446(10) . ?
C8 H8 0.9500 . ?
C26 H26 0.9500 . ?
C4 H4 0.9500 . ?
C17 H17 0.9500 . ?
C21 H21 0.9500 . ?
C24 H24 0.9500 . ?
C48 H48 0.9500 . ?
C41 H41 0.9500 . ?
C41 C42 1.393(9) . ?
C10 H10 0.9500 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 H85A 0.9900 . ?
C85 H85B 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
P2 Ru1 Cl5 88.50(5) . . ?
P2 Ru1 P1 175.09(5) . . ?
P1 Ru1 Cl5 87.50(5) . . ?
N1 Ru1 Cl5 88.78(15) . . ?
N1 Ru1 P2 92.40(13) . . ?
N1 Ru1 P1 90.36(14) . . ?
N1 Ru1 N3 156.2(2) . . ?
N3 Ru1 Cl5 114.97(14) . . ?
N3 Ru1 P2 87.56(14) . . ?
N3 Ru1 P1 91.54(14) . . ?
N2 Ru1 Cl5 168.87(16) . . ?
N2 Ru1 P2 93.40(15) . . ?
N2 Ru1 P1 91.06(15) . . ?
N2 Ru1 N1 80.2(2) . . ?
N2 Ru1 N3 76.1(2) . . ?
C19 P2 Ru1 114.79(18) . . ?
C36 P2 Ru1 111.75(19) . . ?
C36 P2 C19 105.8(3) . . ?
C30 P2 Ru1 121.33(19) . . ?
C30 P2 C19 100.2(3) . . ?
C30 P2 C36 101.0(3) . . ?
C13 P1 Ru1 113.9(2) . . ?
C13 P1 C1 105.7(3) . . ?
C13 P1 C7 102.6(3) . . ?
C1 P1 Ru1 112.82(19) . . ?
C1 P1 C7 100.7(3) . . ?
C7 P1 Ru1 119.48(19) . . ?
F2 P3 F5 178.4(3) . . ?
F3 P3 F5 88.9(3) . . ?
F3 P3 F2 89.6(3) . . ?
F3 P3 F7 87.2(5) . . ?
F7 P3 F5 88.6(3) . . ?
F7 P3 F2 90.8(4) . . ?
F9 P3 F5 89.0(3) . . ?
F9 P3 F2 92.4(4) . . ?
F9 P3 F3 174.9(7) . . ?
F9 P3 F7 88.0(7) . . ?
F8 P3 F5 90.0(3) . . ?
F8 P3 F2 90.7(4) . . ?
F8 P3 F3 92.2(6) . . ?
F8 P3 F7 178.4(5) . . ?
F8 P3 F9 92.5(8) . . ?
C38 O1 C37 117.7(5) . . ?
C54 N1 Ru1 132.2(4) . . ?
C54 N1 C51 115.8(5) . . ?
C51 N1 Ru1 112.0(4) . . ?
C38 N3 Ru1 129.7(4) . . ?
C38 N3 C42 118.0(5) . . ?
C42 N3 Ru1 112.3(4) . . ?
C19 C20 H20 120.1 . . ?
C19 C20 C21 119.8(6) . . ?
C21 C20 H20 120.1 . . ?
N1 C54 H54 118.3 . . ?
N1 C54 C53 123.4(6) . . ?
C53 C54 H54 118.3 . . ?
C14 C13 P1 121.6(5) . . ?
C14 C13 C18 118.3(6) . . ?
C18 C13 P1 120.0(5) . . ?
C6 C1 P1 126.8(5) . . ?
C6 C1 C2 119.2(6) . . ?
C2 C1 P1 114.1(5) . . ?
C20 C19 P2 125.5(5) . . ?
C20 C19 C24 119.2(6) . . ?
C24 C19 P2 115.3(4) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C24 C23 C22 119.9(6) . . ?
N1 C51 C50 125.3(6) . . ?
N1 C51 C47 115.5(6) . . ?
C50 C51 C47 119.1(6) . . ?
C35 C36 P2 121.4(5) . . ?
C35 C36 C31 118.2(6) . . ?
C31 C36 P2 120.2(5) . . ?
C12 C7 P1 119.3(5) . . ?
C8 C7 P1 121.7(5) . . ?
C8 C7 C12 119.0(6) . . ?
C30 C29 H29 119.8 . . ?
C28 C29 H29 119.8 . . ?
C28 C29 C30 120.3(6) . . ?
C14 C15 H15 119.9 . . ?
C14 C15 C16 120.2(7) . . ?
C16 C15 H15 119.9 . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C46 119.9(6) . . ?
C46 C45 H45 120.0 . . ?
C50 C49 H49 119.2 . . ?
C48 C49 H49 119.2 . . ?
C48 C49 C50 121.7(7) . . ?
C32 C33 H33 119.9 . . ?
C32 C33 C34 120.2(6) . . ?
C34 C33 H33 119.9 . . ?
C1 C6 H6 120.1 . . ?
C1 C6 C5 119.7(6) . . ?
C5 C6 H6 120.1 . . ?
C54 C53 H53 120.1 . . ?
C52 C53 C54 119.7(6) . . ?
C52 C53 H53 120.1 . . ?
C6 C5 H5 119.9 . . ?
C4 C5 C6 120.2(6) . . ?
C4 C5 H5 119.9 . . ?
C33 C32 H32 120.4 . . ?
C33 C32 C31 119.2(6) . . ?
C31 C32 H32 120.4 . . ?
C40 C39 H39 120.9 . . ?
C40 C39 C38 118.3(7) . . ?
C38 C39 H39 120.9 . . ?
C45 C44 H44 118.8 . . ?
C45 C44 C43 122.4(7) . . ?
C43 C44 H44 118.8 . . ?
C29 C30 P2 118.5(4) . . ?
C25 C30 P2 122.2(4) . . ?
C25 C30 C29 119.2(5) . . ?
C36 C35 H35 119.4 . . ?
C36 C35 C34 121.2(6) . . ?
C34 C35 H35 119.4 . . ?
C47 N2 Ru1 115.9(4) . . ?
C43 N2 Ru1 123.1(5) . . ?
C43 N2 C47 121.1(6) . . ?
C29 C28 H28 120.2 . . ?
C29 C28 C27 119.5(6) . . ?
C27 C28 H28 120.2 . . ?
C33 C34 C35 120.0(6) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C51 C50 C49 119.1(7) . . ?
C51 C50 C52 116.0(6) . . ?
C49 C50 C52 124.9(7) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 C23 119.7(6) . . ?
C21 C22 H22 120.2 . . ?
N2 C47 C51 116.3(6) . . ?
N2 C47 C46 122.1(7) . . ?
C46 C47 C51 121.6(6) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C4 C3 C2 120.8(6) . . ?
C12 C11 H11 120.1 . . ?
C12 C11 C10 119.9(6) . . ?
C10 C11 H11 120.1 . . ?
C39 C40 H40 119.7 . . ?
C39 C40 C41 120.7(7) . . ?
C41 C40 H40 119.7 . . ?
C13 C14 H14 119.4 . . ?
C15 C14 C13 121.2(6) . . ?
C15 C14 H14 119.4 . . ?
C1 C2 H2 120.3 . . ?
C3 C2 C1 119.5(6) . . ?
C3 C2 H2 120.3 . . ?
C36 C31 H31 119.4 . . ?
C32 C31 C36 121.1(6) . . ?
C32 C31 H31 119.4 . . ?
C15 C16 H16 120.6 . . ?
C17 C16 C15 118.7(6) . . ?
C17 C16 H16 120.6 . . ?
C30 C25 H25 119.7 . . ?
C30 C25 C26 120.6(6) . . ?
C26 C25 H25 119.7 . . ?
C53 C52 C50 119.6(6) . . ?
C53 C52 H52 120.2 . . ?
C50 C52 H52 120.2 . . ?
C28 C27 H27 119.5 . . ?
C26 C27 C28 120.9(6) . . ?
C26 C27 H27 119.5 . . ?
C7 C12 H12 119.8 . . ?
C11 C12 C7 120.3(6) . . ?
C11 C12 H12 119.8 . . ?
C8 C9 H9 120.3 . . ?
C10 C9 H9 120.3 . . ?
C10 C9 C8 119.3(7) . . ?
C45 C46 C47 116.7(7) . . ?
C45 C46 C48 126.0(6) . . ?
C47 C46 C48 117.3(7) . . ?
C13 C18 H18 119.8 . . ?
C17 C18 C13 120.3(6) . . ?
C17 C18 H18 119.8 . . ?
C44 C43 C42 129.6(6) . . ?
N2 C43 C44 117.8(6) . . ?
N2 C43 C42 112.6(6) . . ?
C7 C8 C9 121.5(6) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 H8 119.3 . . ?
C25 C26 H26 120.3 . . ?
C27 C26 C25 119.4(6) . . ?
C27 C26 H26 120.3 . . ?
C5 C4 C3 120.5(6) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C16 C17 H17 119.4 . . ?
C18 C17 C16 121.2(7) . . ?
C18 C17 H17 119.4 . . ?
O1 C38 N3 114.0(5) . . ?
O1 C38 C39 123.6(6) . . ?
N3 C38 C39 122.4(6) . . ?
C20 C21 H21 119.6 . . ?
C22 C21 C20 120.9(6) . . ?
C22 C21 H21 119.6 . . ?
C19 C24 H24 119.8 . . ?
C23 C24 C19 120.4(6) . . ?
C23 C24 H24 119.8 . . ?
C49 C48 C46 121.2(6) . . ?
C49 C48 H48 119.4 . . ?
C46 C48 H48 119.4 . . ?
C40 C41 H41 121.0 . . ?
C42 C41 C40 118.1(7) . . ?
C42 C41 H41 121.0 . . ?
C11 C10 H10 120.0 . . ?
C9 C10 C11 120.0(7) . . ?
C9 C10 H10 120.0 . . ?
O1 C37 H37A 109.5 . . ?
O1 C37 H37B 109.5 . . ?
O1 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N3 C42 C43 115.9(6) . . ?
N3 C42 C41 122.5(7) . . ?
C41 C42 C43 121.6(7) . . ?
Cl3 C84 H84A 108.5 . . ?
Cl3 C84 H84B 108.5 . . ?
Cl4 C84 Cl3 115.0(7) . . ?
Cl4 C84 H84A 108.5 . . ?
Cl4 C84 H84B 108.5 . . ?
H84A C84 H84B 107.5 . . ?
Cl1 C85 H85A 109.3 . . ?
Cl1 C85 H85B 109.3 . . ?
Cl2 C85 Cl1 111.4(5) . . ?
Cl2 C85 H85A 109.3 . . ?
Cl2 C85 H85B 109.3 . . ?
H85A C85 H85B 108.0 . . ?

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
Ru1 P2 C19 C20 115.2(5) . . . . ?
Ru1 P2 C19 C24 -63.2(4) . . . . ?
Ru1 P2 C36 C35 106.8(5) . . . . ?
Ru1 P2 C36 C31 -67.6(5) . . . . ?
Ru1 P2 C30 C29 173.2(4) . . . . ?
Ru1 P2 C30 C25 -9.5(6) . . . . ?
Ru1 P1 C13 C14 69.6(5) . . . . ?
Ru1 P1 C13 C18 -107.6(5) . . . . ?
Ru1 P1 C1 C6 -114.8(5) . . . . ?
Ru1 P1 C1 C2 65.1(5) . . . . ?
Ru1 P1 C7 C12 -159.7(4) . . . . ?
Ru1 P1 C7 C8 21.7(6) . . . . ?
Ru1 N1 C54 C53 -179.8(4) . . . . ?
Ru1 N1 C51 C50 -178.5(5) . . . . ?
Ru1 N1 C51 C47 2.1(6) . . . . ?
Ru1 N3 C38 O1 -3.7(8) . . . . ?
Ru1 N3 C38 C39 176.2(5) . . . . ?
Ru1 N3 C42 C43 2.8(7) . . . . ?
Ru1 N3 C42 C41 -174.4(5) . . . . ?
Ru1 N2 C47 C51 -2.3(7) . . . . ?
Ru1 N2 C47 C46 178.9(5) . . . . ?
Ru1 N2 C43 C44 -179.8(4) . . . . ?
Ru1 N2 C43 C42 0.6(7) . . . . ?
P2 C19 C24 C23 176.9(4) . . . . ?
P2 C36 C35 C34 -176.4(5) . . . . ?
P2 C36 C31 C32 175.9(5) . . . . ?
P2 C30 C25 C26 -175.5(5) . . . . ?
P1 C13 C14 C15 178.8(5) . . . . ?
P1 C13 C18 C17 -179.8(6) . . . . ?
P1 C1 C6 C5 177.6(5) . . . . ?
P1 C1 C2 C3 -178.3(5) . . . . ?
P1 C7 C12 C11 -177.4(5) . . . . ?
P1 C7 C8 C9 178.3(5) . . . . ?
N1 C54 C53 C52 -2.3(10) . . . . ?
N1 C51 C50 C49 179.3(6) . . . . ?
N1 C51 C50 C52 -1.3(9) . . . . ?
N1 C51 C47 N2 0.0(8) . . . . ?
N1 C51 C47 C46 178.8(5) . . . . ?
C20 C19 C24 C23 -1.6(8) . . . . ?
C54 N1 C51 C50 0.7(9) . . . . ?
C54 N1 C51 C47 -178.6(5) . . . . ?
C54 C53 C52 C50 1.6(10) . . . . ?
C13 P1 C1 C6 10.3(6) . . . . ?
C13 P1 C1 C2 -169.9(4) . . . . ?
C13 P1 C7 C12 73.2(5) . . . . ?
C13 P1 C7 C8 -105.4(5) . . . . ?
C13 C18 C17 C16 -0.6(12) . . . . ?
C1 P1 C13 C14 -54.8(6) . . . . ?
C1 P1 C13 C18 128.0(5) . . . . ?
C1 P1 C7 C12 -35.6(5) . . . . ?
C1 P1 C7 C8 145.7(5) . . . . ?
C1 C6 C5 C4 1.1(10) . . . . ?
C19 P2 C36 C35 -127.5(5) . . . . ?
C19 P2 C36 C31 58.0(5) . . . . ?
C19 P2 C30 C29 45.8(5) . . . . ?
C19 P2 C30 C25 -136.9(5) . . . . ?
C19 C20 C21 C22 0.0(9) . . . . ?
C23 C22 C21 C20 -0.9(9) . . . . ?
C51 N1 C54 C53 1.1(8) . . . . ?
C51 C50 C52 C53 0.1(9) . . . . ?
C51 C47 C46 C45 -177.4(6) . . . . ?
C51 C47 C46 C48 2.0(9) . . . . ?
C36 P2 C19 C20 -8.6(6) . . . . ?
C36 P2 C19 C24 173.1(4) . . . . ?
C36 P2 C30 C29 -62.7(5) . . . . ?
C36 P2 C30 C25 114.6(5) . . . . ?
C36 C35 C34 C33 1.3(10) . . . . ?
C7 P1 C13 C14 -159.8(5) . . . . ?
C7 P1 C13 C18 22.9(6) . . . . ?
C7 P1 C1 C6 116.7(6) . . . . ?
C7 P1 C1 C2 -63.4(5) . . . . ?
C29 C30 C25 C26 1.8(9) . . . . ?
C29 C28 C27 C26 1.2(10) . . . . ?
C15 C16 C17 C18 -0.8(12) . . . . ?
C45 C44 C43 N2 0.4(10) . . . . ?
C45 C44 C43 C42 180.0(7) . . . . ?
C45 C46 C48 C49 178.0(7) . . . . ?
C49 C50 C52 C53 179.4(6) . . . . ?
C33 C32 C31 C36 -0.2(9) . . . . ?
C6 C1 C2 C3 1.6(9) . . . . ?
C6 C5 C4 C3 0.8(10) . . . . ?
C32 C33 C34 C35 -0.1(10) . . . . ?
C39 C40 C41 C42 0.8(10) . . . . ?
C44 C45 C46 C47 -1.1(10) . . . . ?
C44 C45 C46 C48 179.6(7) . . . . ?
C44 C43 C42 N3 178.1(6) . . . . ?
C44 C43 C42 C41 -4.6(11) . . . . ?
C30 P2 C19 C20 -113.2(5) . . . . ?
C30 P2 C19 C24 68.4(5) . . . . ?
C30 P2 C36 C35 -23.5(6) . . . . ?
C30 P2 C36 C31 162.0(5) . . . . ?
C30 C29 C28 C27 -0.7(10) . . . . ?
C30 C25 C26 C27 -1.2(10) . . . . ?
C35 C36 C31 C32 1.3(9) . . . . ?
N2 C47 C46 C45 1.3(9) . . . . ?
N2 C47 C46 C48 -179.3(6) . . . . ?
N2 C43 C42 N3 -2.3(8) . . . . ?
N2 C43 C42 C41 174.9(6) . . . . ?
C28 C29 C30 P2 176.5(5) . . . . ?
C28 C29 C30 C25 -0.8(9) . . . . ?
C28 C27 C26 C25 -0.3(10) . . . . ?
C34 C33 C32 C31 -0.4(10) . . . . ?
C50 C51 C47 N2 -179.4(5) . . . . ?
C50 C51 C47 C46 -0.6(9) . . . . ?
C50 C49 C48 C46 -0.6(11) . . . . ?
C22 C23 C24 C19 0.6(9) . . . . ?
C47 C51 C50 C49 -1.4(9) . . . . ?
C47 C51 C50 C52 178.0(6) . . . . ?
C47 N2 C43 C44 -0.2(9) . . . . ?
C47 N2 C43 C42 -179.8(5) . . . . ?
C47 C46 C48 C49 -1.4(10) . . . . ?
C40 C39 C38 O1 178.6(6) . . . . ?
C40 C39 C38 N3 -1.2(10) . . . . ?
C40 C41 C42 N3 -3.1(10) . . . . ?
C40 C41 C42 C43 179.9(6) . . . . ?
C14 C13 C18 C17 2.9(10) . . . . ?
C14 C15 C16 C17 -0.3(11) . . . . ?
C2 C1 C6 C5 -2.3(9) . . . . ?
C2 C3 C4 C5 -1.4(10) . . . . ?
C31 C36 C35 C34 -1.9(9) . . . . ?
C16 C15 C14 C13 2.7(10) . . . . ?
C12 C7 C8 C9 -0.4(10) . . . . ?
C12 C11 C10 C9 1.8(11) . . . . ?
C46 C45 C44 C43 0.3(11) . . . . ?
C18 C13 C14 C15 -4.0(9) . . . . ?
C43 N2 C47 C51 178.1(5) . . . . ?
C43 N2 C47 C46 -0.7(9) . . . . ?
C8 C7 C12 C11 1.2(10) . . . . ?
C8 C9 C10 C11 -0.9(11) . . . . ?
C4 C3 C2 C1 0.2(9) . . . . ?
C38 N3 C42 C43 -179.7(5) . . . . ?
C38 N3 C42 C41 3.1(9) . . . . ?
C38 C39 C40 C41 1.3(10) . . . . ?
C21 C20 C19 P2 -177.1(4) . . . . ?
C21 C20 C19 C24 1.3(8) . . . . ?
C24 C23 C22 C21 0.6(9) . . . . ?
C48 C49 C50 C51 2.1(10) . . . . ?
C48 C49 C50 C52 -177.3(7) . . . . ?
C10 C11 C12 C7 -2.0(10) . . . . ?
C10 C9 C8 C7 0.2(11) . . . . ?
C37 O1 C38 N3 -177.5(5) . . . . ?
C37 O1 C38 C39 2.6(9) . . . . ?
C42 N3 C38 O1 179.2(5) . . . . ?
C42 N3 C38 C39 -0.9(9) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_Complex
_database_code_depnum_ccdc_archive 'CCDC 1453889'
_audit_update_record             
;
2016-02-16 deposited with the CCDC.
2016-06-13 downloaded from the CCDC.
;
_audit_creation_date             2016-01-03
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C53 H41 Cl N3 O P2 Ru, F6 P, 3(C3 H3)'
_chemical_formula_sum            'C62 H50 Cl F6 N3 O P3 Ru'
_chemical_formula_weight         1196.48
_chemical_melting_point          ?
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.058(5)
_cell_length_b                   23.924(5)
_cell_length_c                   22.914(5)
_cell_angle_alpha                90
_cell_angle_beta                 98.455(5)
_cell_angle_gamma                90
_cell_volume                     5454(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9950
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.50
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.491
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6152
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/4 (Bruker,2014/4) was used for absorption correction.
wR2(int) was 0.1481 before and 0.0603 after correction.
The Ratio of minimum to maximum transmission is 0.8250.
The λ/2 correction factor is 0.00150.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.457
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2444
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0672
_diffrn_reflns_av_unetI/netI     0.0632
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            42994
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.025
_diffrn_reflns_theta_max         25.025
_diffrn_reflns_theta_min         4.096
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7342
_reflns_number_total             9570
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         1.483
_refine_diff_density_min         -0.911
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.112
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     653
_refine_ls_number_reflns         9570
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0896
_refine_ls_R_factor_gt           0.0630
_refine_ls_restrained_S_all      1.112
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0381P)²+27.7519P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1356
_refine_ls_wR_factor_ref         0.1451
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C74) = Uanis(C80) = Uanis(C76) = Uanis(C51) = Uanis(C2) = Uanis(C50)
3.a Aromatic/amide H refined with riding coordinates:
 C6(H6), C15(H15), C16(H16), C18(H18), C21(H21), C25(H25), C27(H27), C28(H28),
 C30(H30), C32(H32), C35(H35), C37(H37), C39(H39), C40(H40), C41(H41), C42(H42),
  C44(H44), C45(H45), C46(H46), C47(H47), C48(H48), C49(H49), C52(H52),
 C53(H53), C54(H54), C55(H55), C56(H56), C57(H57), C58(H58), C59(H59), C60(H60),
  C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C67(H67), C68(H68),
 C69(H69), C70(H70), C72(H72), C73(H73), C75(H75), C80(H80), C76(H76), C51(H51),
  C2(H2), C50(H50), C74(H74)
3.b Fitted hexagon refined as free rotating group:
 C80(C76,C51,C2,C50,C74)
3.c Idealised tetrahedral OH refined as rotating group:
 O8(H8)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.51646(4) 0.19625(2) 0.85677(2) 0.01342(12) Uani 1 1 d . . . . .
Cl2 Cl 0.27845(12) 0.21232(5) 0.86314(6) 0.0187(3) Uani 1 1 d . . . . .
P3 P 0.58145(14) 0.23466(6) 0.95316(6) 0.0186(3) Uani 1 1 d . . . . .
P4 P 0.44621(13) 0.15821(6) 0.76019(6) 0.0166(3) Uani 1 1 d . . . . .
P5 P 0.81498(17) -0.06449(7) 0.76409(9) 0.0399(5) Uani 1 1 d . . . . .
C6 C 0.3350(7) 0.3718(3) 0.9590(3) 0.0398(16) Uani 1 1 d . . . . .
H6 H 0.2592 0.3881 0.9355 0.048 Uiso 1 1 calc R . . . .
F7 F 0.7794(4) -0.12332(15) 0.7321(2) 0.0553(12) Uani 1 1 d . . . . .
O8 O 0.3262(4) 0.09816(16) 0.91248(17) 0.0265(9) Uani 1 1 d . . . . .
H8 H 0.3096 0.1256 0.8896 0.040 Uiso 1 1 calc GR . . . .
F9 F 0.8515(4) -0.00579(15) 0.7959(2) 0.0566(12) Uani 1 1 d . . . . .
N10 N 0.5714(4) 0.27339(17) 0.82204(18) 0.0164(9) Uani 1 1 d . . . . .
N11 N 0.5402(4) 0.11379(17) 0.89073(18) 0.0170(9) Uani 1 1 d . . . . .
F12 F 0.9007(4) -0.04700(17) 0.71427(18) 0.0543(11) Uani 1 1 d . . . . .
F13 F 0.9462(4) -0.09204(15) 0.80049(18) 0.0499(10) Uani 1 1 d . . . . .
N14 N 0.7028(4) 0.17961(17) 0.84828(17) 0.0148(9) Uani 1 1 d . . . . .
C15 C 0.3961(6) 0.3237(2) 0.9398(3) 0.0268(13) Uani 1 1 d . . . . .
H15 H 0.3605 0.3068 0.9033 0.032 Uiso 1 1 calc R . . . .
C16 C 0.3874(8) 0.3951(3) 1.0129(3) 0.0482(19) Uani 1 1 d . . . . .
H16 H 0.3455 0.4270 1.0269 0.058 Uiso 1 1 calc R . . . .
C17 C 0.7721(5) 0.3168(2) 0.7924(2) 0.0209(12) Uani 1 1 d . . . . .
C18 C 0.9926(7) -0.0467(4) 0.9647(3) 0.054(2) Uani 1 1 d . . . . .
H18 H 0.9873 -0.0790 0.9403 0.065 Uiso 1 1 calc R . . . .
C19 C 0.3560(5) 0.0921(2) 0.7650(2) 0.0181(11) Uani 1 1 d . . . . .
C20 C 0.3284(5) 0.1956(2) 0.7048(2) 0.0202(11) Uani 1 1 d . . . . .
C21 C 0.2062(6) -0.0014(2) 0.7891(3) 0.0284(14) Uani 1 1 d . . . . .
H21 H 0.1555 -0.0330 0.7980 0.034 Uiso 1 1 calc R . . . .
F22 F 0.6855(4) -0.03758(17) 0.7258(3) 0.097(2) Uani 1 1 d . . . . .
C23 C 0.7574(5) 0.1296(2) 0.8624(2) 0.0162(11) Uani 1 1 d . . . . .
F24 F 0.7306(6) -0.08198(19) 0.8136(3) 0.099(2) Uani 1 1 d . . . . .
C25 C 0.9623(5) 0.1594(2) 0.8300(2) 0.0213(12) Uani 1 1 d . . . . .
H25 H 1.0516 0.1518 0.8233 0.026 Uiso 1 1 calc R . . . .
C26 C 0.6664(5) 0.0919(2) 0.8881(2) 0.0181(11) Uani 1 1 d . . . . .
C27 C 0.5701(5) 0.3693(2) 0.7907(2) 0.0224(12) Uani 1 1 d . . . . .
H27 H 0.5208 0.4031 0.7832 0.027 Uiso 1 1 calc R . . . .
C28 C 0.8889(5) 0.1182(2) 0.8528(2) 0.0186(11) Uani 1 1 d . . . . .
H28 H 0.9273 0.0824 0.8619 0.022 Uiso 1 1 calc R . . . .
C29 C 0.7050(5) 0.2713(2) 0.8130(2) 0.0135(11) Uani 1 1 d . . . . .
C30 C 0.3450(6) -0.0040(2) 0.7965(2) 0.0253(13) Uani 1 1 d . . . . .
H30 H 0.3894 -0.0379 0.8092 0.030 Uiso 1 1 calc R . . . .
C31 C 0.9064(5) 0.2125(2) 0.8165(2) 0.0189(12) Uani 1 1 d . . . . .
C32 C 0.9732(5) 0.2592(2) 0.7940(2) 0.0243(13) Uani 1 1 d . . . . .
H32 H 1.0630 0.2551 0.7864 0.029 Uiso 1 1 calc R . . . .
C33 C 0.5541(5) 0.1936(2) 1.0182(2) 0.0218(12) Uani 1 1 d . . . . .
C34 C 0.7741(5) 0.2204(2) 0.8261(2) 0.0153(11) Uani 1 1 d . . . . .
C35 C 0.4823(6) 0.0262(2) 0.9313(3) 0.0280(14) Uani 1 1 d . . . . .
H35 H 0.4168 0.0037 0.9461 0.034 Uiso 1 1 calc R . . . .
C36 C 0.5871(5) 0.1476(2) 0.7186(2) 0.0189(12) Uani 1 1 d . . . . .
C37 C 0.9101(5) 0.3085(2) 0.7835(2) 0.0247(13) Uani 1 1 d . . . . .
H37 H 0.9578 0.3389 0.7698 0.030 Uiso 1 1 calc R . . . .
C38 C 0.5067(6) 0.3012(2) 0.9734(2) 0.0259(13) Uani 1 1 d . . . . .
C39 C 0.3881(6) 0.1545(2) 1.0722(3) 0.0293(14) Uani 1 1 d . . . . .
H39 H 0.2972 0.1451 1.0744 0.035 Uiso 1 1 calc R . . . .
C40 C 0.2712(5) 0.2459(2) 0.7163(2) 0.0203(12) Uani 1 1 d . . . . .
H40 H 0.2954 0.2633 0.7536 0.024 Uiso 1 1 calc R . . . .
C41 C 0.5083(5) 0.3218(2) 0.8102(2) 0.0175(11) Uani 1 1 d . . . . .
H41 H 0.4164 0.3243 0.8152 0.021 Uiso 1 1 calc R . . . .
C42 C 0.7017(6) 0.0388(2) 0.9067(2) 0.0231(12) Uani 1 1 d . . . . .
H42 H 0.7891 0.0248 0.9041 0.028 Uiso 1 1 calc R . . . .
C43 C 0.7626(5) 0.2489(2) 0.9626(2) 0.0210(12) Uani 1 1 d . . . . .
C44 C 0.6548(6) 0.0979(2) 0.7135(2) 0.0269(13) Uani 1 1 d . . . . .
H44 H 0.6226 0.0643 0.7286 0.032 Uiso 1 1 calc R . . . .
C45 C 1.0340(6) 0.2671(3) 0.9580(3) 0.0372(16) Uani 1 1 d . . . . .
H45 H 1.1266 0.2734 0.9561 0.045 Uiso 1 1 calc R . . . .
C46 C 0.4197(6) 0.0425(2) 0.7856(2) 0.0234(12) Uani 1 1 d . . . . .
H46 H 0.5151 0.0407 0.7921 0.028 Uiso 1 1 calc R . . . .
C47 C 0.6084(6) 0.0059(2) 0.9292(3) 0.0282(14) Uani 1 1 d . . . . .
H47 H 0.6319 -0.0307 0.9431 0.034 Uiso 1 1 calc R . . . .
C48 C 0.7514(6) 0.1946(3) 0.6689(2) 0.0326(15) Uani 1 1 d . . . . .
H48 H 0.7845 0.2280 0.6538 0.039 Uiso 1 1 calc R . . . .
C49 C 0.7019(6) 0.3668(2) 0.7826(2) 0.0242(13) Uani 1 1 d . . . . .
H49 H 0.7453 0.3991 0.7703 0.029 Uiso 1 1 calc R . . . .
C52 C 0.2938(6) 0.1708(3) 0.6496(3) 0.0304(14) Uani 1 1 d . . . . .
H52 H 0.3340 0.1364 0.6410 0.036 Uiso 1 1 calc R . . . .
C53 C 0.6364(5) 0.1963(2) 0.6954(2) 0.0239(12) Uani 1 1 d . . . . .
H53 H 0.5906 0.2308 0.6980 0.029 Uiso 1 1 calc R . . . .
C54 C 0.5596(6) 0.3254(2) 1.0270(2) 0.0299(14) Uani 1 1 d . . . . .
H54 H 0.6366 0.3098 1.0503 0.036 Uiso 1 1 calc R . . . .
C55 C 0.4209(6) 0.1793(2) 1.0219(3) 0.0259(13) Uani 1 1 d . . . . .
H55 H 0.3526 0.1867 0.9895 0.031 Uiso 1 1 calc R . . . .
C56 C 0.6184(7) 0.1568(3) 1.1159(3) 0.0368(16) Uani 1 1 d . . . . .
H56 H 0.6868 0.1486 1.1479 0.044 Uiso 1 1 calc R . . . .
C57 C 0.9443(6) 0.3102(3) 0.9489(3) 0.0351(16) Uani 1 1 d . . . . .
H57 H 0.9754 0.3465 0.9409 0.042 Uiso 1 1 calc R . . . .
C58 C 0.2151(5) 0.0934(2) 0.7569(2) 0.0242(13) Uani 1 1 d . . . . .
H58 H 0.1696 0.1267 0.7432 0.029 Uiso 1 1 calc R . . . .
C59 C 0.1779(6) 0.2713(2) 0.6735(3) 0.0276(13) Uani 1 1 d . . . . .
H59 H 0.1386 0.3060 0.6817 0.033 Uiso 1 1 calc R . . . .
C60 C 0.7701(6) 0.0969(3) 0.6863(3) 0.0373(16) Uani 1 1 d . . . . .
H60 H 0.8159 0.0626 0.6831 0.045 Uiso 1 1 calc R . . . .
C61 C 0.4510(5) 0.0808(2) 0.9112(2) 0.0201(12) Uani 1 1 d . . . . .
C62 C 0.6506(6) 0.1823(2) 1.0657(2) 0.0297(14) Uani 1 1 d . . . . .
H62 H 0.7414 0.1922 1.0639 0.036 Uiso 1 1 calc R . . . .
C63 C 0.1428(6) 0.2461(3) 0.6196(3) 0.0335(15) Uani 1 1 d . . . . .
H63 H 0.0781 0.2631 0.5907 0.040 Uiso 1 1 calc R . . . .
C64 C 0.2015(7) 0.1962(3) 0.6075(3) 0.0402(16) Uani 1 1 d . . . . .
H64 H 0.1781 0.1792 0.5699 0.048 Uiso 1 1 calc R . . . .
C65 C 0.9886(6) 0.2138(3) 0.9700(2) 0.0330(15) Uani 1 1 d . . . . .
H65 H 1.0503 0.1836 0.9766 0.040 Uiso 1 1 calc R . . . .
C66 C 0.1417(6) 0.0474(2) 0.7686(3) 0.0282(14) Uani 1 1 d . . . . .
H66 H 0.0463 0.0490 0.7625 0.034 Uiso 1 1 calc R . . . .
C67 C 0.8086(6) 0.3021(3) 0.9512(2) 0.0299(14) Uani 1 1 d . . . . .
H67 H 0.7476 0.3325 0.9450 0.036 Uiso 1 1 calc R . . . .
C68 C 0.8536(6) 0.2050(2) 0.9721(2) 0.0253(13) Uani 1 1 d . . . . .
H68 H 0.8228 0.1686 0.9802 0.030 Uiso 1 1 calc R . . . .
C69 C 0.8183(6) 0.1450(3) 0.6641(3) 0.0374(16) Uani 1 1 d . . . . .
H69 H 0.8969 0.1440 0.6457 0.045 Uiso 1 1 calc R . . . .
C70 C 0.4860(7) 0.1435(3) 1.1192(3) 0.0337(15) Uani 1 1 d . . . . .
H70 H 0.4629 0.1267 1.1538 0.040 Uiso 1 1 calc R . . . .
C72 C 0.9237(7) -0.0443(3) 1.0118(3) 0.0451(18) Uani 1 1 d . . . . .
H72 H 0.8705 -0.0753 1.0198 0.054 Uiso 1 1 calc R . . . .
C73 C 0.4988(7) 0.3726(3) 1.0462(3) 0.0408(17) Uani 1 1 d . . . . .
H73 H 0.5346 0.3895 1.0827 0.049 Uiso 1 1 calc R . . . .
C75 C 0.9293(7) 0.0011(4) 1.0472(3) 0.049(2) Uani 1 1 d . . . . .
H75 H 0.8808 0.0019 1.0798 0.059 Uiso 1 1 calc R . . . .
C80 C 1.1323(8) -0.0120(3) 0.6000(4) 0.114(2) Uani 1 1 d . . . . .
H80 H 1.0499 -0.0029 0.6133 0.137 Uiso 1 1 calc R . . . .
C76 C 1.2537(10) 0.0004(3) 0.6349(3) 0.114(2) Uani 1 1 d G . . . .
H76 H 1.2543 0.0180 0.6721 0.137 Uiso 1 1 calc R . . . .
C51 C 1.3743(8) -0.0130(3) 0.6154(3) 0.114(2) Uani 1 1 d G . . . .
H51 H 1.4573 -0.0045 0.6393 0.137 Uiso 1 1 calc R . . . .
C2 C 1.3735(8) -0.0387(3) 0.5610(4) 0.114(2) Uani 1 1 d G . . . .
H2 H 1.4559 -0.0478 0.5476 0.137 Uiso 1 1 calc R . . . .
C50 C 1.2521(10) -0.0511(3) 0.5261(3) 0.114(2) Uani 1 1 d G . . . .
H50 H 1.2515 -0.0687 0.4888 0.137 Uiso 1 1 calc R . . . .
C74 C 1.1315(8) -0.0378(3) 0.5456(4) 0.114(2) Uani 1 1 d G . . . .
H74 H 1.0485 -0.0462 0.5217 0.137 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 Cl2 2.4501(17) . ?
Ru1 P3 2.3928(15) . ?
Ru1 P4 2.4010(15) . ?
Ru1 N10 2.115(4) . ?
Ru1 N11 2.121(4) . ?
Ru1 N14 1.953(4) . ?
P3 C33 1.839(5) . ?
P3 C38 1.848(6) . ?
P3 C43 1.834(6) . ?
P4 C19 1.835(5) . ?
P4 C20 1.837(5) . ?
P4 C36 1.838(5) . ?
P5 F7 1.603(4) . ?
P5 F9 1.600(4) . ?
P5 F12 1.585(4) . ?
P5 F13 1.596(4) . ?
P5 F22 1.595(5) . ?
P5 F24 1.570(5) . ?
C6 H6 0.9500 . ?
C6 C15 1.406(8) . ?
C6 C16 1.386(9) . ?
O8 H8 0.8400 . ?
O8 C61 1.326(6) . ?
N10 C29 1.391(6) . ?
N10 C41 1.329(6) . ?
N11 C26 1.383(7) . ?
N11 C61 1.331(7) . ?
N14 C23 1.336(6) . ?
N14 C34 1.354(6) . ?
C15 H15 0.9500 . ?
C15 C38 1.369(8) . ?
C16 H16 0.9500 . ?
C16 C73 1.369(10) . ?
C17 C29 1.399(7) . ?
C17 C37 1.445(7) . ?
C17 C49 1.391(8) . ?
C18 H18 0.9500 . ?
C18 C72 1.366(10) . ?
C18 C75 1.394(11) 3_757 ?
C19 C46 1.396(8) . ?
C19 C58 1.402(7) . ?
C20 C40 1.375(7) . ?
C20 C52 1.394(8) . ?
C21 H21 0.9500 . ?
C21 C30 1.382(8) . ?
C21 C66 1.384(8) . ?
C23 C26 1.469(7) . ?
C23 C28 1.399(7) . ?
C25 H25 0.9500 . ?
C25 C28 1.380(7) . ?
C25 C31 1.405(7) . ?
C26 C42 1.372(7) . ?
C27 H27 0.9500 . ?
C27 C41 1.400(7) . ?
C27 C49 1.366(8) . ?
C28 H28 0.9500 . ?
C29 C34 1.412(7) . ?
C30 H30 0.9500 . ?
C30 C46 1.387(8) . ?
C31 C32 1.437(7) . ?
C31 C34 1.392(7) . ?
C32 H32 0.9500 . ?
C32 C37 1.344(8) . ?
C33 C55 1.397(8) . ?
C33 C62 1.374(8) . ?
C35 H35 0.9500 . ?
C35 C47 1.366(8) . ?
C35 C61 1.406(8) . ?
C36 C44 1.383(8) . ?
C36 C53 1.402(8) . ?
C37 H37 0.9500 . ?
C38 C54 1.391(8) . ?
C39 H39 0.9500 . ?
C39 C55 1.380(8) . ?
C39 C70 1.373(9) . ?
C40 H40 0.9500 . ?
C40 C59 1.392(8) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C42 C47 1.381(8) . ?
C43 C67 1.393(8) . ?
C43 C68 1.389(8) . ?
C44 H44 0.9500 . ?
C44 C60 1.395(8) . ?
C45 H45 0.9500 . ?
C45 C57 1.365(9) . ?
C45 C65 1.396(9) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C48 C53 1.385(8) . ?
C48 C69 1.376(9) . ?
C49 H49 0.9500 . ?
C52 H52 0.9500 . ?
C52 C64 1.377(8) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C54 C73 1.387(8) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
C56 C62 1.381(8) . ?
C56 C70 1.382(9) . ?
C57 H57 0.9500 . ?
C57 C67 1.387(8) . ?
C58 H58 0.9500 . ?
C58 C66 1.374(8) . ?
C59 H59 0.9500 . ?
C59 C63 1.373(8) . ?
C60 H60 0.9500 . ?
C60 C69 1.375(9) . ?
C62 H62 0.9500 . ?
C63 H63 0.9500 . ?
C63 C64 1.378(9) . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
C65 C68 1.382(8) . ?
C66 H66 0.9500 . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 H69 0.9500 . ?
C70 H70 0.9500 . ?
C72 H72 0.9500 . ?
C72 C75 1.352(11) . ?
C73 H73 0.9500 . ?
C75 C18 1.395(11) 3_757 ?
C75 H75 0.9500 . ?
C80 H80 0.9500 . ?
C80 C76 1.3900 . ?
C80 C74 1.3900 . ?
C76 H76 0.9500 . ?
C76 C51 1.3900 . ?
C51 H51 0.9500 . ?
C51 C2 1.3900 . ?
C2 H2 0.9500 . ?
C2 C50 1.3900 . ?
C50 H50 0.9500 . ?
C50 C74 1.3900 . ?
C74 H74 0.9500 . ?

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
P3 Ru1 Cl2 91.23(5) . . ?
P3 Ru1 P4 178.74(5) . . ?
P4 Ru1 Cl2 87.52(5) . . ?
N10 Ru1 Cl2 101.37(11) . . ?
N10 Ru1 P3 87.78(12) . . ?
N10 Ru1 P4 92.39(12) . . ?
N10 Ru1 N11 158.13(16) . . ?
N11 Ru1 Cl2 100.49(12) . . ?
N11 Ru1 P3 91.02(12) . . ?
N11 Ru1 P4 89.29(12) . . ?
N14 Ru1 Cl2 176.42(12) . . ?
N14 Ru1 P3 91.97(12) . . ?
N14 Ru1 P4 89.29(12) . . ?
N14 Ru1 N10 80.37(16) . . ?
N14 Ru1 N11 77.84(16) . . ?
C33 P3 Ru1 119.36(18) . . ?
C33 P3 C38 98.1(2) . . ?
C38 P3 Ru1 119.79(19) . . ?
C43 P3 Ru1 108.19(17) . . ?
C43 P3 C33 105.5(2) . . ?
C43 P3 C38 104.1(3) . . ?
C19 P4 Ru1 110.65(17) . . ?
C19 P4 C20 100.8(2) . . ?
C19 P4 C36 109.7(2) . . ?
C20 P4 Ru1 121.64(18) . . ?
C20 P4 C36 100.3(2) . . ?
C36 P4 Ru1 112.67(17) . . ?
F9 P5 F7 179.6(2) . . ?
F12 P5 F7 90.6(2) . . ?
F12 P5 F9 89.1(2) . . ?
F12 P5 F13 89.4(2) . . ?
F12 P5 F22 89.1(3) . . ?
F13 P5 F7 89.3(2) . . ?
F13 P5 F9 90.4(2) . . ?
F22 P5 F7 89.6(2) . . ?
F22 P5 F9 90.6(3) . . ?
F22 P5 F13 178.2(3) . . ?
F24 P5 F7 89.3(3) . . ?
F24 P5 F9 90.9(2) . . ?
F24 P5 F12 179.7(4) . . ?
F24 P5 F13 90.3(3) . . ?
F24 P5 F22 91.2(3) . . ?
C15 C6 H6 120.6 . . ?
C16 C6 H6 120.6 . . ?
C16 C6 C15 118.8(6) . . ?
C61 O8 H8 109.5 . . ?
C29 N10 Ru1 109.7(3) . . ?
C41 N10 Ru1 133.9(3) . . ?
C41 N10 C29 116.4(4) . . ?
C26 N11 Ru1 113.0(3) . . ?
C61 N11 Ru1 129.5(4) . . ?
C61 N11 C26 117.5(4) . . ?
C23 N14 Ru1 121.7(3) . . ?
C23 N14 C34 120.9(4) . . ?
C34 N14 Ru1 117.4(3) . . ?
C6 C15 H15 119.9 . . ?
C38 C15 C6 120.2(6) . . ?
C38 C15 H15 119.9 . . ?
C6 C16 H16 119.6 . . ?
C73 C16 C6 120.8(6) . . ?
C73 C16 H16 119.6 . . ?
C29 C17 C37 117.4(5) . . ?
C49 C17 C29 117.7(5) . . ?
C49 C17 C37 124.8(5) . . ?
C72 C18 H18 120.4 . . ?
C72 C18 C75 119.2(8) . 3_757 ?
C75 C18 H18 120.4 3_757 . ?
C46 C19 P4 123.0(4) . . ?
C46 C19 C58 117.9(5) . . ?
C58 C19 P4 118.2(4) . . ?
C40 C20 P4 122.7(4) . . ?
C40 C20 C52 119.3(5) . . ?
C52 C20 P4 118.0(4) . . ?
C30 C21 H21 120.2 . . ?
C30 C21 C66 119.6(5) . . ?
C66 C21 H21 120.2 . . ?
N14 C23 C26 112.8(4) . . ?
N14 C23 C28 120.1(5) . . ?
C28 C23 C26 127.1(5) . . ?
C28 C25 H25 119.7 . . ?
C28 C25 C31 120.7(5) . . ?
C31 C25 H25 119.7 . . ?
N11 C26 C23 114.6(4) . . ?
C42 C26 N11 122.3(5) . . ?
C42 C26 C23 123.1(5) . . ?
C41 C27 H27 120.2 . . ?
C49 C27 H27 120.2 . . ?
C49 C27 C41 119.5(5) . . ?
C23 C28 H28 120.3 . . ?
C25 C28 C23 119.4(5) . . ?
C25 C28 H28 120.3 . . ?
N10 C29 C17 123.1(5) . . ?
N10 C29 C34 117.1(4) . . ?
C17 C29 C34 119.7(5) . . ?
C21 C30 H30 119.8 . . ?
C21 C30 C46 120.4(5) . . ?
C46 C30 H30 119.8 . . ?
C25 C31 C32 126.0(5) . . ?
C34 C31 C25 116.7(5) . . ?
C34 C31 C32 117.3(5) . . ?
C31 C32 H32 119.6 . . ?
C37 C32 C31 120.8(5) . . ?
C37 C32 H32 119.6 . . ?
C55 C33 P3 116.0(4) . . ?
C62 C33 P3 125.0(4) . . ?
C62 C33 C55 118.5(5) . . ?
N14 C34 C29 115.5(4) . . ?
N14 C34 C31 122.2(5) . . ?
C31 C34 C29 122.4(5) . . ?
C47 C35 H35 120.5 . . ?
C47 C35 C61 119.0(5) . . ?
C61 C35 H35 120.5 . . ?
C44 C36 P4 126.1(4) . . ?
C44 C36 C53 118.5(5) . . ?
C53 C36 P4 115.0(4) . . ?
C17 C37 H37 118.9 . . ?
C32 C37 C17 122.3(5) . . ?
C32 C37 H37 118.9 . . ?
C15 C38 P3 121.6(4) . . ?
C15 C38 C54 120.4(5) . . ?
C54 C38 P3 117.7(5) . . ?
C55 C39 H39 119.8 . . ?
C70 C39 H39 119.8 . . ?
C70 C39 C55 120.3(6) . . ?
C20 C40 H40 119.8 . . ?
C20 C40 C59 120.4(5) . . ?
C59 C40 H40 119.8 . . ?
N10 C41 C27 123.5(5) . . ?
N10 C41 H41 118.3 . . ?
C27 C41 H41 118.3 . . ?
C26 C42 H42 120.5 . . ?
C26 C42 C47 119.0(5) . . ?
C47 C42 H42 120.5 . . ?
C67 C43 P3 119.9(4) . . ?
C68 C43 P3 119.9(4) . . ?
C68 C43 C67 119.4(5) . . ?
C36 C44 H44 119.9 . . ?
C36 C44 C60 120.2(6) . . ?
C60 C44 H44 119.9 . . ?
C57 C45 H45 120.3 . . ?
C57 C45 C65 119.5(6) . . ?
C65 C45 H45 120.3 . . ?
C19 C46 H46 119.7 . . ?
C30 C46 C19 120.6(5) . . ?
C30 C46 H46 119.7 . . ?
C35 C47 C42 119.7(5) . . ?
C35 C47 H47 120.1 . . ?
C42 C47 H47 120.1 . . ?
C53 C48 H48 119.7 . . ?
C69 C48 H48 119.7 . . ?
C69 C48 C53 120.6(6) . . ?
C17 C49 H49 120.2 . . ?
C27 C49 C17 119.7(5) . . ?
C27 C49 H49 120.2 . . ?
C20 C52 H52 120.0 . . ?
C64 C52 C20 120.0(6) . . ?
C64 C52 H52 120.0 . . ?
C36 C53 H53 119.8 . . ?
C48 C53 C36 120.4(6) . . ?
C48 C53 H53 119.8 . . ?
C38 C54 H54 120.3 . . ?
C73 C54 C38 119.4(6) . . ?
C73 C54 H54 120.3 . . ?
C33 C55 H55 119.8 . . ?
C39 C55 C33 120.3(6) . . ?
C39 C55 H55 119.8 . . ?
C62 C56 H56 120.2 . . ?
C62 C56 C70 119.5(6) . . ?
C70 C56 H56 120.2 . . ?
C45 C57 H57 119.3 . . ?
C45 C57 C67 121.3(6) . . ?
C67 C57 H57 119.3 . . ?
C19 C58 H58 119.4 . . ?
C66 C58 C19 121.2(5) . . ?
C66 C58 H58 119.4 . . ?
C40 C59 H59 120.1 . . ?
C63 C59 C40 119.9(5) . . ?
C63 C59 H59 120.1 . . ?
C44 C60 H60 119.6 . . ?
C69 C60 C44 120.9(6) . . ?
C69 C60 H60 119.6 . . ?
O8 C61 N11 120.7(5) . . ?
O8 C61 C35 116.8(5) . . ?
N11 C61 C35 122.4(5) . . ?
C33 C62 C56 121.4(6) . . ?
C33 C62 H62 119.3 . . ?
C56 C62 H62 119.3 . . ?
C59 C63 H63 120.0 . . ?
C59 C63 C64 120.1(6) . . ?
C64 C63 H63 120.0 . . ?
C52 C64 C63 120.3(6) . . ?
C52 C64 H64 119.8 . . ?
C63 C64 H64 119.8 . . ?
C45 C65 H65 120.1 . . ?
C68 C65 C45 119.9(6) . . ?
C68 C65 H65 120.1 . . ?
C21 C66 H66 119.9 . . ?
C58 C66 C21 120.2(5) . . ?
C58 C66 H66 119.9 . . ?
C43 C67 H67 120.3 . . ?
C57 C67 C43 119.5(6) . . ?
C57 C67 H67 120.3 . . ?
C43 C68 H68 119.7 . . ?
C65 C68 C43 120.5(6) . . ?
C65 C68 H68 119.7 . . ?
C48 C69 H69 120.3 . . ?
C60 C69 C48 119.3(5) . . ?
C60 C69 H69 120.3 . . ?
C39 C70 C56 119.9(6) . . ?
C39 C70 H70 120.0 . . ?
C56 C70 H70 120.0 . . ?
C18 C72 H72 119.1 . . ?
C75 C72 C18 121.8(7) . . ?
C75 C72 H72 119.1 . . ?
C16 C73 C54 120.4(6) . . ?
C16 C73 H73 119.8 . . ?
C54 C73 H73 119.8 . . ?
C18 C75 H75 120.5 3_757 . ?
C72 C75 C18 119.0(7) . 3_757 ?
C72 C75 H75 120.5 . . ?
C76 C80 H80 120.0 . . ?
C76 C80 C74 120.0 . . ?
C74 C80 H80 120.0 . . ?
C80 C76 H76 120.0 . . ?
C51 C76 C80 120.0 . . ?
C51 C76 H76 120.0 . . ?
C76 C51 H51 120.0 . . ?
C2 C51 C76 120.0 . . ?
C2 C51 H51 120.0 . . ?
C51 C2 H2 120.0 . . ?
C51 C2 C50 120.0 . . ?
C50 C2 H2 120.0 . . ?
C2 C50 H50 120.0 . . ?
C74 C50 C2 120.0 . . ?
C74 C50 H50 120.0 . . ?
C80 C74 H74 120.0 . . ?
C50 C74 C80 120.0 . . ?
C50 C74 H74 120.0 . . ?

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
Ru1 P3 C33 C55 -60.3(5) . . . . ?
Ru1 P3 C33 C62 127.9(5) . . . . ?
Ru1 P3 C38 C15 13.3(5) . . . . ?
Ru1 P3 C38 C54 -172.1(4) . . . . ?
Ru1 P3 C43 C67 95.2(4) . . . . ?
Ru1 P3 C43 C68 -74.7(4) . . . . ?
Ru1 P4 C19 C46 -72.2(5) . . . . ?
Ru1 P4 C19 C58 97.1(4) . . . . ?
Ru1 P4 C20 C40 -2.3(5) . . . . ?
Ru1 P4 C20 C52 179.4(4) . . . . ?
Ru1 P4 C36 C44 97.3(5) . . . . ?
Ru1 P4 C36 C53 -76.0(4) . . . . ?
Ru1 N10 C29 C17 -177.5(4) . . . . ?
Ru1 N10 C29 C34 1.8(5) . . . . ?
Ru1 N10 C41 C27 175.3(4) . . . . ?
Ru1 N11 C26 C23 -0.2(5) . . . . ?
Ru1 N11 C26 C42 -178.7(4) . . . . ?
Ru1 N11 C61 O8 0.0(7) . . . . ?
Ru1 N11 C61 C35 178.7(4) . . . . ?
Ru1 N14 C23 C26 -4.0(6) . . . . ?
Ru1 N14 C23 C28 176.6(4) . . . . ?
Ru1 N14 C34 C29 1.5(6) . . . . ?
Ru1 N14 C34 C31 -178.0(4) . . . . ?
P3 C33 C55 C39 -172.2(4) . . . . ?
P3 C33 C62 C56 172.3(5) . . . . ?
P3 C38 C54 C73 -174.4(5) . . . . ?
P3 C43 C67 C57 -169.4(4) . . . . ?
P3 C43 C68 C65 169.6(4) . . . . ?
P4 C19 C46 C30 170.4(4) . . . . ?
P4 C19 C58 C66 -170.1(4) . . . . ?
P4 C20 C40 C59 -177.2(4) . . . . ?
P4 C20 C52 C64 177.3(5) . . . . ?
P4 C36 C44 C60 -172.5(5) . . . . ?
P4 C36 C53 C48 172.9(4) . . . . ?
C6 C15 C38 P3 174.6(4) . . . . ?
C6 C15 C38 C54 0.2(9) . . . . ?
C6 C16 C73 C54 -1.3(11) . . . . ?
N10 C29 C34 N14 -2.3(7) . . . . ?
N10 C29 C34 C31 177.3(5) . . . . ?
N11 C26 C42 C47 -0.4(8) . . . . ?
N14 C23 C26 N11 2.5(6) . . . . ?
N14 C23 C26 C42 -179.0(5) . . . . ?
N14 C23 C28 C25 1.6(7) . . . . ?
C15 C6 C16 C73 1.7(11) . . . . ?
C15 C38 C54 C73 0.2(9) . . . . ?
C16 C6 C15 C38 -1.2(9) . . . . ?
C17 C29 C34 N14 177.1(4) . . . . ?
C17 C29 C34 C31 -3.3(8) . . . . ?
C18 C72 C75 C18 0.1(11) . . . 3_757 ?
C19 P4 C20 C40 120.3(5) . . . . ?
C19 P4 C20 C52 -58.0(5) . . . . ?
C19 P4 C36 C44 -26.5(6) . . . . ?
C19 P4 C36 C53 160.2(4) . . . . ?
C19 C58 C66 C21 0.5(8) . . . . ?
C20 P4 C19 C46 157.8(4) . . . . ?
C20 P4 C19 C58 -32.9(5) . . . . ?
C20 P4 C36 C44 -131.9(5) . . . . ?
C20 P4 C36 C53 54.8(4) . . . . ?
C20 C40 C59 C63 0.0(8) . . . . ?
C20 C52 C64 C63 0.0(10) . . . . ?
C21 C30 C46 C19 -2.1(8) . . . . ?
C23 N14 C34 C29 -180.0(4) . . . . ?
C23 N14 C34 C31 0.5(7) . . . . ?
C23 C26 C42 C47 -178.7(5) . . . . ?
C25 C31 C32 C37 -179.0(5) . . . . ?
C25 C31 C34 N14 1.2(8) . . . . ?
C25 C31 C34 C29 -178.4(5) . . . . ?
C26 N11 C61 O8 -176.9(5) . . . . ?
C26 N11 C61 C35 1.8(7) . . . . ?
C26 C23 C28 C25 -177.7(5) . . . . ?
C26 C42 C47 C35 1.5(8) . . . . ?
C28 C23 C26 N11 -178.1(5) . . . . ?
C28 C23 C26 C42 0.3(8) . . . . ?
C28 C25 C31 C32 178.4(5) . . . . ?
C28 C25 C31 C34 -1.4(8) . . . . ?
C29 N10 C41 C27 -1.2(7) . . . . ?
C29 C17 C37 C32 0.4(8) . . . . ?
C29 C17 C49 C27 -2.8(8) . . . . ?
C30 C21 C66 C58 -1.5(9) . . . . ?
C31 C25 C28 C23 0.1(8) . . . . ?
C31 C32 C37 C17 -2.0(8) . . . . ?
C32 C31 C34 N14 -178.7(5) . . . . ?
C32 C31 C34 C29 1.8(8) . . . . ?
C33 P3 C38 C15 -117.4(5) . . . . ?
C33 P3 C38 C54 57.2(5) . . . . ?
C33 P3 C43 C67 -136.0(4) . . . . ?
C33 P3 C43 C68 54.1(5) . . . . ?
C34 N14 C23 C26 177.6(4) . . . . ?
C34 N14 C23 C28 -1.9(7) . . . . ?
C34 C31 C32 C37 0.9(8) . . . . ?
C36 P4 C19 C46 52.7(5) . . . . ?
C36 P4 C19 C58 -138.0(4) . . . . ?
C36 P4 C20 C40 -127.2(5) . . . . ?
C36 P4 C20 C52 54.5(5) . . . . ?
C36 C44 C60 C69 -0.1(9) . . . . ?
C37 C17 C29 N10 -178.5(5) . . . . ?
C37 C17 C29 C34 2.2(7) . . . . ?
C37 C17 C49 C27 177.9(5) . . . . ?
C38 P3 C33 C55 70.7(5) . . . . ?
C38 P3 C33 C62 -101.1(5) . . . . ?
C38 P3 C43 C67 -33.3(5) . . . . ?
C38 P3 C43 C68 156.8(4) . . . . ?
C38 C54 C73 C16 0.3(10) . . . . ?
C40 C20 C52 C64 -1.1(9) . . . . ?
C40 C59 C63 C64 -1.1(9) . . . . ?
C41 N10 C29 C17 -0.2(7) . . . . ?
C41 N10 C29 C34 179.2(4) . . . . ?
C41 C27 C49 C17 1.5(8) . . . . ?
C43 P3 C33 C55 177.9(4) . . . . ?
C43 P3 C33 C62 6.0(6) . . . . ?
C43 P3 C38 C15 134.3(5) . . . . ?
C43 P3 C38 C54 -51.1(5) . . . . ?
C44 C36 C53 C48 -0.9(8) . . . . ?
C44 C60 C69 C48 0.0(10) . . . . ?
C45 C57 C67 C43 -0.3(8) . . . . ?
C45 C65 C68 C43 -0.2(8) . . . . ?
C46 C19 C58 C66 -0.3(8) . . . . ?
C47 C35 C61 O8 178.1(5) . . . . ?
C47 C35 C61 N11 -0.7(8) . . . . ?
C49 C17 C29 N10 2.2(8) . . . . ?
C49 C17 C29 C34 -177.1(5) . . . . ?
C49 C17 C37 C32 179.7(5) . . . . ?
C49 C27 C41 N10 0.6(8) . . . . ?
C52 C20 C40 C59 1.1(8) . . . . ?
C53 C36 C44 C60 0.6(8) . . . . ?
C53 C48 C69 C60 -0.3(9) . . . . ?
C55 C33 C62 C56 0.6(9) . . . . ?
C55 C39 C70 C56 -0.5(9) . . . . ?
C57 C45 C65 C68 0.5(9) . . . . ?
C58 C19 C46 C30 1.1(8) . . . . ?
C59 C63 C64 C52 1.1(10) . . . . ?
C61 N11 C26 C23 177.2(4) . . . . ?
C61 N11 C26 C42 -1.3(7) . . . . ?
C61 C35 C47 C42 -1.0(9) . . . . ?
C62 C33 C55 C39 0.2(8) . . . . ?
C62 C56 C70 C39 1.3(10) . . . . ?
C65 C45 C57 C67 -0.2(9) . . . . ?
C66 C21 C30 C46 2.3(8) . . . . ?
C67 C43 C68 C65 -0.3(8) . . . . ?
C68 C43 C67 C57 0.6(8) . . . . ?
C69 C48 C53 C36 0.8(9) . . . . ?
C70 C39 C55 C33 -0.3(9) . . . . ?
C70 C56 C62 C33 -1.4(10) . . . . ?
C75 C18 C72 C75 -0.1(11) 3_757 . . . ?
C80 C76 C51 C2 0.0 . . . . ?
C76 C80 C74 C50 0.0 . . . . ?
C76 C51 C2 C50 0.0 . . . . ?
C51 C2 C50 C74 0.0 . . . . ?
C2 C50 C74 C80 0.0 . . . . ?
C74 C80 C76 C51 0.0 . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
