# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
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# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
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# Audit and citation data items may have been added by the CCDC. 
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data_1a_ClO4
_database_code_depnum_ccdc_archive 'CCDC 1515770'
_audit_update_record             
;
2016-11-09 deposited with the CCDC.
2017-03-17 downloaded from the CCDC.
;
_audit_creation_date             2016-11-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C63 H51 N2 O3 P2 Ru, C H2 Cl2, Cl O4'
_chemical_formula_sum            'C64 H53 Cl3 N2 O7 P2 Ru'
_chemical_formula_weight         1231.44
_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'
Cl Cl 0.1484 0.1585 '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'
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'

_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   11.387(3)
_cell_length_b                   23.226(6)
_cell_length_c                   20.986(6)
_cell_angle_alpha                90
_cell_angle_beta                 95.277(5)
_cell_angle_gamma                90
_cell_volume                     5527(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5739
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.2
_cell_measurement_theta_min      3.053
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.545
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2528
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0905
_diffrn_reflns_av_unetI/netI     0.0733
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            49763
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.053
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8784
_reflns_number_total             9711
_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       'CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_refine_diff_density_max         1.882
_refine_diff_density_min         -1.386
_refine_diff_density_rms         0.126
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.157
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     712
_refine_ls_number_reflns         9711
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0988
_refine_ls_R_factor_gt           0.0897
_refine_ls_restrained_S_all      1.157
_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)+(0.0696P)²+39.0022P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2060
_refine_ls_wR_factor_ref         0.2127
_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. Uiso/Uaniso restraints and constraints
Uanis(O4) = Uanis(O5)
3.a Secondary CH2 refined with riding coordinates:
 C64(H64A,H64B)
3.b Aromatic/amide H refined with riding coordinates:
 C18(H18), C45(H45), C14(H14), C47(H47), C53(H53), C59(H59), C24(H24),
 C37(H37), C35(H35), C39(H39), C29(H29), C57(H57), C15(H15), C38(H38), C63(H63),
  C33(H33), C17(H17), C60(H60), C41(H41), C54(H54), C61(H61), C62(H62),
 C50(H50), C48(H48), C51(H51), C36(H36), C44(H44), C20(H20), C49(H49), C3(H3),
 C42(H42), C9(H9), C23(H23), C32(H32), C43(H43), C8(H8), C31(H31), C30(H30),
 C7(H7), C5(H5), C4(H4), C21(H21), C56(H56), C55(H55)
3.c Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C26(H26A,H26B,H26C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.30119(4) 0.53786(2) 0.77092(2) 0.01569(16) Uani 1 1 d . . . . .
P2 P 0.51086(14) 0.53696(7) 0.77225(8) 0.0173(3) Uani 1 1 d . . . . .
P1 P 0.09266(14) 0.55313(7) 0.76721(8) 0.0184(4) Uani 1 1 d . . . . .
Cl3 Cl 0.3794(3) 0.68326(11) 0.24828(17) 0.0792(9) Uani 1 1 d . . . . .
Cl1 Cl 0.5477(3) 0.74888(13) 0.58627(14) 0.0787(9) Uani 1 1 d . . . . .
Cl2 Cl 0.4801(2) 0.71897(13) 0.37448(17) 0.0798(9) Uani 1 1 d . . . . .
N2 N 0.2930(5) 0.4461(2) 0.7872(2) 0.0208(12) Uani 1 1 d . . . . .
O1 O 0.3344(4) 0.5905(2) 0.9013(2) 0.0332(12) Uani 1 1 d . . . . .
N1 N 0.2679(4) 0.5020(2) 0.6756(2) 0.0173(11) Uani 1 1 d . . . . .
O3 O 0.4073(5) 0.3468(2) 1.0263(2) 0.0406(13) Uani 1 1 d . . . . .
C11 C 0.2701(5) 0.4152(3) 0.7361(3) 0.0206(14) Uani 1 1 d . . . . .
C1 C 0.2564(5) 0.4465(3) 0.6730(3) 0.0208(14) Uani 1 1 d . . . . .
C25 C 0.3220(6) 0.5692(3) 0.8514(3) 0.0236(14) Uani 1 1 d . . . . .
O2 O 0.1477(6) 0.6506(3) 0.4713(3) 0.0599(19) Uani 1 1 d . . . . .
C13 C 0.3218(5) 0.4180(3) 0.8474(3) 0.0209(14) Uani 1 1 d . . . . .
C40 C 0.0068(5) 0.4900(3) 0.7394(3) 0.0222(14) Uani 1 1 d . . . . .
C58 C 0.5815(5) 0.6070(3) 0.7907(3) 0.0207(13) Uani 1 1 d . . . . .
C52 C 0.5616(5) 0.5165(3) 0.6947(3) 0.0195(13) Uani 1 1 d . . . . .
C18 C 0.2704(6) 0.4380(3) 0.9015(3) 0.0228(14) Uani 1 1 d . . . . .
H18 H 0.2164 0.4681 0.8979 0.027 Uiso 1 1 calc R . . . .
C45 C 0.0185(6) 0.4377(3) 0.7737(3) 0.0239(14) Uani 1 1 d . . . . .
H45 H 0.0657 0.4364 0.8123 0.029 Uiso 1 1 calc R . . . .
C28 C 0.0410(5) 0.5716(3) 0.8450(3) 0.0213(14) Uani 1 1 d . . . . .
C46 C 0.5906(6) 0.4893(3) 0.8314(3) 0.0203(13) Uani 1 1 d . . . . .
C14 C 0.4063(5) 0.3752(3) 0.8545(3) 0.0216(14) Uani 1 1 d . . . . .
H14 H 0.4424 0.3629 0.8189 0.026 Uiso 1 1 calc R . . . .
C47 C 0.5673(6) 0.4929(3) 0.8953(3) 0.0250(15) Uani 1 1 d . . . . .
H47 H 0.5086 0.5178 0.9066 0.030 Uiso 1 1 calc R . . . .
C53 C 0.5361(6) 0.4607(3) 0.6718(3) 0.0263(15) Uani 1 1 d . . . . .
H53 H 0.5045 0.4334 0.6978 0.032 Uiso 1 1 calc R . . . .
C19 C 0.2439(6) 0.5368(3) 0.6186(3) 0.0219(14) Uani 1 1 d . . . . .
C10 C 0.2487(6) 0.3539(3) 0.7218(3) 0.0232(14) Uani 1 1 d . . . . .
C34 C 0.0287(6) 0.6119(3) 0.7171(3) 0.0215(14) Uani 1 1 d . . . . .
C59 C 0.5356(6) 0.6561(3) 0.7590(3) 0.0251(15) Uani 1 1 d . . . . .
H59 H 0.4691 0.6534 0.7300 0.030 Uiso 1 1 calc R . . . .
C24 C 0.3189(6) 0.5809(3) 0.6067(3) 0.0237(14) Uani 1 1 d . . . . .
H24 H 0.3891 0.5852 0.6327 0.028 Uiso 1 1 calc R . . . .
C37 C -0.0753(7) 0.7001(3) 0.6405(4) 0.0339(17) Uani 1 1 d . . . . .
H37 H -0.1095 0.7293 0.6147 0.041 Uiso 1 1 calc R . . . .
C35 C -0.0923(6) 0.6230(3) 0.7155(3) 0.0268(15) Uani 1 1 d . . . . .
H35 H -0.1387 0.6008 0.7402 0.032 Uiso 1 1 calc R . . . .
C39 C 0.0967(6) 0.6463(3) 0.6812(3) 0.0235(14) Uani 1 1 d . . . . .
H39 H 0.1777 0.6404 0.6830 0.028 Uiso 1 1 calc R . . . .
C29 C -0.0251(6) 0.5348(3) 0.8805(3) 0.0259(15) Uani 1 1 d . . . . .
H29 H -0.0502 0.4994 0.8635 0.031 Uiso 1 1 calc R . . . .
C2 C 0.2399(6) 0.4024(3) 0.6222(3) 0.0242(15) Uani 1 1 d . . . . .
C57 C 0.6129(6) 0.5552(3) 0.6567(3) 0.0251(15) Uani 1 1 d . . . . .
H57 H 0.6334 0.5916 0.6725 0.030 Uiso 1 1 calc R . . . .
C15 C 0.4385(6) 0.3503(3) 0.9133(3) 0.0269(15) Uani 1 1 d . . . . .
H15 H 0.4966 0.3221 0.9172 0.032 Uiso 1 1 calc R . . . .
C38 C 0.0447(7) 0.6897(3) 0.6421(3) 0.0300(16) Uani 1 1 d . . . . .
H38 H 0.0910 0.7118 0.6172 0.036 Uiso 1 1 calc R . . . .
C63 C 0.6804(6) 0.6121(3) 0.8334(3) 0.0247(14) Uani 1 1 d . . . . .
H63 H 0.7125 0.5796 0.8541 0.030 Uiso 1 1 calc R . . . .
C33 C 0.0746(6) 0.6255(3) 0.8709(3) 0.0280(15) Uani 1 1 d . . . . .
H33 H 0.1160 0.6510 0.8471 0.034 Uiso 1 1 calc R . . . .
C17 C 0.3007(6) 0.4124(3) 0.9604(3) 0.0272(15) Uani 1 1 d . . . . .
H17 H 0.2657 0.4250 0.9962 0.033 Uiso 1 1 calc R . . . .
C60 C 0.5896(6) 0.7089(3) 0.7710(4) 0.0320(17) Uani 1 1 d . . . . .
H60 H 0.5593 0.7415 0.7496 0.038 Uiso 1 1 calc R . . . .
C41 C -0.0657(6) 0.4900(3) 0.6809(3) 0.0285(16) Uani 1 1 d . . . . .
H41 H -0.0766 0.5238 0.6574 0.034 Uiso 1 1 calc R . . . .
C12 C 0.2340(5) 0.3491(3) 0.6547(3) 0.0242(15) Uani 1 1 d . . . . .
C54 C 0.5588(6) 0.4467(3) 0.6093(3) 0.0324(17) Uani 1 1 d . . . . .
H54 H 0.5412 0.4100 0.5935 0.039 Uiso 1 1 calc R . . . .
C61 C 0.6868(6) 0.7137(3) 0.8139(4) 0.0317(17) Uani 1 1 d . . . . .
H61 H 0.7223 0.7494 0.8216 0.038 Uiso 1 1 calc R . . . .
C62 C 0.7324(6) 0.6657(3) 0.8458(4) 0.0338(18) Uani 1 1 d . . . . .
H62 H 0.7978 0.6691 0.8756 0.041 Uiso 1 1 calc R . . . .
C50 C 0.7399(6) 0.4177(3) 0.8628(4) 0.0339(17) Uani 1 1 d . . . . .
H50 H 0.7968 0.3916 0.8518 0.041 Uiso 1 1 calc R . . . .
C48 C 0.6289(6) 0.4606(3) 0.9419(3) 0.0320(17) Uani 1 1 d . . . . .
H48 H 0.6127 0.4641 0.9844 0.038 Uiso 1 1 calc R . . . .
C51 C 0.6796(6) 0.4517(3) 0.8155(3) 0.0255(15) Uani 1 1 d . . . . .
H51 H 0.6985 0.4493 0.7734 0.031 Uiso 1 1 calc R . . . .
C36 C -0.1444(6) 0.6669(3) 0.6773(4) 0.0318(17) Uani 1 1 d . . . . .
H36 H -0.2250 0.6738 0.6766 0.038 Uiso 1 1 calc R . . . .
C44 C -0.0386(6) 0.3888(3) 0.7510(4) 0.0337(17) Uani 1 1 d . . . . .
H44 H -0.0305 0.3549 0.7746 0.040 Uiso 1 1 calc R . . . .
C16 C 0.3836(6) 0.3675(3) 0.9666(3) 0.0278(15) Uani 1 1 d . . . . .
C20 C 0.1382(7) 0.5297(3) 0.5796(3) 0.0314(16) Uani 1 1 d . . . . .
H20 H 0.0875 0.4994 0.5865 0.038 Uiso 1 1 calc R . . . .
C49 C 0.7154(6) 0.4226(3) 0.9256(3) 0.0324(17) Uani 1 1 d . . . . .
H49 H 0.7568 0.4006 0.9571 0.039 Uiso 1 1 calc R . . . .
C3 C 0.2357(7) 0.4036(4) 0.5567(3) 0.0355(18) Uani 1 1 d . . . . .
H3 H 0.2392 0.4381 0.5346 0.043 Uiso 1 1 calc R . . . .
C42 C -0.1204(7) 0.4398(3) 0.6587(4) 0.0358(18) Uani 1 1 d . . . . .
H42 H -0.1663 0.4399 0.6197 0.043 Uiso 1 1 calc R . . . .
C9 C 0.2342(6) 0.3049(3) 0.7581(4) 0.0298(16) Uani 1 1 d . . . . .
H9 H 0.2376 0.3069 0.8025 0.036 Uiso 1 1 calc R . . . .
C23 C 0.2923(7) 0.6192(3) 0.5569(3) 0.0350(18) Uani 1 1 d . . . . .
H23 H 0.3449 0.6484 0.5489 0.042 Uiso 1 1 calc R . . . .
C32 C 0.0473(7) 0.6409(4) 0.9306(4) 0.0389(19) Uani 1 1 d . . . . .
H32 H 0.0717 0.6764 0.9475 0.047 Uiso 1 1 calc R . . . .
C43 C -0.1079(6) 0.3895(3) 0.6936(4) 0.0376(19) Uani 1 1 d . . . . .
H43 H -0.1462 0.3562 0.6784 0.045 Uiso 1 1 calc R . . . .
C8 C 0.2139(6) 0.2519(3) 0.7259(4) 0.039(2) Uani 1 1 d . . . . .
H8 H 0.2047 0.2190 0.7502 0.046 Uiso 1 1 calc R . . . .
C31 C -0.0171(6) 0.6037(4) 0.9663(3) 0.0360(19) Uani 1 1 d . . . . .
H31 H -0.0357 0.6143 1.0070 0.043 Uiso 1 1 calc R . . . .
C30 C -0.0531(6) 0.5508(3) 0.9407(3) 0.0307(16) Uani 1 1 d . . . . .
H30 H -0.0965 0.5260 0.9642 0.037 Uiso 1 1 calc R . . . .
C6 C 0.2188(6) 0.2964(3) 0.6225(4) 0.0348(18) Uani 1 1 d . . . . .
C7 C 0.2073(6) 0.2468(3) 0.6611(4) 0.042(2) Uani 1 1 d . . . . .
H7 H 0.1952 0.2108 0.6421 0.050 Uiso 1 1 calc R . . . .
C5 C 0.2189(8) 0.2989(4) 0.5540(4) 0.044(2) Uani 1 1 d . . . . .
H5 H 0.2142 0.2650 0.5302 0.053 Uiso 1 1 calc R . . . .
C22 C 0.1868(8) 0.6137(4) 0.5192(3) 0.039(2) Uani 1 1 d . . . . .
C4 C 0.2256(8) 0.3500(4) 0.5238(4) 0.041(2) Uani 1 1 d . . . . .
H4 H 0.2236 0.3502 0.4794 0.049 Uiso 1 1 calc R . . . .
C21 C 0.1108(7) 0.5694(4) 0.5298(3) 0.041(2) Uani 1 1 d . . . . .
H21 H 0.0406 0.5656 0.5038 0.049 Uiso 1 1 calc R . . . .
O7 O 0.4823(10) 0.7484(4) 0.5269(3) 0.105(3) Uani 1 1 d . . . . .
C27 C 0.4981(8) 0.3052(4) 1.0367(4) 0.044(2) Uani 1 1 d . . . . .
H27A H 0.4771 0.2715 1.0118 0.066 Uiso 1 1 calc GR . . . .
H27B H 0.5081 0.2953 1.0812 0.066 Uiso 1 1 calc GR . . . .
H27C H 0.5704 0.3208 1.0240 0.066 Uiso 1 1 calc GR . . . .
C56 C 0.6347(7) 0.5406(3) 0.5940(3) 0.0342(17) Uani 1 1 d . . . . .
H56 H 0.6680 0.5676 0.5682 0.041 Uiso 1 1 calc R . . . .
O5 O 0.5744(12) 0.6920(6) 0.6055(6) 0.158(4) Uani 1 1 d . . . . .
C55 C 0.6073(7) 0.4870(4) 0.5707(4) 0.0348(18) Uani 1 1 d . . . . .
H55 H 0.6211 0.4774 0.5290 0.042 Uiso 1 1 calc R . . . .
C64 C 0.4671(9) 0.7339(5) 0.2914(6) 0.069(3) Uani 1 1 d . . . . .
H64A H 0.4331 0.7719 0.2841 0.083 Uiso 1 1 calc R . . . .
H64B H 0.5450 0.7341 0.2761 0.083 Uiso 1 1 calc R . . . .
C26 C 0.2216(11) 0.6979(5) 0.4604(6) 0.082(4) Uani 1 1 d . . . . .
H26A H 0.1858 0.7207 0.4257 0.123 Uiso 1 1 calc GR . . . .
H26B H 0.2967 0.6840 0.4496 0.123 Uiso 1 1 calc GR . . . .
H26C H 0.2325 0.7210 0.4984 0.123 Uiso 1 1 calc GR . . . .
O6 O 0.6747(14) 0.7777(5) 0.5775(8) 0.195(8) Uani 1 1 d . . . . .
O4 O 0.4644(12) 0.7730(6) 0.6134(6) 0.158(4) Uani 1 1 d . . . . .
H H 0.311(6) 0.595(3) 0.748(3) 0.022(17) Uiso 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 P2 2.3852(18) . ?
Ru1 P1 2.3951(17) . ?
Ru1 N2 2.161(6) . ?
Ru1 N1 2.167(5) . ?
Ru1 C25 1.835(7) . ?
Ru1 H 1.43(7) . ?
P2 C58 1.839(7) . ?
P2 C52 1.839(6) . ?
P2 C46 1.840(6) . ?
P1 C40 1.827(7) . ?
P1 C28 1.836(7) . ?
P1 C34 1.833(7) . ?
Cl3 C64 1.742(11) . ?
Cl1 O7 1.392(7) . ?
Cl1 O5 1.407(11) . ?
Cl1 O6 1.619(16) . ?
Cl1 O4 1.279(10) . ?
Cl2 C64 1.771(12) . ?
N2 C11 1.298(8) . ?
N2 C13 1.433(8) . ?
O1 C25 1.155(8) . ?
N1 C1 1.298(8) . ?
N1 C19 1.449(8) . ?
O3 C16 1.347(8) . ?
O3 C27 1.416(9) . ?
C11 C1 1.505(9) . ?
C11 C10 1.470(9) . ?
C1 C2 1.477(9) . ?
O2 C22 1.363(9) . ?
O2 C26 1.416(14) . ?
C13 C18 1.405(9) . ?
C13 C14 1.381(9) . ?
C40 C45 1.413(9) . ?
C40 C41 1.414(9) . ?
C58 C59 1.398(9) . ?
C58 C63 1.378(9) . ?
C52 C53 1.403(9) . ?
C52 C57 1.369(9) . ?
C18 H18 0.9300 . ?
C18 C17 1.385(9) . ?
C45 H45 0.9300 . ?
C45 C44 1.372(10) . ?
C28 C29 1.399(10) . ?
C28 C33 1.403(10) . ?
C46 C47 1.393(9) . ?
C46 C51 1.401(9) . ?
C14 H14 0.9300 . ?
C14 C15 1.383(9) . ?
C47 H47 0.9300 . ?
C47 C48 1.374(9) . ?
C53 H53 0.9300 . ?
C53 C54 1.397(10) . ?
C19 C24 1.372(9) . ?
C19 C20 1.402(10) . ?
C10 C12 1.409(10) . ?
C10 C9 1.388(10) . ?
C34 C35 1.399(9) . ?
C34 C39 1.383(9) . ?
C59 H59 0.9300 . ?
C59 C60 1.384(10) . ?
C24 H24 0.9300 . ?
C24 C23 1.385(9) . ?
C37 H37 0.9300 . ?
C37 C38 1.386(10) . ?
C37 C36 1.388(11) . ?
C35 H35 0.9300 . ?
C35 C36 1.395(10) . ?
C39 H39 0.9300 . ?
C39 C38 1.396(9) . ?
C29 H29 0.9300 . ?
C29 C30 1.383(10) . ?
C2 C12 1.419(10) . ?
C2 C3 1.370(10) . ?
C57 H57 0.9300 . ?
C57 C56 1.402(10) . ?
C15 H15 0.9300 . ?
C15 C16 1.388(10) . ?
C38 H38 0.9300 . ?
C63 H63 0.9300 . ?
C63 C62 1.393(10) . ?
C33 H33 0.9300 . ?
C33 C32 1.367(10) . ?
C17 H17 0.9300 . ?
C17 C16 1.404(10) . ?
C60 H60 0.9300 . ?
C60 C61 1.366(10) . ?
C41 H41 0.9300 . ?
C41 C42 1.382(10) . ?
C12 C6 1.401(9) . ?
C54 H54 0.9300 . ?
C54 C55 1.385(11) . ?
C61 H61 0.9300 . ?
C61 C62 1.377(11) . ?
C62 H62 0.9300 . ?
C50 H50 0.9300 . ?
C50 C51 1.398(10) . ?
C50 C49 1.378(10) . ?
C48 H48 0.9300 . ?
C48 C49 1.387(11) . ?
C51 H51 0.9300 . ?
C36 H36 0.9300 . ?
C44 H44 0.9300 . ?
C44 C43 1.378(11) . ?
C20 H20 0.9300 . ?
C20 C21 1.407(11) . ?
C49 H49 0.9300 . ?
C3 H3 0.9300 . ?
C3 C4 1.423(11) . ?
C42 H42 0.9300 . ?
C42 C43 1.378(11) . ?
C9 H9 0.9300 . ?
C9 C8 1.412(11) . ?
C23 H23 0.9300 . ?
C23 C22 1.383(11) . ?
C32 H32 0.9300 . ?
C32 C31 1.395(12) . ?
C43 H43 0.9300 . ?
C8 H8 0.9300 . ?
C8 C7 1.361(12) . ?
C31 H31 0.9300 . ?
C31 C30 1.388(11) . ?
C30 H30 0.9300 . ?
C6 C7 1.423(11) . ?
C6 C5 1.439(12) . ?
C7 H7 0.9300 . ?
C5 H5 0.9300 . ?
C5 C4 1.351(12) . ?
C22 C21 1.376(12) . ?
C4 H4 0.9300 . ?
C21 H21 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C56 H56 0.9300 . ?
C56 C55 1.365(11) . ?
C55 H55 0.9300 . ?
C64 H64A 0.9700 . ?
C64 H64B 0.9700 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Ru1 P1 171.89(6) . . ?
P2 Ru1 H 84(3) . . ?
P1 Ru1 H 88(3) . . ?
N2 Ru1 P2 92.72(14) . . ?
N2 Ru1 P1 95.39(14) . . ?
N2 Ru1 N1 76.18(19) . . ?
N2 Ru1 H 169(3) . . ?
N1 Ru1 P2 95.58(14) . . ?
N1 Ru1 P1 86.46(14) . . ?
N1 Ru1 H 93(3) . . ?
C25 Ru1 P2 87.0(2) . . ?
C25 Ru1 P1 90.9(2) . . ?
C25 Ru1 N2 104.5(2) . . ?
C25 Ru1 N1 177.3(2) . . ?
C25 Ru1 H 86(3) . . ?
C58 P2 Ru1 114.4(2) . . ?
C58 P2 C52 104.4(3) . . ?
C58 P2 C46 102.2(3) . . ?
C52 P2 Ru1 112.8(2) . . ?
C52 P2 C46 105.4(3) . . ?
C46 P2 Ru1 116.4(2) . . ?
C40 P1 Ru1 113.0(2) . . ?
C40 P1 C28 105.4(3) . . ?
C40 P1 C34 104.0(3) . . ?
C28 P1 Ru1 113.8(2) . . ?
C34 P1 Ru1 118.0(2) . . ?
C34 P1 C28 101.1(3) . . ?
O7 Cl1 O5 109.4(8) . . ?
O7 Cl1 O6 108.1(7) . . ?
O5 Cl1 O6 104.4(8) . . ?
O4 Cl1 O7 92.6(8) . . ?
O4 Cl1 O5 115.7(7) . . ?
O4 Cl1 O6 125.1(10) . . ?
C11 N2 Ru1 115.0(4) . . ?
C11 N2 C13 119.3(6) . . ?
C13 N2 Ru1 125.4(4) . . ?
C1 N1 Ru1 115.4(4) . . ?
C1 N1 C19 120.6(5) . . ?
C19 N1 Ru1 123.5(4) . . ?
C16 O3 C27 117.8(6) . . ?
N2 C11 C1 117.2(6) . . ?
N2 C11 C10 136.1(6) . . ?
C10 C11 C1 106.7(5) . . ?
N1 C1 C11 116.1(6) . . ?
N1 C1 C2 136.4(6) . . ?
C2 C1 C11 107.3(6) . . ?
O1 C25 Ru1 178.0(6) . . ?
C22 O2 C26 116.6(8) . . ?
C18 C13 N2 118.9(6) . . ?
C14 C13 N2 121.6(6) . . ?
C14 C13 C18 119.2(6) . . ?
C45 C40 P1 120.3(5) . . ?
C45 C40 C41 117.5(6) . . ?
C41 C40 P1 122.0(5) . . ?
C59 C58 P2 119.0(5) . . ?
C63 C58 P2 121.9(5) . . ?
C63 C58 C59 119.0(6) . . ?
C53 C52 P2 118.1(5) . . ?
C57 C52 P2 122.1(5) . . ?
C57 C52 C53 119.5(6) . . ?
C13 C18 H18 120.3 . . ?
C17 C18 C13 119.4(6) . . ?
C17 C18 H18 120.3 . . ?
C40 C45 H45 119.5 . . ?
C44 C45 C40 121.0(7) . . ?
C44 C45 H45 119.5 . . ?
C29 C28 P1 124.2(5) . . ?
C29 C28 C33 118.7(6) . . ?
C33 C28 P1 117.1(5) . . ?
C47 C46 P2 119.1(5) . . ?
C47 C46 C51 118.3(6) . . ?
C51 C46 P2 122.5(5) . . ?
C13 C14 H14 119.2 . . ?
C13 C14 C15 121.5(6) . . ?
C15 C14 H14 119.2 . . ?
C46 C47 H47 119.3 . . ?
C48 C47 C46 121.5(7) . . ?
C48 C47 H47 119.3 . . ?
C52 C53 H53 120.5 . . ?
C54 C53 C52 119.0(7) . . ?
C54 C53 H53 120.5 . . ?
C24 C19 N1 119.6(6) . . ?
C24 C19 C20 119.9(6) . . ?
C20 C19 N1 120.2(6) . . ?
C12 C10 C11 106.4(6) . . ?
C9 C10 C11 135.2(6) . . ?
C9 C10 C12 118.3(6) . . ?
C35 C34 P1 119.3(5) . . ?
C39 C34 P1 122.0(5) . . ?
C39 C34 C35 118.7(6) . . ?
C58 C59 H59 120.1 . . ?
C60 C59 C58 119.8(6) . . ?
C60 C59 H59 120.1 . . ?
C19 C24 H24 119.3 . . ?
C19 C24 C23 121.4(7) . . ?
C23 C24 H24 119.3 . . ?
C38 C37 H37 120.1 . . ?
C38 C37 C36 119.8(7) . . ?
C36 C37 H37 120.1 . . ?
C34 C35 H35 119.5 . . ?
C36 C35 C34 120.9(7) . . ?
C36 C35 H35 119.5 . . ?
C34 C39 H39 119.7 . . ?
C34 C39 C38 120.6(6) . . ?
C38 C39 H39 119.7 . . ?
C28 C29 H29 119.9 . . ?
C30 C29 C28 120.1(7) . . ?
C30 C29 H29 119.9 . . ?
C12 C2 C1 105.4(6) . . ?
C3 C2 C1 134.5(7) . . ?
C3 C2 C12 120.0(6) . . ?
C52 C57 H57 119.6 . . ?
C52 C57 C56 120.7(7) . . ?
C56 C57 H57 119.6 . . ?
C14 C15 H15 120.1 . . ?
C14 C15 C16 119.7(6) . . ?
C16 C15 H15 120.1 . . ?
C37 C38 C39 120.3(7) . . ?
C37 C38 H38 119.8 . . ?
C39 C38 H38 119.8 . . ?
C58 C63 H63 119.8 . . ?
C58 C63 C62 120.5(7) . . ?
C62 C63 H63 119.8 . . ?
C28 C33 H33 119.6 . . ?
C32 C33 C28 120.8(7) . . ?
C32 C33 H33 119.6 . . ?
C18 C17 H17 119.6 . . ?
C18 C17 C16 120.8(6) . . ?
C16 C17 H17 119.6 . . ?
C59 C60 H60 119.6 . . ?
C61 C60 C59 120.7(7) . . ?
C61 C60 H60 119.6 . . ?
C40 C41 H41 119.9 . . ?
C42 C41 C40 120.1(7) . . ?
C42 C41 H41 119.9 . . ?
C10 C12 C2 113.9(6) . . ?
C6 C12 C10 123.4(7) . . ?
C6 C12 C2 122.7(7) . . ?
C53 C54 H54 119.7 . . ?
C55 C54 C53 120.7(7) . . ?
C55 C54 H54 119.7 . . ?
C60 C61 H61 120.0 . . ?
C60 C61 C62 120.1(7) . . ?
C62 C61 H61 120.0 . . ?
C63 C62 H62 120.1 . . ?
C61 C62 C63 119.9(7) . . ?
C61 C62 H62 120.1 . . ?
C51 C50 H50 119.9 . . ?
C49 C50 H50 119.9 . . ?
C49 C50 C51 120.2(7) . . ?
C47 C48 H48 120.0 . . ?
C47 C48 C49 119.9(7) . . ?
C49 C48 H48 120.0 . . ?
C46 C51 H51 119.9 . . ?
C50 C51 C46 120.1(6) . . ?
C50 C51 H51 119.9 . . ?
C37 C36 C35 119.6(7) . . ?
C37 C36 H36 120.2 . . ?
C35 C36 H36 120.2 . . ?
C45 C44 H44 119.7 . . ?
C45 C44 C43 120.6(7) . . ?
C43 C44 H44 119.7 . . ?
O3 C16 C15 125.5(6) . . ?
O3 C16 C17 115.2(6) . . ?
C15 C16 C17 119.2(6) . . ?
C19 C20 H20 120.8 . . ?
C19 C20 C21 118.4(7) . . ?
C21 C20 H20 120.8 . . ?
C50 C49 C48 120.0(6) . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C2 C3 H3 121.2 . . ?
C2 C3 C4 117.6(7) . . ?
C4 C3 H3 121.2 . . ?
C41 C42 H42 119.5 . . ?
C43 C42 C41 120.9(7) . . ?
C43 C42 H42 119.5 . . ?
C10 C9 H9 120.8 . . ?
C10 C9 C8 118.4(7) . . ?
C8 C9 H9 120.8 . . ?
C24 C23 H23 120.3 . . ?
C22 C23 C24 119.4(7) . . ?
C22 C23 H23 120.3 . . ?
C33 C32 H32 119.8 . . ?
C33 C32 C31 120.4(7) . . ?
C31 C32 H32 119.8 . . ?
C44 C43 H43 120.1 . . ?
C42 C43 C44 119.8(7) . . ?
C42 C43 H43 120.1 . . ?
C9 C8 H8 118.5 . . ?
C7 C8 C9 123.1(7) . . ?
C7 C8 H8 118.5 . . ?
C32 C31 H31 120.3 . . ?
C30 C31 C32 119.4(7) . . ?
C30 C31 H31 120.3 . . ?
C29 C30 C31 120.5(7) . . ?
C29 C30 H30 119.7 . . ?
C31 C30 H30 119.7 . . ?
C12 C6 C7 116.6(7) . . ?
C12 C6 C5 115.8(7) . . ?
C7 C6 C5 127.6(7) . . ?
C8 C7 C6 119.9(7) . . ?
C8 C7 H7 120.0 . . ?
C6 C7 H7 120.0 . . ?
C6 C5 H5 119.7 . . ?
C4 C5 C6 120.5(7) . . ?
C4 C5 H5 119.7 . . ?
O2 C22 C23 124.9(8) . . ?
O2 C22 C21 115.0(8) . . ?
C21 C22 C23 120.1(7) . . ?
C3 C4 H4 118.4 . . ?
C5 C4 C3 123.2(7) . . ?
C5 C4 H4 118.4 . . ?
C20 C21 H21 119.6 . . ?
C22 C21 C20 120.8(7) . . ?
C22 C21 H21 119.6 . . ?
O3 C27 H27A 109.5 . . ?
O3 C27 H27B 109.5 . . ?
O3 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C57 C56 H56 120.0 . . ?
C55 C56 C57 120.1(7) . . ?
C55 C56 H56 120.0 . . ?
C54 C55 H55 120.1 . . ?
C56 C55 C54 119.9(7) . . ?
C56 C55 H55 120.1 . . ?
Cl3 C64 Cl2 111.8(6) . . ?
Cl3 C64 H64A 109.3 . . ?
Cl3 C64 H64B 109.3 . . ?
Cl2 C64 H64A 109.3 . . ?
Cl2 C64 H64B 109.3 . . ?
H64A C64 H64B 107.9 . . ?
O2 C26 H26A 109.5 . . ?
O2 C26 H26B 109.5 . . ?
O2 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ru1 P2 C58 C59 -47.0(6) . . . . ?
Ru1 P2 C58 C63 134.9(5) . . . . ?
Ru1 P2 C52 C53 -64.2(5) . . . . ?
Ru1 P2 C52 C57 109.6(5) . . . . ?
Ru1 P2 C46 C47 -51.7(6) . . . . ?
Ru1 P2 C46 C51 132.3(5) . . . . ?
Ru1 P1 C40 C45 60.8(6) . . . . ?
Ru1 P1 C40 C41 -114.1(5) . . . . ?
Ru1 P1 C28 C29 -108.9(5) . . . . ?
Ru1 P1 C28 C33 68.5(5) . . . . ?
Ru1 P1 C34 C35 -178.1(4) . . . . ?
Ru1 P1 C34 C39 1.3(6) . . . . ?
Ru1 N2 C11 C1 1.9(7) . . . . ?
Ru1 N2 C11 C10 -175.6(6) . . . . ?
Ru1 N2 C13 C18 50.9(8) . . . . ?
Ru1 N2 C13 C14 -123.4(6) . . . . ?
Ru1 N1 C1 C11 -1.2(7) . . . . ?
Ru1 N1 C1 C2 -176.1(6) . . . . ?
Ru1 N1 C19 C24 51.7(8) . . . . ?
Ru1 N1 C19 C20 -121.4(6) . . . . ?
P2 C58 C59 C60 -178.3(5) . . . . ?
P2 C58 C63 C62 179.4(5) . . . . ?
P2 C52 C53 C54 171.1(5) . . . . ?
P2 C52 C57 C56 -170.5(5) . . . . ?
P2 C46 C47 C48 -176.4(5) . . . . ?
P2 C46 C51 C50 178.0(5) . . . . ?
P1 C40 C45 C44 -175.2(5) . . . . ?
P1 C40 C41 C42 173.9(6) . . . . ?
P1 C28 C29 C30 175.5(5) . . . . ?
P1 C28 C33 C32 -175.2(5) . . . . ?
P1 C34 C35 C36 -179.2(5) . . . . ?
P1 C34 C39 C38 178.3(5) . . . . ?
N2 C11 C1 N1 -0.5(8) . . . . ?
N2 C11 C1 C2 175.9(5) . . . . ?
N2 C11 C10 C12 -177.5(7) . . . . ?
N2 C11 C10 C9 7.0(13) . . . . ?
N2 C13 C18 C17 -177.8(6) . . . . ?
N2 C13 C14 C15 176.5(6) . . . . ?
N1 C1 C2 C12 -180.0(7) . . . . ?
N1 C1 C2 C3 3.6(14) . . . . ?
N1 C19 C24 C23 -172.6(6) . . . . ?
N1 C19 C20 C21 171.4(6) . . . . ?
C11 N2 C13 C18 -136.0(6) . . . . ?
C11 N2 C13 C14 49.8(8) . . . . ?
C11 C1 C2 C12 4.8(7) . . . . ?
C11 C1 C2 C3 -171.7(8) . . . . ?
C11 C10 C12 C2 -1.9(7) . . . . ?
C11 C10 C12 C6 176.1(6) . . . . ?
C11 C10 C9 C8 179.6(7) . . . . ?
C1 N1 C19 C24 -136.9(7) . . . . ?
C1 N1 C19 C20 50.1(9) . . . . ?
C1 C11 C10 C12 4.8(7) . . . . ?
C1 C11 C10 C9 -170.6(7) . . . . ?
C1 C2 C12 C10 -1.9(7) . . . . ?
C1 C2 C12 C6 -179.9(6) . . . . ?
C1 C2 C3 C4 175.9(7) . . . . ?
O2 C22 C21 C20 -177.3(7) . . . . ?
C13 N2 C11 C1 -172.0(5) . . . . ?
C13 N2 C11 C10 10.5(11) . . . . ?
C13 C18 C17 C16 1.2(10) . . . . ?
C13 C14 C15 C16 1.2(10) . . . . ?
C40 P1 C28 C29 15.5(6) . . . . ?
C40 P1 C28 C33 -167.0(5) . . . . ?
C40 P1 C34 C35 55.8(6) . . . . ?
C40 P1 C34 C39 -124.8(6) . . . . ?
C40 C45 C44 C43 0.8(10) . . . . ?
C40 C41 C42 C43 1.7(11) . . . . ?
C58 P2 C52 C53 171.0(5) . . . . ?
C58 P2 C52 C57 -15.1(6) . . . . ?
C58 P2 C46 C47 73.7(6) . . . . ?
C58 P2 C46 C51 -102.3(6) . . . . ?
C58 C59 C60 C61 -0.5(11) . . . . ?
C58 C63 C62 C61 -1.8(11) . . . . ?
C52 P2 C58 C59 76.7(6) . . . . ?
C52 P2 C58 C63 -101.4(6) . . . . ?
C52 P2 C46 C47 -177.5(5) . . . . ?
C52 P2 C46 C51 6.5(6) . . . . ?
C52 C53 C54 C55 0.9(10) . . . . ?
C52 C57 C56 C55 -1.5(11) . . . . ?
C18 C13 C14 C15 2.3(10) . . . . ?
C18 C17 C16 O3 178.8(6) . . . . ?
C18 C17 C16 C15 2.3(11) . . . . ?
C45 C40 C41 C42 -1.1(10) . . . . ?
C45 C44 C43 C42 -0.2(11) . . . . ?
C28 P1 C40 C45 -64.2(6) . . . . ?
C28 P1 C40 C41 121.0(6) . . . . ?
C28 P1 C34 C35 -53.3(6) . . . . ?
C28 P1 C34 C39 126.0(6) . . . . ?
C28 C29 C30 C31 0.6(10) . . . . ?
C28 C33 C32 C31 -1.5(11) . . . . ?
C46 P2 C58 C59 -173.7(5) . . . . ?
C46 P2 C58 C63 8.2(6) . . . . ?
C46 P2 C52 C53 63.8(5) . . . . ?
C46 P2 C52 C57 -122.4(5) . . . . ?
C46 C47 C48 C49 -1.0(11) . . . . ?
C14 C13 C18 C17 -3.4(10) . . . . ?
C14 C15 C16 O3 -179.7(7) . . . . ?
C14 C15 C16 C17 -3.4(10) . . . . ?
C47 C46 C51 C50 1.9(10) . . . . ?
C47 C48 C49 C50 0.4(11) . . . . ?
C53 C52 C57 C56 3.2(10) . . . . ?
C53 C54 C55 C56 0.9(11) . . . . ?
C19 N1 C1 C11 -173.3(5) . . . . ?
C19 N1 C1 C2 11.8(11) . . . . ?
C19 C24 C23 C22 1.4(11) . . . . ?
C19 C20 C21 C22 0.9(11) . . . . ?
C10 C11 C1 N1 177.7(5) . . . . ?
C10 C11 C1 C2 -6.0(7) . . . . ?
C10 C12 C6 C7 5.9(10) . . . . ?
C10 C12 C6 C5 -173.0(7) . . . . ?
C10 C9 C8 C7 -0.5(11) . . . . ?
C34 P1 C40 C45 -170.1(5) . . . . ?
C34 P1 C40 C41 15.1(6) . . . . ?
C34 P1 C28 C29 123.5(6) . . . . ?
C34 P1 C28 C33 -59.0(5) . . . . ?
C34 C35 C36 C37 -0.1(11) . . . . ?
C34 C39 C38 C37 2.0(10) . . . . ?
C59 C58 C63 C62 1.3(10) . . . . ?
C59 C60 C61 C62 0.0(11) . . . . ?
C24 C19 C20 C21 -1.6(10) . . . . ?
C24 C23 C22 O2 176.0(7) . . . . ?
C24 C23 C22 C21 -2.2(11) . . . . ?
C35 C34 C39 C38 -2.4(10) . . . . ?
C39 C34 C35 C36 1.5(10) . . . . ?
C29 C28 C33 C32 2.4(10) . . . . ?
C2 C12 C6 C7 -176.3(6) . . . . ?
C2 C12 C6 C5 4.8(10) . . . . ?
C2 C3 C4 C5 0.7(13) . . . . ?
C57 C52 C53 C54 -2.9(9) . . . . ?
C57 C56 C55 C54 -0.6(11) . . . . ?
C38 C37 C36 C35 -0.4(11) . . . . ?
C63 C58 C59 C60 -0.1(10) . . . . ?
C33 C28 C29 C30 -2.0(10) . . . . ?
C33 C32 C31 C30 0.1(11) . . . . ?
C60 C61 C62 C63 1.1(11) . . . . ?
C41 C40 C45 C44 -0.1(10) . . . . ?
C41 C42 C43 C44 -1.0(12) . . . . ?
C12 C10 C9 C8 4.6(10) . . . . ?
C12 C2 C3 C4 -0.1(11) . . . . ?
C12 C6 C7 C8 -1.4(10) . . . . ?
C12 C6 C5 C4 -4.1(12) . . . . ?
C51 C46 C47 C48 -0.2(10) . . . . ?
C51 C50 C49 C48 1.3(12) . . . . ?
C36 C37 C38 C39 -0.5(11) . . . . ?
C20 C19 C24 C23 0.5(10) . . . . ?
C49 C50 C51 C46 -2.5(11) . . . . ?
C3 C2 C12 C10 175.2(6) . . . . ?
C3 C2 C12 C6 -2.8(10) . . . . ?
C9 C10 C12 C2 174.4(6) . . . . ?
C9 C10 C12 C6 -7.6(10) . . . . ?
C9 C8 C7 C6 -1.2(12) . . . . ?
C23 C22 C21 C20 1.0(12) . . . . ?
C32 C31 C30 C29 0.4(10) . . . . ?
C6 C5 C4 C3 1.5(13) . . . . ?
C7 C6 C5 C4 177.1(8) . . . . ?
C5 C6 C7 C8 177.3(8) . . . . ?
C27 O3 C16 C15 2.0(11) . . . . ?
C27 O3 C16 C17 -174.3(7) . . . . ?
C26 O2 C22 C23 -0.3(12) . . . . ?
C26 O2 C22 C21 177.9(8) . . . . ?

_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_1b_ClO4
_database_code_depnum_ccdc_archive 'CCDC 1515771'
_audit_update_record             
;
2016-11-09 deposited with the CCDC.
2017-03-17 downloaded from the CCDC.
;
_audit_creation_date             2016-11-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C63 H51 N2 O P2 Ru, Cl O4, 2(C H2 Cl2)'
_chemical_formula_sum            'C65 H55 Cl5 N2 O5 P2 Ru'
_chemical_formula_weight         1284.37
_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'
Cl Cl 0.1484 0.1585 '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'
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'

_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                   11.8945(19)
_cell_length_b                   14.063(2)
_cell_length_c                   18.356(3)
_cell_angle_alpha                98.289(2)
_cell_angle_beta                 105.598(3)
_cell_angle_gamma                90.117(3)
_cell_volume                     2923.8(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    23302
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.2
_cell_measurement_theta_min      2.8
_shelx_estimated_absorpt_T_max   0.874
_shelx_estimated_absorpt_T_min   0.794
_exptl_absorpt_coefficient_mu    0.604
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1316
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.23
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1237
_diffrn_reflns_av_unetI/netI     0.2205
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            23302
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.048
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5739
_reflns_number_total             10176
_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       'CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.655
_refine_diff_density_min         -1.121
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     727
_refine_ls_number_reflns         10176
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.1091
_refine_ls_R_factor_gt           0.0738
_refine_ls_restrained_S_all      0.951
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0457P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1681
_refine_ls_wR_factor_ref         0.1946
_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. Uiso/Uaniso restraints and constraints
Uanis(O3) \\sim Ueq, Uanis(O4) \\sim Ueq: with sigma of 0.005 and sigma for
terminal atoms of 0.005
Uanis(C64) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.001
Uanis(N2) \\sim Ueq, Uanis(C31) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
3.a Secondary CH2 refined with riding coordinates:
 C64(H64A,H64B), C65(H65A,H65B)
3.b Aromatic/amide H refined with riding coordinates:
 C18(H18), C62(H62), C59(H59), C24(H24), C3(H3), C57(H57), C17(H17), C14(H14),
 C7(H7), C23(H23), C63(H63), C60(H60), C8(H8), C15(H15), C45(H45), C53(H53),
 C61(H61), C41(H41), C21(H21), C20(H20), C51(H51), C9(H9), C29(H29), C42(H42),
 C47(H47), C44(H44), C56(H56), C38(H38), C50(H50), C33(H33), C35(H35), C39(H39),
  C43(H43), C4(H4), C54(H54), C48(H48), C5(H5), C55(H55), C30(H30), C37(H37),
 C36(H36), C49(H49), C31(H31), C32(H32)
3.c Idealised Me refined as rotating group:
 C26(H26A,H26B,H26C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.81438(4) 0.69949(4) 0.81549(3) 0.01422(17) Uani 1 1 d . . . . .
P2 P 0.61458(13) 0.67974(11) 0.81369(10) 0.0133(4) Uani 1 1 d . . . . .
P1 P 1.01785(14) 0.70642(12) 0.82504(10) 0.0148(4) Uani 1 1 d . . . . .
Cl1 Cl 0.53920(18) 0.92242(14) 0.24623(12) 0.0368(5) Uani 1 1 d . . . . .
N1 N 0.7869(4) 0.8223(3) 0.7542(3) 0.0140(12) Uani 1 1 d . . . . .
O5 O 0.5280(4) 0.9887(3) 0.1952(3) 0.0300(12) Uani 1 1 d . . . . .
O1 O 0.8762(4) 0.7824(3) 0.9821(3) 0.0296(12) Uani 1 1 d . . . . .
N2 N 0.7681(4) 0.6341(3) 0.6975(3) 0.0136(12) Uani 1 1 d . U . . .
Cl3 Cl -0.0168(4) 0.9346(3) 0.5923(3) 0.1538(18) Uani 1 1 d . . . . .
Cl2 Cl 0.1192(4) 0.8552(5) 0.4961(3) 0.216(3) Uani 1 1 d . . . . .
O2 O 0.4653(4) 0.9477(4) 0.2970(3) 0.0426(15) Uani 1 1 d . . . . .
C25 C 0.8521(5) 0.7525(5) 0.9170(4) 0.0206(16) Uani 1 1 d . . . . .
C11 C 0.7464(5) 0.6956(4) 0.6480(4) 0.0153(15) Uani 1 1 d . . . . .
C18 C 0.7565(5) 0.9566(4) 0.8458(4) 0.0168(15) Uani 1 1 d . . . . .
H18 H 0.7130 0.9139 0.8646 0.020 Uiso 1 1 calc R . . . .
C1 C 0.7550(5) 0.7996(4) 0.6797(4) 0.0152(15) Uani 1 1 d . . . . .
C62 C 0.5890(6) 0.7791(5) 1.0276(4) 0.0233(17) Uani 1 1 d . . . . .
H62 H 0.6218 0.7629 1.0772 0.028 Uiso 1 1 calc R . . . .
C52 C 0.5600(5) 0.5596(4) 0.8196(4) 0.0169(15) Uani 1 1 d . . . . .
C59 C 0.4928(5) 0.8248(4) 0.8841(4) 0.0158(15) Uani 1 1 d . . . . .
H59 H 0.4577 0.8406 0.8346 0.019 Uiso 1 1 calc R . . . .
C13 C 0.8036(5) 0.9217(4) 0.7876(4) 0.0141(14) Uani 1 1 d . . . . .
C28 C 1.0556(5) 0.6506(5) 0.7385(4) 0.0207(16) Uani 1 1 d . . . . .
C2 C 0.7157(5) 0.8535(4) 0.6148(4) 0.0169(15) Uani 1 1 d . . . . .
C19 C 0.7544(5) 0.5329(4) 0.6728(4) 0.0145(14) Uani 1 1 d . . . . .
C24 C 0.8357(5) 0.4710(4) 0.7062(4) 0.0194(16) Uani 1 1 d . . . . .
H24 H 0.9067 0.4971 0.7414 0.023 Uiso 1 1 calc R . . . .
C58 C 0.5720(5) 0.7520(4) 0.8924(4) 0.0142(14) Uani 1 1 d . . . . .
C10 C 0.7173(5) 0.6879(4) 0.5640(4) 0.0165(15) Uani 1 1 d . . . . .
C12 C 0.6973(5) 0.7828(5) 0.5478(4) 0.0189(16) Uani 1 1 d . . . . .
C3 C 0.6910(5) 0.9474(5) 0.6063(4) 0.0194(16) Uani 1 1 d . . . . .
H3 H 0.7021 0.9959 0.6496 0.023 Uiso 1 1 calc R . . . .
C40 C 1.1123(5) 0.6462(4) 0.8992(4) 0.0160(15) Uani 1 1 d . . . . .
C57 C 0.6140(5) 0.4770(4) 0.8010(4) 0.0176(15) Uani 1 1 d . . . . .
H57 H 0.6861 0.4810 0.7884 0.021 Uiso 1 1 calc R . . . .
C17 C 0.7706(5) 1.0519(4) 0.8778(4) 0.0206(16) Uani 1 1 d . . . . .
H17 H 0.7360 1.0744 0.9177 0.025 Uiso 1 1 calc R . . . .
C14 C 0.8747(5) 0.9833(4) 0.7639(4) 0.0179(15) Uani 1 1 d . . . . .
H14 H 0.9125 0.9596 0.7259 0.021 Uiso 1 1 calc R . . . .
C7 C 0.6519(6) 0.7297(5) 0.4125(4) 0.0231(17) Uani 1 1 d . . . . .
H7 H 0.6270 0.7416 0.3611 0.028 Uiso 1 1 calc R . . . .
C34 C 1.0854(5) 0.8272(5) 0.8456(4) 0.0216(17) Uani 1 1 d . . . . .
C23 C 0.8173(6) 0.3737(5) 0.6903(4) 0.0231(17) Uani 1 1 d . . . . .
H23 H 0.8763 0.3336 0.7135 0.028 Uiso 1 1 calc R . . . .
C63 C 0.6198(5) 0.7288(5) 0.9656(4) 0.0204(16) Uani 1 1 d . . . . .
H63 H 0.6734 0.6787 0.9729 0.024 Uiso 1 1 calc R . . . .
C60 C 0.4648(6) 0.8745(5) 0.9466(4) 0.0245(17) Uani 1 1 d . . . . .
H60 H 0.4119 0.9250 0.9397 0.029 Uiso 1 1 calc R . . . .
C8 C 0.6794(6) 0.6376(5) 0.4290(4) 0.0238(17) Uani 1 1 d . . . . .
H8 H 0.6766 0.5874 0.3878 0.029 Uiso 1 1 calc R . . . .
C15 C 0.8895(6) 1.0799(5) 0.7968(4) 0.0234(17) Uani 1 1 d . . . . .
H15 H 0.9378 1.1219 0.7809 0.028 Uiso 1 1 calc R . . . .
C45 C 1.0730(6) 0.5656(5) 0.9223(4) 0.0253(17) Uani 1 1 d . . . . .
H45 H 0.9931 0.5448 0.9029 0.030 Uiso 1 1 calc R . . . .
C53 C 0.4539(6) 0.5523(5) 0.8394(4) 0.0255(17) Uani 1 1 d . . . . .
H53 H 0.4163 0.6090 0.8531 0.031 Uiso 1 1 calc R . . . .
C61 C 0.5117(6) 0.8523(5) 1.0187(4) 0.0253(17) Uani 1 1 d . . . . .
H61 H 0.4914 0.8865 1.0616 0.030 Uiso 1 1 calc R . . . .
C41 C 1.2312(5) 0.6773(5) 0.9317(4) 0.0213(16) Uani 1 1 d . . . . .
H41 H 1.2602 0.7331 0.9179 0.026 Uiso 1 1 calc R . . . .
C21 C 0.6317(5) 0.3927(4) 0.6049(4) 0.0193(16) Uani 1 1 d . . . . .
H21 H 0.5617 0.3657 0.5690 0.023 Uiso 1 1 calc R . . . .
C20 C 0.6496(5) 0.4923(4) 0.6201(4) 0.0160(15) Uani 1 1 d . . . . .
H20 H 0.5922 0.5326 0.5953 0.019 Uiso 1 1 calc R . . . .
C51 C 0.5098(5) 0.7994(4) 0.7059(4) 0.0181(15) Uani 1 1 d . . . . .
H51 H 0.5558 0.8505 0.7408 0.022 Uiso 1 1 calc R . . . .
C46 C 0.5133(5) 0.7069(4) 0.7261(4) 0.0150(14) Uani 1 1 d . . . . .
C9 C 0.7115(5) 0.6156(5) 0.5046(4) 0.0176(15) Uani 1 1 d . . . . .
H9 H 0.7287 0.5518 0.5138 0.021 Uiso 1 1 calc R . . . .
C6 C 0.6620(6) 0.8054(5) 0.4741(4) 0.0247(17) Uani 1 1 d . . . . .
C29 C 1.1146(6) 0.5644(5) 0.7380(5) 0.034(2) Uani 1 1 d . . . . .
H29 H 1.1448 0.5384 0.7841 0.041 Uiso 1 1 calc R . . . .
C16 C 0.8351(6) 1.1155(5) 0.8521(4) 0.0209(16) Uani 1 1 d . . . . .
C42 C 1.3051(6) 0.6277(5) 0.9829(4) 0.0257(17) Uani 1 1 d . . . . .
H42 H 1.3847 0.6489 1.0038 0.031 Uiso 1 1 calc R . . . .
C47 C 0.4434(6) 0.6341(5) 0.6736(4) 0.0229(16) Uani 1 1 d . . . . .
H47 H 0.4426 0.5707 0.6858 0.027 Uiso 1 1 calc R . . . .
C44 C 1.1474(6) 0.5152(5) 0.9728(4) 0.0276(18) Uani 1 1 d . . . . .
H44 H 1.1195 0.4587 0.9863 0.033 Uiso 1 1 calc R . . . .
C56 C 0.5641(6) 0.3882(4) 0.8006(4) 0.0215(16) Uani 1 1 d . . . . .
H56 H 0.6014 0.3314 0.7868 0.026 Uiso 1 1 calc R . . . .
C38 C 1.1189(6) 0.9829(5) 0.9263(5) 0.0309(19) Uani 1 1 d . . . . .
H38 H 1.1071 1.0243 0.9691 0.037 Uiso 1 1 calc R . . . .
C22 C 0.7128(6) 0.3319(5) 0.6405(4) 0.0269(18) Uani 1 1 d . . . . .
C50 C 0.4406(6) 0.8176(5) 0.6363(4) 0.0244(17) Uani 1 1 d . . . . .
H50 H 0.4397 0.8809 0.6238 0.029 Uiso 1 1 calc R . . . .
C33 C 1.0179(5) 0.6883(6) 0.6714(4) 0.032(2) Uani 1 1 d . . . . .
H33 H 0.9794 0.7474 0.6713 0.039 Uiso 1 1 calc R . . . .
C35 C 1.1539(5) 0.8609(5) 0.8019(4) 0.0246(17) Uani 1 1 d . . . . .
H35 H 1.1674 0.8204 0.7593 0.029 Uiso 1 1 calc R . . . .
C39 C 1.0696(6) 0.8903(5) 0.9078(4) 0.0245(17) Uani 1 1 d . . . . .
H39 H 1.0239 0.8692 0.9381 0.029 Uiso 1 1 calc R . . . .
C26 C 0.8490(6) 1.2226(5) 0.8847(4) 0.0316(19) Uani 1 1 d . . . . .
H26A H 0.7719 1.2505 0.8757 0.047 Uiso 1 1 calc GR . . . .
H26B H 0.8972 1.2555 0.8595 0.047 Uiso 1 1 calc GR . . . .
H26C H 0.8867 1.2306 0.9398 0.047 Uiso 1 1 calc GR . . . .
C43 C 1.2638(6) 0.5474(5) 1.0040(4) 0.0287(18) Uani 1 1 d . . . . .
H43 H 1.3147 0.5137 1.0399 0.034 Uiso 1 1 calc R . . . .
C4 C 0.6486(6) 0.9701(5) 0.5314(4) 0.0314(19) Uani 1 1 d . . . . .
H4 H 0.6269 1.0340 0.5252 0.038 Uiso 1 1 calc R . . . .
C54 C 0.4044(6) 0.4634(5) 0.8390(5) 0.034(2) Uani 1 1 d . . . . .
H54 H 0.3324 0.4586 0.8516 0.041 Uiso 1 1 calc R . . . .
C48 C 0.3756(6) 0.6538(5) 0.6043(5) 0.035(2) Uani 1 1 d . . . . .
H48 H 0.3294 0.6031 0.5691 0.042 Uiso 1 1 calc R . . . .
C5 C 0.6377(6) 0.9032(5) 0.4673(4) 0.0277(18) Uani 1 1 d . . . . .
H5 H 0.6138 0.9223 0.4180 0.033 Uiso 1 1 calc R . . . .
C55 C 0.4603(6) 0.3814(5) 0.8200(4) 0.0274(18) Uani 1 1 d . . . . .
H55 H 0.4272 0.3200 0.8203 0.033 Uiso 1 1 calc R . . . .
C27 C 0.6873(6) 0.2250(5) 0.6283(5) 0.034(2) Uani 1 1 d . . . . .
H27A H 0.7565 0.1912 0.6214 0.052 Uiso 1 1 calc GR . . . .
H27B H 0.6218 0.2072 0.5826 0.052 Uiso 1 1 calc GR . . . .
H27C H 0.6669 0.2069 0.6729 0.052 Uiso 1 1 calc GR . . . .
C30 C 1.1282(7) 0.5176(6) 0.6695(5) 0.049(3) Uani 1 1 d . . . . .
H30 H 1.1652 0.4578 0.6685 0.059 Uiso 1 1 calc R . . . .
C37 C 1.1845(6) 1.0154(5) 0.8831(5) 0.038(2) Uani 1 1 d . . . . .
H37 H 1.2178 1.0791 0.8951 0.046 Uiso 1 1 calc R . . . .
C36 C 1.2010(6) 0.9538(6) 0.8224(5) 0.038(2) Uani 1 1 d . . . . .
H36 H 1.2472 0.9761 0.7929 0.046 Uiso 1 1 calc R . . . .
C49 C 0.3729(6) 0.7447(5) 0.5845(4) 0.0322(19) Uani 1 1 d . . . . .
H49 H 0.3255 0.7570 0.5364 0.039 Uiso 1 1 calc R . . . .
C31 C 1.0904(8) 0.5548(7) 0.6044(6) 0.052(2) Uani 1 1 d . U . . .
H31 H 1.1016 0.5213 0.5583 0.063 Uiso 1 1 calc R . . . .
C32 C 1.0356(6) 0.6408(7) 0.6035(5) 0.048(3) Uani 1 1 d . . . . .
H32 H 1.0101 0.6674 0.5574 0.057 Uiso 1 1 calc R . . . .
O4 O 0.6601(7) 0.9305(7) 0.2941(5) 0.119(3) Uani 1 1 d . U . . .
O3 O 0.5046(9) 0.8318(7) 0.2058(6) 0.138(4) Uani 1 1 d . U . . .
C64 C 0.1409(10) 0.9150(9) 0.5866(8) 0.100(4) Uani 1 1 d . U . . .
H64A H 0.1850 0.9770 0.5937 0.120 Uiso 1 1 calc R . . . .
H64B H 0.1829 0.8758 0.6252 0.120 Uiso 1 1 calc R . . . .
Cl4 Cl -0.0815(3) 0.7790(3) 0.3351(3) 0.1393(16) Uani 1 1 d . . . . .
Cl5 Cl -0.1358(2) 0.6943(2) 0.1767(2) 0.0924(12) Uani 1 1 d . . . . .
C65 C -0.1634(9) 0.7763(10) 0.2391(9) 0.117(6) Uani 1 1 d . . . . .
H65A H -0.2471 0.7691 0.2368 0.140 Uiso 1 1 calc R . . . .
H65B H -0.1514 0.8395 0.2239 0.140 Uiso 1 1 calc R . . . .
H H 0.832(4) 0.609(4) 0.856(3) 0.005(14) Uiso 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 P2 2.3829(16) . ?
Ru1 P1 2.3798(17) . ?
Ru1 N1 2.172(5) . ?
Ru1 N2 2.150(5) . ?
Ru1 C25 1.838(8) . ?
Ru1 H 1.55(5) . ?
P2 C52 1.837(6) . ?
P2 C58 1.830(6) . ?
P2 C46 1.823(6) . ?
P1 C28 1.834(7) . ?
P1 C40 1.828(6) . ?
P1 C34 1.822(7) . ?
Cl1 O5 1.397(5) . ?
Cl1 O2 1.453(5) . ?
Cl1 O4 1.465(8) . ?
Cl1 O3 1.380(9) . ?
N1 C1 1.308(8) . ?
N1 C13 1.434(7) . ?
O1 C25 1.165(8) . ?
N2 C11 1.320(8) . ?
N2 C19 1.425(7) . ?
Cl3 C64 1.924(12) . ?
Cl2 C64 1.704(13) . ?
C11 C1 1.487(8) . ?
C11 C10 1.474(9) . ?
C18 H18 0.9500 . ?
C18 C13 1.367(8) . ?
C18 C17 1.374(8) . ?
C1 C2 1.475(9) . ?
C62 H62 0.9500 . ?
C62 C63 1.387(9) . ?
C62 C61 1.379(9) . ?
C52 C57 1.373(8) . ?
C52 C53 1.411(8) . ?
C59 H59 0.9500 . ?
C59 C58 1.389(8) . ?
C59 C60 1.376(9) . ?
C13 C14 1.399(8) . ?
C28 C29 1.403(9) . ?
C28 C33 1.377(9) . ?
C2 C12 1.431(8) . ?
C2 C3 1.376(8) . ?
C19 C24 1.381(8) . ?
C19 C20 1.416(8) . ?
C24 H24 0.9500 . ?
C24 C23 1.361(8) . ?
C58 C63 1.397(9) . ?
C10 C12 1.415(8) . ?
C10 C9 1.366(8) . ?
C12 C6 1.389(9) . ?
C3 H3 0.9500 . ?
C3 C4 1.414(9) . ?
C40 C45 1.388(9) . ?
C40 C41 1.420(8) . ?
C57 H57 0.9500 . ?
C57 C56 1.379(8) . ?
C17 H17 0.9500 . ?
C17 C16 1.387(9) . ?
C14 H14 0.9500 . ?
C14 C15 1.395(8) . ?
C7 H7 0.9500 . ?
C7 C8 1.393(9) . ?
C7 C6 1.415(9) . ?
C34 C35 1.411(9) . ?
C34 C39 1.396(9) . ?
C23 H23 0.9500 . ?
C23 C22 1.400(9) . ?
C63 H63 0.9500 . ?
C60 H60 0.9500 . ?
C60 C61 1.373(9) . ?
C8 H8 0.9500 . ?
C8 C9 1.416(9) . ?
C15 H15 0.9500 . ?
C15 C16 1.380(9) . ?
C45 H45 0.9500 . ?
C45 C44 1.377(9) . ?
C53 H53 0.9500 . ?
C53 C54 1.379(9) . ?
C61 H61 0.9500 . ?
C41 H41 0.9500 . ?
C41 C42 1.375(9) . ?
C21 H21 0.9500 . ?
C21 C20 1.393(8) . ?
C21 C22 1.383(9) . ?
C20 H20 0.9500 . ?
C51 H51 0.9500 . ?
C51 C46 1.400(8) . ?
C51 C50 1.381(9) . ?
C46 C47 1.396(8) . ?
C9 H9 0.9500 . ?
C6 C5 1.422(9) . ?
C29 H29 0.9500 . ?
C29 C30 1.383(10) . ?
C16 C26 1.530(8) . ?
C42 H42 0.9500 . ?
C42 C43 1.376(9) . ?
C47 H47 0.9500 . ?
C47 C48 1.377(10) . ?
C44 H44 0.9500 . ?
C44 C43 1.395(9) . ?
C56 H56 0.9500 . ?
C56 C55 1.382(9) . ?
C38 H38 0.9500 . ?
C38 C39 1.386(9) . ?
C38 C37 1.371(11) . ?
C22 C27 1.505(9) . ?
C50 H50 0.9500 . ?
C50 C49 1.381(9) . ?
C33 H33 0.9500 . ?
C33 C32 1.395(10) . ?
C35 H35 0.9500 . ?
C35 C36 1.379(9) . ?
C39 H39 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C43 H43 0.9500 . ?
C4 H4 0.9500 . ?
C4 C5 1.373(9) . ?
C54 H54 0.9500 . ?
C54 C55 1.379(9) . ?
C48 H48 0.9500 . ?
C48 C49 1.377(9) . ?
C5 H5 0.9500 . ?
C55 H55 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C30 H30 0.9500 . ?
C30 C31 1.339(12) . ?
C37 H37 0.9500 . ?
C37 C36 1.368(11) . ?
C36 H36 0.9500 . ?
C49 H49 0.9500 . ?
C31 H31 0.9500 . ?
C31 C32 1.376(11) . ?
C32 H32 0.9500 . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
Cl4 C65 1.764(14) . ?
Cl5 C65 1.603(15) . ?
C65 H65A 0.9900 . ?
C65 H65B 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 H 84.8(17) . . ?
P1 Ru1 P2 174.16(6) . . ?
P1 Ru1 H 89.4(17) . . ?
N1 Ru1 P2 94.60(13) . . ?
N1 Ru1 P1 91.22(13) . . ?
N1 Ru1 H 178(2) . . ?
N2 Ru1 P2 88.32(13) . . ?
N2 Ru1 P1 93.45(13) . . ?
N2 Ru1 N1 76.87(19) . . ?
N2 Ru1 H 101(2) . . ?
C25 Ru1 P2 90.77(19) . . ?
C25 Ru1 P1 87.34(19) . . ?
C25 Ru1 N1 104.5(2) . . ?
C25 Ru1 N2 178.4(2) . . ?
C25 Ru1 H 78(2) . . ?
C52 P2 Ru1 118.1(2) . . ?
C58 P2 Ru1 115.25(19) . . ?
C58 P2 C52 100.8(3) . . ?
C46 P2 Ru1 113.2(2) . . ?
C46 P2 C52 101.8(3) . . ?
C46 P2 C58 106.0(3) . . ?
C28 P1 Ru1 114.2(2) . . ?
C40 P1 Ru1 116.5(2) . . ?
C40 P1 C28 102.3(3) . . ?
C34 P1 Ru1 115.0(2) . . ?
C34 P1 C28 104.6(3) . . ?
C34 P1 C40 102.5(3) . . ?
O5 Cl1 O2 109.8(3) . . ?
O5 Cl1 O4 107.7(4) . . ?
O2 Cl1 O4 106.9(4) . . ?
O3 Cl1 O5 109.4(5) . . ?
O3 Cl1 O2 108.8(5) . . ?
O3 Cl1 O4 114.1(6) . . ?
C1 N1 Ru1 114.3(4) . . ?
C1 N1 C13 119.3(5) . . ?
C13 N1 Ru1 126.5(4) . . ?
C11 N2 Ru1 114.5(4) . . ?
C11 N2 C19 121.4(5) . . ?
C19 N2 Ru1 123.9(4) . . ?
O1 C25 Ru1 177.3(6) . . ?
N2 C11 C1 117.1(6) . . ?
N2 C11 C10 135.3(6) . . ?
C10 C11 C1 107.5(6) . . ?
C13 C18 H18 119.2 . . ?
C13 C18 C17 121.5(6) . . ?
C17 C18 H18 119.2 . . ?
N1 C1 C11 117.1(6) . . ?
N1 C1 C2 135.2(6) . . ?
C2 C1 C11 107.5(6) . . ?
C63 C62 H62 119.3 . . ?
C61 C62 H62 119.3 . . ?
C61 C62 C63 121.3(7) . . ?
C57 C52 P2 122.8(5) . . ?
C57 C52 C53 119.1(6) . . ?
C53 C52 P2 118.0(5) . . ?
C58 C59 H59 119.6 . . ?
C60 C59 H59 119.6 . . ?
C60 C59 C58 120.8(6) . . ?
C18 C13 N1 120.9(6) . . ?
C18 C13 C14 118.9(6) . . ?
C14 C13 N1 120.1(6) . . ?
C29 C28 P1 120.5(6) . . ?
C33 C28 P1 120.4(6) . . ?
C33 C28 C29 118.8(7) . . ?
C12 C2 C1 105.2(6) . . ?
C3 C2 C1 135.8(6) . . ?
C3 C2 C12 118.9(6) . . ?
C24 C19 N2 121.3(6) . . ?
C24 C19 C20 117.9(6) . . ?
C20 C19 N2 120.3(5) . . ?
C19 C24 H24 118.9 . . ?
C23 C24 C19 122.1(6) . . ?
C23 C24 H24 118.9 . . ?
C59 C58 P2 124.9(5) . . ?
C59 C58 C63 118.3(6) . . ?
C63 C58 P2 116.8(5) . . ?
C12 C10 C11 105.6(6) . . ?
C9 C10 C11 135.7(6) . . ?
C9 C10 C12 118.6(7) . . ?
C10 C12 C2 113.6(6) . . ?
C6 C12 C2 123.0(6) . . ?
C6 C12 C10 123.3(7) . . ?
C2 C3 H3 120.8 . . ?
C2 C3 C4 118.4(6) . . ?
C4 C3 H3 120.8 . . ?
C45 C40 P1 121.6(5) . . ?
C45 C40 C41 117.6(6) . . ?
C41 C40 P1 120.6(5) . . ?
C52 C57 H57 119.8 . . ?
C52 C57 C56 120.3(6) . . ?
C56 C57 H57 119.8 . . ?
C18 C17 H17 119.8 . . ?
C18 C17 C16 120.4(7) . . ?
C16 C17 H17 119.8 . . ?
C13 C14 H14 120.4 . . ?
C15 C14 C13 119.2(6) . . ?
C15 C14 H14 120.4 . . ?
C8 C7 H7 120.7 . . ?
C8 C7 C6 118.6(7) . . ?
C6 C7 H7 120.7 . . ?
C35 C34 P1 123.4(6) . . ?
C39 C34 P1 118.9(5) . . ?
C39 C34 C35 117.7(6) . . ?
C24 C23 H23 119.5 . . ?
C24 C23 C22 121.1(6) . . ?
C22 C23 H23 119.5 . . ?
C62 C63 C58 119.8(6) . . ?
C62 C63 H63 120.1 . . ?
C58 C63 H63 120.1 . . ?
C59 C60 H60 119.4 . . ?
C61 C60 C59 121.2(6) . . ?
C61 C60 H60 119.4 . . ?
C7 C8 H8 118.7 . . ?
C7 C8 C9 122.7(6) . . ?
C9 C8 H8 118.7 . . ?
C14 C15 H15 119.4 . . ?
C16 C15 C14 121.2(6) . . ?
C16 C15 H15 119.4 . . ?
C40 C45 H45 119.3 . . ?
C44 C45 C40 121.4(6) . . ?
C44 C45 H45 119.3 . . ?
C52 C53 H53 119.8 . . ?
C54 C53 C52 120.4(6) . . ?
C54 C53 H53 119.8 . . ?
C62 C61 H61 120.7 . . ?
C60 C61 C62 118.6(7) . . ?
C60 C61 H61 120.7 . . ?
C40 C41 H41 119.5 . . ?
C42 C41 C40 121.0(6) . . ?
C42 C41 H41 119.5 . . ?
C20 C21 H21 119.0 . . ?
C22 C21 H21 119.0 . . ?
C22 C21 C20 122.0(6) . . ?
C19 C20 H20 120.4 . . ?
C21 C20 C19 119.2(6) . . ?
C21 C20 H20 120.4 . . ?
C46 C51 H51 119.4 . . ?
C50 C51 H51 119.4 . . ?
C50 C51 C46 121.1(6) . . ?
C51 C46 P2 121.4(5) . . ?
C47 C46 P2 120.7(5) . . ?
C47 C46 C51 117.7(6) . . ?
C10 C9 C8 118.8(6) . . ?
C10 C9 H9 120.6 . . ?
C8 C9 H9 120.6 . . ?
C12 C6 C7 117.7(6) . . ?
C12 C6 C5 116.5(7) . . ?
C7 C6 C5 125.7(7) . . ?
C28 C29 H29 120.5 . . ?
C30 C29 C28 119.0(8) . . ?
C30 C29 H29 120.5 . . ?
C17 C16 C26 121.6(6) . . ?
C15 C16 C17 118.5(6) . . ?
C15 C16 C26 119.9(6) . . ?
C41 C42 H42 120.0 . . ?
C41 C42 C43 119.9(6) . . ?
C43 C42 H42 120.0 . . ?
C46 C47 H47 119.9 . . ?
C48 C47 C46 120.2(6) . . ?
C48 C47 H47 119.9 . . ?
C45 C44 H44 120.1 . . ?
C45 C44 C43 119.7(6) . . ?
C43 C44 H44 120.1 . . ?
C57 C56 H56 119.8 . . ?
C57 C56 C55 120.4(6) . . ?
C55 C56 H56 119.8 . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C37 C38 C39 120.4(8) . . ?
C23 C22 C27 121.4(6) . . ?
C21 C22 C23 117.6(6) . . ?
C21 C22 C27 121.1(6) . . ?
C51 C50 H50 119.7 . . ?
C51 C50 C49 120.7(7) . . ?
C49 C50 H50 119.7 . . ?
C28 C33 H33 119.6 . . ?
C28 C33 C32 120.8(8) . . ?
C32 C33 H33 119.6 . . ?
C34 C35 H35 120.6 . . ?
C36 C35 C34 118.7(7) . . ?
C36 C35 H35 120.6 . . ?
C34 C39 H39 119.2 . . ?
C38 C39 C34 121.5(7) . . ?
C38 C39 H39 119.2 . . ?
C16 C26 H26A 109.5 . . ?
C16 C26 H26B 109.5 . . ?
C16 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C42 C43 C44 120.3(6) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 H43 119.9 . . ?
C3 C4 H4 118.8 . . ?
C5 C4 C3 122.4(7) . . ?
C5 C4 H4 118.8 . . ?
C53 C54 H54 120.3 . . ?
C55 C54 C53 119.5(6) . . ?
C55 C54 H54 120.3 . . ?
C47 C48 H48 119.0 . . ?
C47 C48 C49 122.0(7) . . ?
C49 C48 H48 119.0 . . ?
C6 C5 H5 119.8 . . ?
C4 C5 C6 120.5(7) . . ?
C4 C5 H5 119.8 . . ?
C56 C55 H55 119.9 . . ?
C54 C55 C56 120.3(6) . . ?
C54 C55 H55 119.9 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C30 H30 119.3 . . ?
C31 C30 C29 121.5(9) . . ?
C31 C30 H30 119.3 . . ?
C38 C37 H37 120.8 . . ?
C36 C37 C38 118.4(7) . . ?
C36 C37 H37 120.8 . . ?
C35 C36 H36 118.4 . . ?
C37 C36 C35 123.3(8) . . ?
C37 C36 H36 118.4 . . ?
C50 C49 H49 120.8 . . ?
C48 C49 C50 118.3(7) . . ?
C48 C49 H49 120.8 . . ?
C30 C31 H31 119.6 . . ?
C30 C31 C32 120.9(10) . . ?
C32 C31 H31 119.6 . . ?
C33 C32 H32 120.5 . . ?
C31 C32 C33 118.9(9) . . ?
C31 C32 H32 120.5 . . ?
Cl3 C64 H64A 111.4 . . ?
Cl3 C64 H64B 111.4 . . ?
Cl2 C64 Cl3 101.9(6) . . ?
Cl2 C64 H64A 111.4 . . ?
Cl2 C64 H64B 111.4 . . ?
H64A C64 H64B 109.2 . . ?
Cl4 C65 H65A 108.0 . . ?
Cl4 C65 H65B 108.0 . . ?
Cl5 C65 Cl4 117.2(8) . . ?
Cl5 C65 H65A 108.0 . . ?
Cl5 C65 H65B 108.0 . . ?
H65A C65 H65B 107.2 . . ?

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 C52 C57 -21.1(7) . . . . ?
Ru1 P2 C52 C53 163.0(5) . . . . ?
Ru1 P2 C58 C59 115.2(5) . . . . ?
Ru1 P2 C58 C63 -67.4(5) . . . . ?
Ru1 P2 C46 C51 -63.4(6) . . . . ?
Ru1 P2 C46 C47 111.2(5) . . . . ?
Ru1 P1 C28 C29 -109.9(5) . . . . ?
Ru1 P1 C28 C33 64.6(6) . . . . ?
Ru1 P1 C40 C45 30.6(6) . . . . ?
Ru1 P1 C40 C41 -153.3(5) . . . . ?
Ru1 P1 C34 C35 -128.4(5) . . . . ?
Ru1 P1 C34 C39 51.9(6) . . . . ?
Ru1 N1 C1 C11 -2.1(7) . . . . ?
Ru1 N1 C1 C2 172.9(6) . . . . ?
Ru1 N1 C13 C18 -49.3(7) . . . . ?
Ru1 N1 C13 C14 126.8(5) . . . . ?
Ru1 N2 C11 C1 -0.8(6) . . . . ?
Ru1 N2 C11 C10 176.8(6) . . . . ?
Ru1 N2 C19 C24 -46.3(8) . . . . ?
Ru1 N2 C19 C20 125.6(5) . . . . ?
P2 C52 C57 C56 -174.7(5) . . . . ?
P2 C52 C53 C54 175.0(6) . . . . ?
P2 C58 C63 C62 -178.4(5) . . . . ?
P2 C46 C47 C48 -173.7(5) . . . . ?
P1 C28 C29 C30 171.6(5) . . . . ?
P1 C28 C33 C32 -173.2(5) . . . . ?
P1 C40 C45 C44 173.8(6) . . . . ?
P1 C40 C41 C42 -174.7(5) . . . . ?
P1 C34 C35 C36 180.0(5) . . . . ?
P1 C34 C39 C38 179.9(5) . . . . ?
N1 C1 C2 C12 178.8(7) . . . . ?
N1 C1 C2 C3 -4.3(13) . . . . ?
N1 C13 C14 C15 179.8(5) . . . . ?
N2 C11 C1 N1 2.0(8) . . . . ?
N2 C11 C1 C2 -174.3(5) . . . . ?
N2 C11 C10 C12 176.2(6) . . . . ?
N2 C11 C10 C9 -7.2(12) . . . . ?
N2 C19 C24 C23 171.6(6) . . . . ?
N2 C19 C20 C21 -171.2(6) . . . . ?
C11 N2 C19 C24 137.5(6) . . . . ?
C11 N2 C19 C20 -50.5(8) . . . . ?
C11 C1 C2 C12 -5.8(6) . . . . ?
C11 C1 C2 C3 171.1(7) . . . . ?
C11 C10 C12 C2 2.5(7) . . . . ?
C11 C10 C12 C6 -176.8(6) . . . . ?
C11 C10 C9 C8 -179.8(6) . . . . ?
C18 C13 C14 C15 -4.1(9) . . . . ?
C18 C17 C16 C15 -3.3(9) . . . . ?
C18 C17 C16 C26 177.9(6) . . . . ?
C1 N1 C13 C18 132.7(6) . . . . ?
C1 N1 C13 C14 -51.2(8) . . . . ?
C1 C11 C10 C12 -6.1(6) . . . . ?
C1 C11 C10 C9 170.6(7) . . . . ?
C1 C2 C12 C10 2.1(7) . . . . ?
C1 C2 C12 C6 -178.5(6) . . . . ?
C1 C2 C3 C4 -176.8(7) . . . . ?
C52 P2 C58 C59 -116.5(5) . . . . ?
C52 P2 C58 C63 60.9(5) . . . . ?
C52 P2 C46 C51 168.9(5) . . . . ?
C52 P2 C46 C47 -16.6(6) . . . . ?
C52 C57 C56 C55 -1.1(10) . . . . ?
C52 C53 C54 C55 0.9(12) . . . . ?
C59 C58 C63 C62 -0.8(9) . . . . ?
C59 C60 C61 C62 0.5(10) . . . . ?
C13 N1 C1 C11 176.1(5) . . . . ?
C13 N1 C1 C2 -8.9(10) . . . . ?
C13 C18 C17 C16 -0.9(9) . . . . ?
C13 C14 C15 C16 -0.1(9) . . . . ?
C28 P1 C40 C45 -94.7(6) . . . . ?
C28 P1 C40 C41 81.4(6) . . . . ?
C28 P1 C34 C35 -2.2(6) . . . . ?
C28 P1 C34 C39 178.0(5) . . . . ?
C28 C29 C30 C31 2.7(11) . . . . ?
C28 C33 C32 C31 0.7(11) . . . . ?
C2 C12 C6 C7 177.1(6) . . . . ?
C2 C12 C6 C5 -3.5(9) . . . . ?
C2 C3 C4 C5 -3.8(10) . . . . ?
C19 N2 C11 C1 175.7(5) . . . . ?
C19 N2 C11 C10 -6.8(10) . . . . ?
C19 C24 C23 C22 -1.7(11) . . . . ?
C24 C19 C20 C21 1.0(9) . . . . ?
C24 C23 C22 C21 3.4(10) . . . . ?
C24 C23 C22 C27 -174.3(7) . . . . ?
C58 P2 C52 C57 -147.5(6) . . . . ?
C58 P2 C52 C53 36.6(6) . . . . ?
C58 P2 C46 C51 63.9(6) . . . . ?
C58 P2 C46 C47 -121.6(5) . . . . ?
C58 C59 C60 C61 -1.5(10) . . . . ?
C10 C11 C1 N1 -176.2(5) . . . . ?
C10 C11 C1 C2 7.5(6) . . . . ?
C10 C12 C6 C7 -3.5(10) . . . . ?
C10 C12 C6 C5 175.8(6) . . . . ?
C12 C2 C3 C4 -0.2(9) . . . . ?
C12 C10 C9 C8 -3.4(9) . . . . ?
C12 C6 C5 C4 -0.5(10) . . . . ?
C3 C2 C12 C10 -175.5(6) . . . . ?
C3 C2 C12 C6 3.9(10) . . . . ?
C3 C4 C5 C6 4.2(11) . . . . ?
C40 P1 C28 C29 16.9(6) . . . . ?
C40 P1 C28 C33 -168.6(5) . . . . ?
C40 P1 C34 C35 104.2(6) . . . . ?
C40 P1 C34 C39 -75.6(5) . . . . ?
C40 C45 C44 C43 2.6(11) . . . . ?
C40 C41 C42 C43 -0.7(11) . . . . ?
C57 C52 C53 C54 -1.0(11) . . . . ?
C57 C56 C55 C54 1.0(11) . . . . ?
C17 C18 C13 N1 -179.3(5) . . . . ?
C17 C18 C13 C14 4.7(9) . . . . ?
C14 C15 C16 C17 3.8(10) . . . . ?
C14 C15 C16 C26 -177.5(6) . . . . ?
C7 C8 C9 C10 -0.9(9) . . . . ?
C7 C6 C5 C4 178.8(7) . . . . ?
C34 P1 C28 C29 123.4(5) . . . . ?
C34 P1 C28 C33 -62.0(6) . . . . ?
C34 P1 C40 C45 157.1(6) . . . . ?
C34 P1 C40 C41 -26.8(6) . . . . ?
C34 C35 C36 C37 -0.1(10) . . . . ?
C63 C62 C61 C60 0.3(10) . . . . ?
C60 C59 C58 P2 179.0(5) . . . . ?
C60 C59 C58 C63 1.7(9) . . . . ?
C8 C7 C6 C12 -0.9(9) . . . . ?
C8 C7 C6 C5 179.8(6) . . . . ?
C45 C40 C41 C42 1.5(10) . . . . ?
C45 C44 C43 C42 -1.7(11) . . . . ?
C53 C52 C57 C56 1.1(10) . . . . ?
C53 C54 C55 C56 -0.9(12) . . . . ?
C61 C62 C63 C58 -0.1(10) . . . . ?
C41 C40 C45 C44 -2.4(10) . . . . ?
C41 C42 C43 C44 0.8(11) . . . . ?
C20 C19 C24 C23 -0.5(10) . . . . ?
C20 C21 C22 C23 -2.9(10) . . . . ?
C20 C21 C22 C27 174.8(6) . . . . ?
C51 C46 C47 C48 1.1(10) . . . . ?
C51 C50 C49 C48 0.3(11) . . . . ?
C46 P2 C52 C57 103.5(6) . . . . ?
C46 P2 C52 C53 -72.4(6) . . . . ?
C46 P2 C58 C59 -10.8(6) . . . . ?
C46 P2 C58 C63 166.6(5) . . . . ?
C46 C51 C50 C49 0.0(10) . . . . ?
C46 C47 C48 C49 -0.8(11) . . . . ?
C9 C10 C12 C2 -174.8(5) . . . . ?
C9 C10 C12 C6 5.8(9) . . . . ?
C6 C7 C8 C9 3.2(10) . . . . ?
C29 C28 C33 C32 1.4(10) . . . . ?
C29 C30 C31 C32 -0.6(13) . . . . ?
C47 C48 C49 C50 0.0(11) . . . . ?
C38 C37 C36 C35 0.6(11) . . . . ?
C22 C21 C20 C19 0.7(10) . . . . ?
C50 C51 C46 P2 174.0(5) . . . . ?
C50 C51 C46 C47 -0.7(10) . . . . ?
C33 C28 C29 C30 -3.0(10) . . . . ?
C35 C34 C39 C38 0.2(9) . . . . ?
C39 C34 C35 C36 -0.3(9) . . . . ?
C39 C38 C37 C36 -0.8(10) . . . . ?
C30 C31 C32 C33 -1.1(12) . . . . ?
C37 C38 C39 C34 0.4(10) . . . . ?

_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_1e_ClO4
_database_code_depnum_ccdc_archive 'CCDC 1515772'
_audit_update_record             
;
2016-11-09 deposited with the CCDC.
2017-03-17 downloaded from the CCDC.
;
_audit_creation_date             2016-11-08
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C61 H45 N4 O5 P2 Ru, Cl O4, C H2 Cl2'
_chemical_formula_sum            'C62 H47 Cl3 N4 O9 P2 Ru'
_chemical_formula_weight         1261.39
_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'
Cl Cl 0.1484 0.1585 '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'
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'

_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                   11.897(2)
_cell_length_b                   13.638(3)
_cell_length_c                   20.788(4)
_cell_angle_alpha                100.4470(10)
_cell_angle_beta                 100.464(2)
_cell_angle_gamma                113.912(2)
_cell_volume                     2907.6(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    10198
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.8
_cell_measurement_theta_min      2.56
_shelx_estimated_absorpt_T_max   0.930
_shelx_estimated_absorpt_T_min   0.850
_exptl_absorpt_coefficient_mu    0.523
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_unetI/netI     0.0329
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            41249
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.038
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Saturn724+ (4x4 bin mode)'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9395
_reflns_number_total             10198
_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       'CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b24 (Rigaku, 2012)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         1.623
_refine_diff_density_min         -1.427
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     734
_refine_ls_number_reflns         10198
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0453
_refine_ls_restrained_S_all      0.956
_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)+(0.0551P)²+9.4413P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1146
_refine_ls_wR_factor_ref         0.1180
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C62(H62A,H62B)
2.b Aromatic/amide H refined with riding coordinates:
 C36(H36), C24(H24), C17(H17), C37(H37), C43(H43), C18(H18), C41(H41),
 C31(H31), C51(H51), C23(H23), C33(H33), C34(H34), C15(H15), C30(H30), C53(H53),
  C61(H61), C55(H55), C35(H35), C39(H39), C52(H52), C9(H9), C20(H20), C21(H21),
 C28(H28), C40(H40), C14(H14), C45(H45), C42(H42), C58(H58), C59(H59), C57(H57),
  C49(H49), C8(H8), C7(H7), C27(H27), C47(H47), C3(H3), C29(H29), C60(H60),
 C54(H54), C5(H5), C4(H4), C46(H46), C48(H48)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_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 0.92382(2) 0.34048(2) 0.29466(2) 0.01426(9) Uani 1 1 d . . . . .
P2 P 0.69709(7) 0.27630(6) 0.27555(4) 0.01571(17) Uani 1 1 d . . . . .
P1 P 1.14485(7) 0.38890(6) 0.32622(4) 0.01528(17) Uani 1 1 d . . . . .
Cl1 Cl 0.45413(12) 0.76557(11) 0.20700(6) 0.0619(4) Uani 1 1 d . . . . .
Cl2 Cl 0.85653(15) 0.90692(14) 0.36520(8) 0.0761(4) Uani 1 1 d . . . . .
Cl3 Cl 0.97112(19) 0.92380(17) 0.25287(10) 0.0929(5) Uani 1 1 d . . . . .
N4 N 1.1718(3) 0.9128(2) 0.45620(14) 0.0245(6) Uani 1 1 d . . . . .
O5 O 1.2810(2) 0.9804(2) 0.46129(13) 0.0342(6) Uani 1 1 d . . . . .
N1 N 0.9031(2) 0.2881(2) 0.18794(13) 0.0172(5) Uani 1 1 d . . . . .
C25 C 0.9321(3) 0.3734(3) 0.38606(17) 0.0202(7) Uani 1 1 d . . . . .
N2 N 0.9628(2) 0.4931(2) 0.26214(13) 0.0169(5) Uani 1 1 d . . . . .
O1 O 0.9332(2) 0.3862(2) 0.44276(12) 0.0306(6) Uani 1 1 d . . . . .
O4 O 1.1100(3) 0.9287(2) 0.49427(15) 0.0414(7) Uani 1 1 d . . . . .
O3 O 0.8755(3) -0.1541(2) 0.01123(14) 0.0449(7) Uani 1 1 d . . . . .
C32 C 1.2497(3) 0.5372(3) 0.37220(16) 0.0183(6) Uani 1 1 d . . . . .
C22 C 1.1133(3) 0.8062(3) 0.40233(16) 0.0200(7) Uani 1 1 d . . . . .
C36 C 1.3010(3) 0.6914(3) 0.46959(16) 0.0224(7) Uani 1 1 d . . . . .
H36 H 1.2836 0.7198 0.5098 0.027 Uiso 1 1 calc R . . . .
C24 C 0.9535(3) 0.6181(3) 0.35776(17) 0.0223(7) Uani 1 1 d . . . . .
H24 H 0.8790 0.5572 0.3595 0.027 Uiso 1 1 calc R . . . .
C19 C 1.0119(3) 0.6028(3) 0.30726(16) 0.0178(6) Uani 1 1 d . . . . .
C17 C 0.9323(3) 0.0583(3) 0.07700(17) 0.0270(8) Uani 1 1 d . . . . .
H17 H 0.9846 0.0481 0.0495 0.032 Uiso 1 1 calc R . . . .
O2 O 0.7061(3) -0.2240(2) 0.0441(2) 0.0604(10) Uani 1 1 d . . . . .
C37 C 1.2254(3) 0.5816(3) 0.43144(16) 0.0202(7) Uani 1 1 d . . . . .
H37 H 1.1557 0.5353 0.4455 0.024 Uiso 1 1 calc R . . . .
C44 C 0.5926(3) 0.2040(3) 0.18796(16) 0.0221(7) Uani 1 1 d . . . . .
N3 N 0.8019(3) -0.1451(3) 0.04360(16) 0.0348(7) Uani 1 1 d . . . . .
C56 C 0.6571(3) 0.3894(3) 0.30608(16) 0.0192(6) Uani 1 1 d . . . . .
C43 C 1.3304(3) 0.3601(3) 0.41151(17) 0.0220(7) Uani 1 1 d . . . . .
H43 H 1.3888 0.4196 0.3987 0.026 Uiso 1 1 calc R . . . .
C26 C 1.2076(3) 0.3582(3) 0.25529(16) 0.0201(7) Uani 1 1 d . . . . .
C13 C 0.8793(3) 0.1778(3) 0.15219(15) 0.0185(6) Uani 1 1 d . . . . .
C18 C 0.9560(3) 0.1649(3) 0.11164(16) 0.0236(7) Uani 1 1 d . . . . .
H18 H 1.0244 0.2288 0.1076 0.028 Uiso 1 1 calc R . . . .
C41 C 1.2910(3) 0.2243(3) 0.47437(17) 0.0255(7) Uani 1 1 d . . . . .
H41 H 1.3224 0.1903 0.5043 0.031 Uiso 1 1 calc R . . . .
C31 C 1.2276(3) 0.4242(3) 0.21014(17) 0.0248(7) Uani 1 1 d . . . . .
H31 H 1.2060 0.4845 0.2156 0.030 Uiso 1 1 calc R . . . .
C50 C 0.6245(3) 0.1783(3) 0.32252(16) 0.0191(6) Uani 1 1 d . . . . .
C51 C 0.5066(3) 0.1626(3) 0.33312(17) 0.0234(7) Uani 1 1 d . . . . .
H51 H 0.4657 0.2036 0.3162 0.028 Uiso 1 1 calc R . . . .
C23 C 1.0025(3) 0.7207(3) 0.40540(17) 0.0236(7) Uani 1 1 d . . . . .
H23 H 0.9615 0.7322 0.4392 0.028 Uiso 1 1 calc R . . . .
C38 C 1.1985(3) 0.3226(3) 0.38592(15) 0.0182(6) Uani 1 1 d . . . . .
C33 C 1.3525(3) 0.6075(3) 0.35266(17) 0.0204(7) Uani 1 1 d . . . . .
H33 H 1.3712 0.5794 0.3129 0.024 Uiso 1 1 calc R . . . .
C34 C 1.4278(3) 0.7188(3) 0.39126(18) 0.0236(7) Uani 1 1 d . . . . .
H34 H 1.4971 0.7661 0.3773 0.028 Uiso 1 1 calc R . . . .
C15 C 0.7564(3) -0.0218(3) 0.12506(18) 0.0263(7) Uani 1 1 d . . . . .
H15 H 0.6883 -0.0859 0.1290 0.032 Uiso 1 1 calc R . . . .
C30 C 1.2784(3) 0.4022(3) 0.15761(18) 0.0322(8) Uani 1 1 d . . . . .
H30 H 1.2949 0.4494 0.1285 0.039 Uiso 1 1 calc R . . . .
C53 C 0.5085(3) 0.0273(3) 0.39206(18) 0.0285(8) Uani 1 1 d . . . . .
H53 H 0.4694 -0.0236 0.4163 0.034 Uiso 1 1 calc R . . . .
C61 C 0.6214(3) 0.4472(3) 0.26457(19) 0.0276(8) Uani 1 1 d . . . . .
H61 H 0.6047 0.4216 0.2166 0.033 Uiso 1 1 calc R . . . .
C55 C 0.6818(3) 0.1161(3) 0.34637(17) 0.0240(7) Uani 1 1 d . . . . .
H55 H 0.7614 0.1252 0.3389 0.029 Uiso 1 1 calc R . . . .
C35 C 1.4026(3) 0.7607(3) 0.44956(17) 0.0230(7) Uani 1 1 d . . . . .
H35 H 1.4544 0.8364 0.4758 0.028 Uiso 1 1 calc R . . . .
C39 C 1.1140(3) 0.2358(3) 0.40534(17) 0.0234(7) Uani 1 1 d . . . . .
H39 H 1.0242 0.2094 0.3881 0.028 Uiso 1 1 calc R . . . .
C52 C 0.4491(3) 0.0884(3) 0.36776(18) 0.0271(8) Uani 1 1 d . . . . .
H52 H 0.3692 0.0788 0.3751 0.032 Uiso 1 1 calc R . . . .
C1 C 0.9091(3) 0.3618(3) 0.15501(16) 0.0194(7) Uani 1 1 d . . . . .
C9 C 0.9572(4) 0.6521(3) 0.15654(19) 0.0326(8) Uani 1 1 d . . . . .
H9 H 0.9868 0.7040 0.2003 0.039 Uiso 1 1 calc R . . . .
C20 C 1.1230(3) 0.6906(3) 0.30476(16) 0.0195(6) Uani 1 1 d . . . . .
H20 H 1.1632 0.6802 0.2704 0.023 Uiso 1 1 calc R . . . .
C21 C 1.1738(3) 0.7935(3) 0.35333(16) 0.0204(7) Uani 1 1 d . . . . .
H21 H 1.2495 0.8543 0.3527 0.024 Uiso 1 1 calc R . . . .
C28 C 1.2814(4) 0.2438(4) 0.18954(19) 0.0355(9) Uani 1 1 d . . . . .
H28 H 1.2978 0.1806 0.1818 0.043 Uiso 1 1 calc R . . . .
C12 C 0.8963(3) 0.4690(3) 0.08345(17) 0.0257(7) Uani 1 1 d . . . . .
C40 C 1.1609(3) 0.1874(3) 0.44998(18) 0.0275(8) Uani 1 1 d . . . . .
H40 H 1.1029 0.1287 0.4636 0.033 Uiso 1 1 calc R . . . .
C14 C 0.7832(3) 0.0845(3) 0.16090(17) 0.0229(7) Uani 1 1 d . . . . .
H14 H 0.7359 0.0940 0.1917 0.027 Uiso 1 1 calc R . . . .
C45 C 0.6088(3) 0.2572(3) 0.13669(18) 0.0291(8) Uani 1 1 d . . . . .
H45 H 0.6699 0.3336 0.1480 0.035 Uiso 1 1 calc R . . . .
C11 C 0.9450(3) 0.4767(3) 0.19705(16) 0.0196(7) Uani 1 1 d . . . . .
C10 C 0.9396(3) 0.5440(3) 0.14981(17) 0.0253(7) Uani 1 1 d . . . . .
C42 C 1.3766(3) 0.3111(3) 0.45540(17) 0.0247(7) Uani 1 1 d . . . . .
H42 H 1.4663 0.3367 0.4725 0.030 Uiso 1 1 calc R . . . .
C58 C 0.6660(3) 0.5218(3) 0.4045(2) 0.0298(8) Uani 1 1 d . . . . .
H58 H 0.6808 0.5472 0.4523 0.036 Uiso 1 1 calc R . . . .
C59 C 0.6336(3) 0.5798(3) 0.3625(2) 0.0343(9) Uani 1 1 d . . . . .
H59 H 0.6274 0.6456 0.3817 0.041 Uiso 1 1 calc R . . . .
C16 C 0.8314(3) -0.0326(3) 0.08316(17) 0.0256(7) Uani 1 1 d . . . . .
C57 C 0.6770(3) 0.4266(3) 0.37688(17) 0.0234(7) Uani 1 1 d . . . . .
H57 H 0.6982 0.3864 0.4058 0.028 Uiso 1 1 calc R . . . .
C49 C 0.5038(3) 0.0915(3) 0.1703(2) 0.0322(8) Uani 1 1 d . . . . .
H49 H 0.4919 0.0538 0.2045 0.039 Uiso 1 1 calc R . . . .
C8 C 0.9302(4) 0.6837(3) 0.0969(2) 0.0419(10) Uani 1 1 d . . . . .
H8 H 0.9430 0.7583 0.1013 0.050 Uiso 1 1 calc R . . . .
C7 C 0.8862(4) 0.6109(4) 0.0329(2) 0.0405(10) Uani 1 1 d . . . . .
H7 H 0.8689 0.6357 -0.0059 0.049 Uiso 1 1 calc R . . . .
C27 C 1.2334(3) 0.2665(3) 0.24387(18) 0.0269(7) Uani 1 1 d . . . . .
H27 H 1.2182 0.2194 0.2731 0.032 Uiso 1 1 calc R . . . .
C47 C 0.4500(4) 0.0884(4) 0.0527(2) 0.0499(12) Uani 1 1 d . . . . .
H47 H 0.4019 0.0485 0.0065 0.060 Uiso 1 1 calc R . . . .
C3 C 0.8294(4) 0.2785(3) 0.02154(18) 0.0312(8) Uani 1 1 d . . . . .
H3 H 0.8158 0.2043 0.0197 0.037 Uiso 1 1 calc R . . . .
C29 C 1.3053(4) 0.3117(4) 0.14723(18) 0.0367(9) Uani 1 1 d . . . . .
H29 H 1.3400 0.2968 0.1111 0.044 Uiso 1 1 calc R . . . .
C2 C 0.8792(3) 0.3600(3) 0.08317(17) 0.0246(7) Uani 1 1 d . . . . .
C60 C 0.6100(4) 0.5421(3) 0.2927(2) 0.0358(9) Uani 1 1 d . . . . .
H60 H 0.5860 0.5812 0.2639 0.043 Uiso 1 1 calc R . . . .
C54 C 0.6236(3) 0.0408(3) 0.38093(19) 0.0290(8) Uani 1 1 d . . . . .
H54 H 0.6633 -0.0016 0.3969 0.035 Uiso 1 1 calc R . . . .
C6 C 0.8664(4) 0.4996(3) 0.02398(19) 0.0334(8) Uani 1 1 d . . . . .
C5 C 0.8173(4) 0.4137(4) -0.03819(19) 0.0404(10) Uani 1 1 d . . . . .
H5 H 0.7970 0.4299 -0.0801 0.048 Uiso 1 1 calc R . . . .
C4 C 0.7989(4) 0.3079(4) -0.03899(19) 0.0399(10) Uani 1 1 d . . . . .
H4 H 0.7644 0.2520 -0.0816 0.048 Uiso 1 1 calc R . . . .
C46 C 0.5371(4) 0.2005(4) 0.0692(2) 0.0407(10) Uani 1 1 d . . . . .
H46 H 0.5475 0.2381 0.0348 0.049 Uiso 1 1 calc R . . . .
C48 C 0.4328(4) 0.0346(4) 0.1029(2) 0.0477(11) Uani 1 1 d . . . . .
H48 H 0.3721 -0.0419 0.0912 0.057 Uiso 1 1 calc R . . . .
C62 C 0.8375(7) 0.8568(9) 0.2793(4) 0.128(4) Uani 1 1 d . . . . .
H62A H 0.7649 0.8642 0.2526 0.154 Uiso 1 1 calc R . . . .
H62B H 0.8145 0.7761 0.2687 0.154 Uiso 1 1 calc R . . . .
O8 O 0.3314(5) 0.6957(5) 0.2011(2) 0.115(2) Uani 1 1 d . . . . .
O9 O 0.5442(4) 0.7757(5) 0.2650(2) 0.1065(18) Uani 1 1 d . . . . .
O6 O 0.4894(6) 0.8280(8) 0.1696(5) 0.196(5) Uani 1 1 d . . . . .
O7 O 0.4689(12) 0.6800(11) 0.1548(6) 0.287(7) Uani 1 1 d . . . . .
H H 0.895(3) 0.220(3) 0.2979(17) 0.017(8) Uiso 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 P2 2.4022(9) . ?
Ru1 P1 2.3643(9) . ?
Ru1 N1 2.139(3) . ?
Ru1 C25 1.846(3) . ?
Ru1 N2 2.201(3) . ?
Ru1 H 1.55(3) . ?
P2 C44 1.835(3) . ?
P2 C56 1.833(3) . ?
P2 C50 1.824(3) . ?
P1 C32 1.839(3) . ?
P1 C26 1.827(3) . ?
P1 C38 1.831(3) . ?
Cl1 O8 1.348(5) . ?
Cl1 O9 1.404(4) . ?
Cl1 O6 1.255(5) . ?
Cl1 O7 1.531(10) . ?
Cl2 C62 1.730(7) . ?
Cl3 C62 1.728(8) . ?
N4 O5 1.221(4) . ?
N4 O4 1.222(4) . ?
N4 C22 1.469(4) . ?
N1 C13 1.438(4) . ?
N1 C1 1.302(4) . ?
C25 O1 1.157(4) . ?
N2 C19 1.430(4) . ?
N2 C11 1.294(4) . ?
O3 N3 1.226(4) . ?
C32 C37 1.402(4) . ?
C32 C33 1.397(4) . ?
C22 C23 1.383(5) . ?
C22 C21 1.375(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.378(5) . ?
C36 C35 1.387(5) . ?
C24 H24 0.9500 . ?
C24 C19 1.390(5) . ?
C24 C23 1.380(5) . ?
C19 C20 1.395(4) . ?
C17 H17 0.9500 . ?
C17 C18 1.388(5) . ?
C17 C16 1.379(5) . ?
O2 N3 1.213(5) . ?
C37 H37 0.9500 . ?
C44 C45 1.393(5) . ?
C44 C49 1.395(5) . ?
N3 C16 1.468(4) . ?
C56 C61 1.390(5) . ?
C56 C57 1.409(5) . ?
C43 H43 0.9500 . ?
C43 C38 1.399(5) . ?
C43 C42 1.384(5) . ?
C26 C31 1.401(5) . ?
C26 C27 1.393(5) . ?
C13 C18 1.389(5) . ?
C13 C14 1.392(5) . ?
C18 H18 0.9500 . ?
C41 H41 0.9500 . ?
C41 C40 1.377(5) . ?
C41 C42 1.390(5) . ?
C31 H31 0.9500 . ?
C31 C30 1.384(5) . ?
C50 C51 1.395(5) . ?
C50 C55 1.389(5) . ?
C51 H51 0.9500 . ?
C51 C52 1.376(5) . ?
C23 H23 0.9500 . ?
C38 C39 1.389(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.394(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.380(5) . ?
C15 H15 0.9500 . ?
C15 C14 1.381(5) . ?
C15 C16 1.385(5) . ?
C30 H30 0.9500 . ?
C30 C29 1.385(6) . ?
C53 H53 0.9500 . ?
C53 C52 1.396(5) . ?
C53 C54 1.374(5) . ?
C61 H61 0.9500 . ?
C61 C60 1.389(5) . ?
C55 H55 0.9500 . ?
C55 C54 1.387(5) . ?
C35 H35 0.9500 . ?
C39 H39 0.9500 . ?
C39 C40 1.393(5) . ?
C52 H52 0.9500 . ?
C1 C11 1.492(4) . ?
C1 C2 1.464(4) . ?
C9 H9 0.9500 . ?
C9 C10 1.379(5) . ?
C9 C8 1.410(5) . ?
C20 H20 0.9500 . ?
C20 C21 1.389(5) . ?
C21 H21 0.9500 . ?
C28 H28 0.9500 . ?
C28 C27 1.397(5) . ?
C28 C29 1.373(6) . ?
C12 C10 1.420(5) . ?
C12 C2 1.415(5) . ?
C12 C6 1.406(5) . ?
C40 H40 0.9500 . ?
C14 H14 0.9500 . ?
C45 H45 0.9500 . ?
C45 C46 1.389(5) . ?
C11 C10 1.470(5) . ?
C42 H42 0.9500 . ?
C58 H58 0.9500 . ?
C58 C59 1.381(6) . ?
C58 C57 1.389(5) . ?
C59 H59 0.9500 . ?
C59 C60 1.384(6) . ?
C57 H57 0.9500 . ?
C49 H49 0.9500 . ?
C49 C48 1.387(6) . ?
C8 H8 0.9500 . ?
C8 C7 1.370(6) . ?
C7 H7 0.9500 . ?
C7 C6 1.410(6) . ?
C27 H27 0.9500 . ?
C47 H47 0.9500 . ?
C47 C46 1.388(7) . ?
C47 C48 1.379(7) . ?
C3 H3 0.9500 . ?
C3 C2 1.379(5) . ?
C3 C4 1.418(5) . ?
C29 H29 0.9500 . ?
C60 H60 0.9500 . ?
C54 H54 0.9500 . ?
C6 C5 1.417(6) . ?
C5 H5 0.9500 . ?
C5 C4 1.365(6) . ?
C4 H4 0.9500 . ?
C46 H46 0.9500 . ?
C48 H48 0.9500 . ?
C62 H62A 0.9900 . ?
C62 H62B 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 H 85.2(12) . . ?
P1 Ru1 P2 171.29(3) . . ?
P1 Ru1 H 88.4(12) . . ?
N1 Ru1 P2 92.28(7) . . ?
N1 Ru1 P1 93.50(7) . . ?
N1 Ru1 N2 75.90(10) . . ?
N1 Ru1 H 89.0(12) . . ?
C25 Ru1 P2 85.04(10) . . ?
C25 Ru1 P1 88.72(10) . . ?
C25 Ru1 N1 175.15(12) . . ?
C25 Ru1 N2 108.39(12) . . ?
C25 Ru1 H 86.8(12) . . ?
N2 Ru1 P2 96.73(7) . . ?
N2 Ru1 P1 91.00(7) . . ?
N2 Ru1 H 164.8(12) . . ?
C44 P2 Ru1 118.15(11) . . ?
C56 P2 Ru1 112.55(10) . . ?
C56 P2 C44 105.32(15) . . ?
C56 P2 C50 101.77(15) . . ?
C50 P2 Ru1 114.52(11) . . ?
C50 P2 C44 102.73(15) . . ?
C32 P1 Ru1 114.34(10) . . ?
C26 P1 Ru1 114.76(10) . . ?
C26 P1 C32 105.70(15) . . ?
C26 P1 C38 102.73(15) . . ?
C38 P1 Ru1 117.19(11) . . ?
C38 P1 C32 100.34(14) . . ?
O8 Cl1 O9 114.8(3) . . ?
O8 Cl1 O7 93.6(6) . . ?
O9 Cl1 O7 98.8(6) . . ?
O6 Cl1 O8 125.1(4) . . ?
O6 Cl1 O9 119.6(4) . . ?
O6 Cl1 O7 84.9(8) . . ?
O5 N4 C22 118.1(3) . . ?
O4 N4 O5 123.3(3) . . ?
O4 N4 C22 118.6(3) . . ?
C13 N1 Ru1 123.8(2) . . ?
C1 N1 Ru1 115.9(2) . . ?
C1 N1 C13 120.2(3) . . ?
O1 C25 Ru1 175.3(3) . . ?
C19 N2 Ru1 124.9(2) . . ?
C11 N2 Ru1 113.7(2) . . ?
C11 N2 C19 121.3(3) . . ?
C37 C32 P1 117.4(2) . . ?
C33 C32 P1 124.4(2) . . ?
C33 C32 C37 118.2(3) . . ?
C23 C22 N4 118.1(3) . . ?
C21 C22 N4 119.0(3) . . ?
C21 C22 C23 122.8(3) . . ?
C37 C36 H36 119.9 . . ?
C35 C36 H36 119.9 . . ?
C35 C36 C37 120.3(3) . . ?
C19 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C23 C24 C19 120.7(3) . . ?
C24 C19 N2 118.5(3) . . ?
C24 C19 C20 120.5(3) . . ?
C20 C19 N2 120.8(3) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C16 C17 C18 118.8(3) . . ?
C32 C37 H37 119.5 . . ?
C36 C37 C32 121.1(3) . . ?
C36 C37 H37 119.5 . . ?
C45 C44 P2 120.6(3) . . ?
C49 C44 P2 120.4(3) . . ?
C49 C44 C45 118.7(3) . . ?
O3 N3 C16 118.0(3) . . ?
O2 N3 O3 123.4(3) . . ?
O2 N3 C16 118.6(3) . . ?
C61 C56 P2 123.7(3) . . ?
C61 C56 C57 118.7(3) . . ?
C57 C56 P2 117.3(2) . . ?
C38 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C42 C43 C38 120.6(3) . . ?
C31 C26 P1 120.8(3) . . ?
C27 C26 P1 120.6(3) . . ?
C27 C26 C31 118.6(3) . . ?
C18 C13 N1 119.9(3) . . ?
C18 C13 C14 120.3(3) . . ?
C14 C13 N1 119.7(3) . . ?
C17 C18 H18 120.2 . . ?
C13 C18 C17 119.6(3) . . ?
C13 C18 H18 120.2 . . ?
C40 C41 H41 119.8 . . ?
C40 C41 C42 120.3(3) . . ?
C42 C41 H41 119.8 . . ?
C26 C31 H31 119.8 . . ?
C30 C31 C26 120.5(3) . . ?
C30 C31 H31 119.8 . . ?
C51 C50 P2 119.5(2) . . ?
C55 C50 P2 121.6(2) . . ?
C55 C50 C51 118.9(3) . . ?
C50 C51 H51 119.6 . . ?
C52 C51 C50 120.7(3) . . ?
C52 C51 H51 119.6 . . ?
C22 C23 C24 117.8(3) . . ?
C22 C23 H23 121.1 . . ?
C24 C23 H23 121.1 . . ?
C43 C38 P1 117.9(2) . . ?
C39 C38 P1 122.9(2) . . ?
C39 C38 C43 119.2(3) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 C32 120.4(3) . . ?
C34 C33 H33 119.8 . . ?
C33 C34 H34 119.8 . . ?
C35 C34 C33 120.5(3) . . ?
C35 C34 H34 119.8 . . ?
C14 C15 H15 120.9 . . ?
C14 C15 C16 118.2(3) . . ?
C16 C15 H15 120.9 . . ?
C31 C30 H30 119.8 . . ?
C31 C30 C29 120.4(4) . . ?
C29 C30 H30 119.8 . . ?
C52 C53 H53 120.0 . . ?
C54 C53 H53 120.0 . . ?
C54 C53 C52 120.0(3) . . ?
C56 C61 H61 119.7 . . ?
C60 C61 C56 120.6(3) . . ?
C60 C61 H61 119.7 . . ?
C50 C55 H55 119.7 . . ?
C50 C55 C54 120.5(3) . . ?
C54 C55 H55 119.7 . . ?
C36 C35 C34 119.6(3) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C38 C39 H39 119.9 . . ?
C38 C39 C40 120.1(3) . . ?
C40 C39 H39 119.9 . . ?
C51 C52 C53 119.7(3) . . ?
C51 C52 H52 120.1 . . ?
C53 C52 H52 120.1 . . ?
N1 C1 C11 116.5(3) . . ?
N1 C1 C2 135.6(3) . . ?
C2 C1 C11 107.7(3) . . ?
C10 C9 H9 120.8 . . ?
C10 C9 C8 118.5(4) . . ?
C8 C9 H9 120.8 . . ?
C19 C20 H20 120.5 . . ?
C21 C20 C19 119.0(3) . . ?
C21 C20 H20 120.5 . . ?
C22 C21 C20 119.2(3) . . ?
C22 C21 H21 120.4 . . ?
C20 C21 H21 120.4 . . ?
C27 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
C29 C28 C27 120.7(4) . . ?
C10 C12 C6 122.4(3) . . ?
C2 C12 C10 113.9(3) . . ?
C2 C12 C6 123.6(3) . . ?
C41 C40 C39 120.2(3) . . ?
C41 C40 H40 119.9 . . ?
C39 C40 H40 119.9 . . ?
C13 C14 H14 119.8 . . ?
C15 C14 C13 120.3(3) . . ?
C15 C14 H14 119.8 . . ?
C44 C45 H45 119.5 . . ?
C46 C45 C44 121.1(4) . . ?
C46 C45 H45 119.5 . . ?
N2 C11 C1 117.5(3) . . ?
N2 C11 C10 134.9(3) . . ?
C10 C11 C1 107.3(3) . . ?
C9 C10 C12 119.1(3) . . ?
C9 C10 C11 135.3(3) . . ?
C12 C10 C11 105.4(3) . . ?
C43 C42 H42 120.2 . . ?
C41 C42 C43 119.6(3) . . ?
C41 C42 H42 120.2 . . ?
C59 C58 H58 119.9 . . ?
C59 C58 C57 120.2(4) . . ?
C57 C58 H58 119.9 . . ?
C58 C59 H59 120.0 . . ?
C58 C59 C60 120.0(3) . . ?
C60 C59 H59 120.0 . . ?
C17 C16 N3 118.8(3) . . ?
C17 C16 C15 122.5(3) . . ?
C15 C16 N3 118.7(3) . . ?
C56 C57 H57 119.9 . . ?
C58 C57 C56 120.2(3) . . ?
C58 C57 H57 119.9 . . ?
C44 C49 H49 119.9 . . ?
C48 C49 C44 120.2(4) . . ?
C48 C49 H49 119.9 . . ?
C9 C8 H8 118.8 . . ?
C7 C8 C9 122.5(4) . . ?
C7 C8 H8 118.8 . . ?
C8 C7 H7 119.7 . . ?
C8 C7 C6 120.7(4) . . ?
C6 C7 H7 119.7 . . ?
C26 C27 C28 120.2(3) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C46 C47 H47 119.8 . . ?
C48 C47 H47 119.8 . . ?
C48 C47 C46 120.3(4) . . ?
C2 C3 H3 120.7 . . ?
C2 C3 C4 118.6(4) . . ?
C4 C3 H3 120.7 . . ?
C30 C29 H29 120.2 . . ?
C28 C29 C30 119.6(3) . . ?
C28 C29 H29 120.2 . . ?
C12 C2 C1 105.6(3) . . ?
C3 C2 C1 135.4(3) . . ?
C3 C2 C12 118.6(3) . . ?
C61 C60 C59 120.2(4) . . ?
C61 C60 H60 119.9 . . ?
C59 C60 H60 119.9 . . ?
C53 C54 C55 120.1(3) . . ?
C53 C54 H54 119.9 . . ?
C55 C54 H54 119.9 . . ?
C7 C6 C12 116.8(3) . . ?
C5 C6 C12 115.8(3) . . ?
C5 C6 C7 127.5(3) . . ?
C6 C5 H5 119.4 . . ?
C4 C5 C6 121.2(3) . . ?
C4 C5 H5 119.4 . . ?
C3 C4 H4 118.9 . . ?
C5 C4 C3 122.3(4) . . ?
C5 C4 H4 118.9 . . ?
C45 C46 H46 120.4 . . ?
C47 C46 C45 119.2(4) . . ?
C47 C46 H46 120.4 . . ?
C49 C48 H48 119.8 . . ?
C47 C48 C49 120.4(4) . . ?
C47 C48 H48 119.8 . . ?
Cl2 C62 Cl3 114.5(4) . . ?
Cl2 C62 H62A 108.6 . . ?
Cl2 C62 H62B 108.6 . . ?
Cl3 C62 H62A 108.6 . . ?
Cl3 C62 H62B 108.6 . . ?
H62A C62 H62B 107.6 . . ?

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 C44 C45 -59.3(3) . . . . ?
Ru1 P2 C44 C49 114.6(3) . . . . ?
Ru1 P2 C56 C61 95.9(3) . . . . ?
Ru1 P2 C56 C57 -77.2(2) . . . . ?
Ru1 P2 C50 C51 159.9(2) . . . . ?
Ru1 P2 C50 C55 -22.1(3) . . . . ?
Ru1 P1 C32 C37 55.4(3) . . . . ?
Ru1 P1 C32 C33 -125.7(3) . . . . ?
Ru1 P1 C26 C31 74.1(3) . . . . ?
Ru1 P1 C26 C27 -104.1(3) . . . . ?
Ru1 P1 C38 C43 -172.4(2) . . . . ?
Ru1 P1 C38 C39 9.0(3) . . . . ?
Ru1 N1 C13 C18 -128.9(3) . . . . ?
Ru1 N1 C13 C14 48.2(4) . . . . ?
Ru1 N1 C1 C11 7.0(4) . . . . ?
Ru1 N1 C1 C2 -167.1(3) . . . . ?
Ru1 N2 C19 C24 -49.5(4) . . . . ?
Ru1 N2 C19 C20 124.7(3) . . . . ?
Ru1 N2 C11 C1 -3.4(3) . . . . ?
Ru1 N2 C11 C10 169.7(3) . . . . ?
P2 C44 C45 C46 174.9(3) . . . . ?
P2 C44 C49 C48 -174.4(3) . . . . ?
P2 C56 C61 C60 -170.8(3) . . . . ?
P2 C56 C57 C58 171.0(3) . . . . ?
P2 C50 C51 C52 179.3(3) . . . . ?
P2 C50 C55 C54 -178.9(3) . . . . ?
P1 C32 C37 C36 178.7(2) . . . . ?
P1 C32 C33 C34 -179.2(2) . . . . ?
P1 C26 C31 C30 178.3(3) . . . . ?
P1 C26 C27 C28 -180.0(3) . . . . ?
P1 C38 C39 C40 178.8(3) . . . . ?
N4 C22 C23 C24 -175.0(3) . . . . ?
N4 C22 C21 C20 176.1(3) . . . . ?
O5 N4 C22 C23 166.2(3) . . . . ?
O5 N4 C22 C21 -10.4(5) . . . . ?
N1 C13 C18 C17 -179.7(3) . . . . ?
N1 C13 C14 C15 177.7(3) . . . . ?
N1 C1 C11 N2 -2.3(4) . . . . ?
N1 C1 C11 C10 -177.2(3) . . . . ?
N1 C1 C2 C12 174.1(4) . . . . ?
N1 C1 C2 C3 2.1(7) . . . . ?
N2 C19 C20 C21 -174.4(3) . . . . ?
N2 C11 C10 C9 3.6(7) . . . . ?
N2 C11 C10 C12 -170.8(4) . . . . ?
O4 N4 C22 C23 -12.6(5) . . . . ?
O4 N4 C22 C21 170.8(3) . . . . ?
O3 N3 C16 C17 6.2(5) . . . . ?
O3 N3 C16 C15 -174.0(3) . . . . ?
C32 P1 C26 C31 -52.8(3) . . . . ?
C32 P1 C26 C27 129.0(3) . . . . ?
C32 P1 C38 C43 -48.1(3) . . . . ?
C32 P1 C38 C39 133.4(3) . . . . ?
C32 C33 C34 C35 0.6(5) . . . . ?
C24 C19 C20 C21 -0.3(5) . . . . ?
C19 N2 C11 C1 172.5(3) . . . . ?
C19 N2 C11 C10 -14.4(5) . . . . ?
C19 C24 C23 C22 -1.9(5) . . . . ?
C19 C20 C21 C22 -0.2(5) . . . . ?
O2 N3 C16 C17 -173.2(4) . . . . ?
O2 N3 C16 C15 6.6(5) . . . . ?
C37 C32 C33 C34 -0.3(5) . . . . ?
C37 C36 C35 C34 -0.3(5) . . . . ?
C44 P2 C56 C61 -34.1(3) . . . . ?
C44 P2 C56 C57 152.8(2) . . . . ?
C44 P2 C50 C51 -70.7(3) . . . . ?
C44 P2 C50 C55 107.3(3) . . . . ?
C44 C45 C46 C47 -1.4(6) . . . . ?
C44 C49 C48 C47 0.4(6) . . . . ?
C56 P2 C44 C45 67.4(3) . . . . ?
C56 P2 C44 C49 -118.7(3) . . . . ?
C56 P2 C50 C51 38.2(3) . . . . ?
C56 P2 C50 C55 -143.8(3) . . . . ?
C56 C61 C60 C59 -0.3(6) . . . . ?
C43 C38 C39 C40 0.3(5) . . . . ?
C26 P1 C32 C37 -177.4(2) . . . . ?
C26 P1 C32 C33 1.5(3) . . . . ?
C26 P1 C38 C43 60.8(3) . . . . ?
C26 P1 C38 C39 -117.7(3) . . . . ?
C26 C31 C30 C29 2.7(5) . . . . ?
C13 N1 C1 C11 -175.0(3) . . . . ?
C13 N1 C1 C2 10.9(5) . . . . ?
C18 C17 C16 N3 176.7(3) . . . . ?
C18 C17 C16 C15 -3.0(5) . . . . ?
C18 C13 C14 C15 -5.2(5) . . . . ?
C31 C26 C27 C28 1.8(5) . . . . ?
C31 C30 C29 C28 -0.1(5) . . . . ?
C50 P2 C44 C45 173.6(3) . . . . ?
C50 P2 C44 C49 -12.5(3) . . . . ?
C50 P2 C56 C61 -141.0(3) . . . . ?
C50 P2 C56 C57 45.9(3) . . . . ?
C50 C51 C52 C53 -0.6(5) . . . . ?
C50 C55 C54 C53 -0.2(5) . . . . ?
C51 C50 C55 C54 -0.9(5) . . . . ?
C23 C22 C21 C20 -0.4(5) . . . . ?
C23 C24 C19 N2 175.6(3) . . . . ?
C23 C24 C19 C20 1.4(5) . . . . ?
C38 P1 C32 C37 -70.9(3) . . . . ?
C38 P1 C32 C33 108.0(3) . . . . ?
C38 P1 C26 C31 -157.6(3) . . . . ?
C38 P1 C26 C27 24.2(3) . . . . ?
C38 C43 C42 C41 -0.3(5) . . . . ?
C38 C39 C40 C41 -0.8(5) . . . . ?
C33 C32 C37 C36 -0.3(5) . . . . ?
C33 C34 C35 C36 -0.3(5) . . . . ?
C61 C56 C57 C58 -2.5(5) . . . . ?
C55 C50 C51 C52 1.3(5) . . . . ?
C35 C36 C37 C32 0.5(5) . . . . ?
C52 C53 C54 C55 0.9(5) . . . . ?
C1 N1 C13 C18 53.3(4) . . . . ?
C1 N1 C13 C14 -129.6(3) . . . . ?
C1 C11 C10 C9 177.2(4) . . . . ?
C1 C11 C10 C12 2.7(4) . . . . ?
C9 C8 C7 C6 -0.3(7) . . . . ?
C21 C22 C23 C24 1.4(5) . . . . ?
C12 C6 C5 C4 1.2(6) . . . . ?
C40 C41 C42 C43 -0.3(5) . . . . ?
C14 C13 C18 C17 3.2(5) . . . . ?
C14 C15 C16 C17 1.1(5) . . . . ?
C14 C15 C16 N3 -178.6(3) . . . . ?
C45 C44 C49 C48 -0.4(5) . . . . ?
C11 N2 C19 C24 135.1(3) . . . . ?
C11 N2 C19 C20 -50.7(4) . . . . ?
C11 C1 C2 C12 -0.3(4) . . . . ?
C11 C1 C2 C3 -172.3(4) . . . . ?
C10 C9 C8 C7 0.7(7) . . . . ?
C10 C12 C2 C1 2.2(4) . . . . ?
C10 C12 C2 C3 175.8(3) . . . . ?
C10 C12 C6 C7 2.4(6) . . . . ?
C10 C12 C6 C5 -176.5(4) . . . . ?
C42 C43 C38 P1 -178.3(3) . . . . ?
C42 C43 C38 C39 0.3(5) . . . . ?
C42 C41 C40 C39 0.9(5) . . . . ?
C58 C59 C60 C61 -1.3(6) . . . . ?
C59 C58 C57 C56 0.9(5) . . . . ?
C16 C17 C18 C13 0.8(5) . . . . ?
C16 C15 C14 C13 3.0(5) . . . . ?
C57 C56 C61 C60 2.2(5) . . . . ?
C57 C58 C59 C60 1.0(5) . . . . ?
C49 C44 C45 C46 0.9(5) . . . . ?
C8 C9 C10 C12 0.5(6) . . . . ?
C8 C9 C10 C11 -173.4(4) . . . . ?
C8 C7 C6 C12 -1.2(6) . . . . ?
C8 C7 C6 C5 177.6(4) . . . . ?
C7 C6 C5 C4 -177.6(4) . . . . ?
C27 C26 C31 C30 -3.5(5) . . . . ?
C27 C28 C29 C30 -1.6(6) . . . . ?
C29 C28 C27 C26 0.7(5) . . . . ?
C2 C1 C11 N2 173.3(3) . . . . ?
C2 C1 C11 C10 -1.5(4) . . . . ?
C2 C12 C10 C9 -178.7(3) . . . . ?
C2 C12 C10 C11 -3.1(4) . . . . ?
C2 C12 C6 C7 178.7(4) . . . . ?
C2 C12 C6 C5 -0.3(6) . . . . ?
C2 C3 C4 C5 0.1(7) . . . . ?
C54 C53 C52 C51 -0.5(5) . . . . ?
C6 C12 C10 C9 -2.1(6) . . . . ?
C6 C12 C10 C11 173.4(3) . . . . ?
C6 C12 C2 C1 -174.3(3) . . . . ?
C6 C12 C2 C3 -0.7(6) . . . . ?
C6 C5 C4 C3 -1.1(7) . . . . ?
C4 C3 C2 C1 172.0(4) . . . . ?
C4 C3 C2 C12 0.8(6) . . . . ?
C46 C47 C48 C49 -0.9(7) . . . . ?
C48 C47 C46 C45 1.4(6) . . . . ?

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