# Electronic Supplementary Material (ESI) for Dalton Transactions.
# 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).
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1518135'
_audit_update_record             
;
2016-11-21 deposited with the CCDC.
2017-05-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H60 F6 Mn N14 O2 P Ru'
_chemical_formula_weight         1238.14

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   Pc

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

_cell_length_a                   12.665(3)
_cell_length_b                   10.888(3)
_cell_length_c                   20.745(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 93.368(4)
_cell_angle_gamma                90.00
_cell_volume                     2855.8(12)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    8702
_cell_measurement_theta_min      2.4682
_cell_measurement_theta_max      27.5010

_exptl_crystal_description       Prism
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.403
_exptl_crystal_size_mid          0.141
_exptl_crystal_size_min          0.111
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.440
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1272
_exptl_absorpt_coefficient_mu    0.587
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.8166
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'RIGAKU/MSC(2004), CrystalClear Version 1.3.6'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Saturn724+
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            17767
_diffrn_reflns_av_R_equivalents  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0390
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         2.11
_diffrn_reflns_theta_max         25.00
_reflns_number_total             8696
_reflns_number_gt                8316
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0571P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.069(16)
_refine_ls_number_reflns         8696
_refine_ls_number_parameters     712
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0340
_refine_ls_wR_factor_ref         0.0860
_refine_ls_wR_factor_gt          0.0849
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.761087(18) 0.46273(2) 0.836718(14) 0.02993(8) Uani 1 1 d . . .
Mn1 Mn 0.77078(4) 0.38632(6) 1.09112(3) 0.03204(14) Uani 1 1 d . . .
P1 P 1.2548(2) 0.1441(9) 1.05335(17) 0.278(4) Uani 1 1 d . . .
F1 F 1.1395(5) 0.1731(15) 1.0380(5) 0.337(9) Uani 1 1 d . . .
F2 F 1.2655(6) 0.0732(11) 0.9892(4) 0.258(5) Uani 1 1 d . . .
F3 F 1.2473(5) 0.2429(9) 1.1123(3) 0.208(4) Uani 1 1 d . . .
F4 F 1.3699(5) 0.1094(17) 1.0691(4) 0.358(8) Uani 1 1 d . . .
F5 F 1.2900(11) 0.2616(13) 1.0161(6) 0.310(6) Uani 1 1 d . . .
F6 F 1.2251(11) 0.0281(12) 1.0937(7) 0.315(8) Uani 1 1 d . . .
N1 N 0.7793(3) 0.3795(3) 0.98415(15) 0.0404(7) Uani 1 1 d . . .
N2 N 0.7675(3) 0.4261(3) 1.19611(16) 0.0431(8) Uani 1 1 d . . .
N3 N 0.6009(3) 0.5179(3) 0.84457(16) 0.0351(7) Uani 1 1 d . . .
N4 N 0.2790(4) 0.6096(5) 0.8563(3) 0.0789(14) Uani 1 1 d . . .
N5 N 0.8214(3) 0.6358(3) 0.86719(15) 0.0346(7) Uani 1 1 d . . .
N6 N 0.9421(4) 0.9794(4) 0.9248(2) 0.0571(11) Uani 1 1 d . . .
N7 N 0.9166(3) 0.4008(3) 0.82581(15) 0.0374(7) Uani 1 1 d . . .
N8 N 1.2250(4) 0.2747(5) 0.7977(3) 0.0765(14) Uani 1 1 d . . .
N9 N 0.7060(3) 0.2892(3) 0.80527(15) 0.0355(7) Uani 1 1 d . . .
N10 N 0.6016(4) -0.0591(4) 0.7421(2) 0.0576(11) Uani 1 1 d . . .
N11 N 0.7833(3) 0.5694(3) 1.08267(15) 0.0345(8) Uani 1 1 d . . .
N12 N 0.9265(3) 0.3984(3) 1.10049(16) 0.0381(8) Uani 1 1 d . . .
N13 N 0.6344(8) -0.0354(7) 1.0200(5) 0.132(4) Uani 1 1 d . . .
N14 N 0.2691(17) 0.9290(15) 0.8099(8) 0.235(8) Uani 1 1 d . . .
C1 C 0.7714(3) 0.4071(3) 0.93037(16) 0.0337(8) Uani 1 1 d . . .
C2 C 0.7601(3) 0.5290(3) 0.74612(17) 0.0326(8) Uani 1 1 d . . .
C3 C 0.5520(3) 0.5209(4) 0.9004(2) 0.0465(10) Uani 1 1 d . . .
H3A H 0.5918 0.5001 0.9379 0.056 Uiso 1 1 calc R . .
C4 C 0.4320(3) 0.5771(4) 0.7930(2) 0.0501(10) Uani 1 1 d . . .
H4A H 0.3935 0.5954 0.7547 0.060 Uiso 1 1 calc R . .
C5 C 0.4480(4) 0.5521(4) 0.9065(2) 0.0570(12) Uani 1 1 d . . .
H5A H 0.4211 0.5544 0.9472 0.068 Uiso 1 1 calc R . .
C6 C 0.3825(4) 0.5803(4) 0.8523(2) 0.0541(11) Uani 1 1 d . . .
C7 C 0.5370(3) 0.5472(3) 0.7922(2) 0.0412(9) Uani 1 1 d . . .
H7A H 0.5669 0.5470 0.7523 0.049 Uiso 1 1 calc R . .
C8 C 0.2327(5) 0.6248(8) 0.9174(3) 0.102(2) Uani 1 1 d . . .
H8A H 0.2404 0.5501 0.9418 0.153 Uiso 1 1 calc R . .
H8B H 0.1589 0.6439 0.9103 0.153 Uiso 1 1 calc R . .
H8C H 0.2678 0.6905 0.9409 0.153 Uiso 1 1 calc R . .
C9 C 0.2132(5) 0.6320(8) 0.7981(4) 0.094(2) Uani 1 1 d . . .
H9A H 0.2461 0.6926 0.7723 0.140 Uiso 1 1 calc R . .
H9B H 0.1452 0.6612 0.8093 0.140 Uiso 1 1 calc R . .
H9C H 0.2047 0.5571 0.7739 0.140 Uiso 1 1 calc R . .
C10 C 0.7793(3) 0.7030(3) 0.91339(18) 0.0392(8) Uani 1 1 d . . .
H10A H 0.7221 0.6703 0.9337 0.047 Uiso 1 1 calc R . .
C11 C 0.9449(4) 0.8003(4) 0.8561(2) 0.0475(10) Uani 1 1 d . . .
H11A H 1.0025 0.8304 0.8352 0.057 Uiso 1 1 calc R . .
C12 C 0.8152(4) 0.8168(4) 0.9326(2) 0.0459(9) Uani 1 1 d . . .
H12A H 0.7810 0.8596 0.9641 0.055 Uiso 1 1 calc R . .
C13 C 0.9025(3) 0.8686(4) 0.9052(2) 0.0416(10) Uani 1 1 d . . .
C14 C 0.9016(3) 0.6881(4) 0.8386(2) 0.0404(9) Uani 1 1 d . . .
H14A H 0.9302 0.6462 0.8047 0.048 Uiso 1 1 calc R . .
C15 C 0.9012(4) 1.0477(4) 0.9783(3) 0.0617(13) Uani 1 1 d . . .
H15A H 0.8278 1.0660 0.9688 0.093 Uiso 1 1 calc R . .
H15B H 0.9401 1.1229 0.9844 0.093 Uiso 1 1 calc R . .
H15C H 0.9087 0.9992 1.0169 0.093 Uiso 1 1 calc R . .
C16 C 1.0344(6) 1.0302(5) 0.8951(3) 0.090(2) Uani 1 1 d . . .
H16A H 1.0902 0.9703 0.8967 0.135 Uiso 1 1 calc R . .
H16B H 1.0580 1.1025 0.9182 0.135 Uiso 1 1 calc R . .
H16C H 1.0157 1.0511 0.8509 0.135 Uiso 1 1 calc R . .
C17 C 1.0922(3) 0.3518(4) 0.8673(2) 0.0523(10) Uani 1 1 d . . .
H17A H 1.1393 0.3487 0.9034 0.063 Uiso 1 1 calc R . .
C18 C 0.9917(3) 0.3925(4) 0.8739(2) 0.0444(9) Uani 1 1 d . . .
H18A H 0.9738 0.4165 0.9149 0.053 Uiso 1 1 calc R . .
C19 C 0.9479(3) 0.3635(4) 0.76786(19) 0.0428(9) Uani 1 1 d . . .
H19A H 0.8983 0.3661 0.7330 0.051 Uiso 1 1 calc R . .
C20 C 1.0469(4) 0.3222(4) 0.7566(2) 0.0512(10) Uani 1 1 d . . .
H20A H 1.0622 0.2991 0.7150 0.061 Uiso 1 1 calc R . .
C21 C 1.1262(4) 0.3142(4) 0.8068(2) 0.0524(11) Uani 1 1 d . . .
C22 C 1.2573(5) 0.2449(7) 0.7342(4) 0.098(2) Uani 1 1 d . . .
H22A H 1.2113 0.1828 0.7154 0.147 Uiso 1 1 calc R . .
H22B H 1.3287 0.2148 0.7373 0.147 Uiso 1 1 calc R . .
H22C H 1.2535 0.3171 0.7076 0.147 Uiso 1 1 calc R . .
C23 C 1.3030(5) 0.2618(7) 0.8520(4) 0.087(2) Uani 1 1 d . . .
H23A H 1.3108 0.3388 0.8743 0.130 Uiso 1 1 calc R . .
H23B H 1.3698 0.2379 0.8363 0.130 Uiso 1 1 calc R . .
H23C H 1.2797 0.2003 0.8811 0.130 Uiso 1 1 calc R . .
C24 C 0.6335(4) 0.2732(4) 0.7560(2) 0.0473(10) Uani 1 1 d . . .
H24A H 0.6071 0.3430 0.7348 0.057 Uiso 1 1 calc R . .
C25 C 0.5959(4) 0.1626(4) 0.7347(2) 0.0501(10) Uani 1 1 d . . .
H25A H 0.5448 0.1596 0.7007 0.060 Uiso 1 1 calc R . .
C26 C 0.6335(4) 0.0519(4) 0.7634(2) 0.0432(9) Uani 1 1 d . . .
C27 C 0.7075(4) 0.0699(4) 0.8145(2) 0.0496(10) Uani 1 1 d . . .
H27A H 0.7351 0.0018 0.8366 0.060 Uiso 1 1 calc R . .
C28 C 0.7410(4) 0.1838(3) 0.8334(2) 0.0427(10) Uani 1 1 d . . .
H28A H 0.7913 0.1893 0.8678 0.051 Uiso 1 1 calc R . .
C29 C 0.6548(5) -0.1684(4) 0.7671(3) 0.0750(17) Uani 1 1 d . . .
H29A H 0.7298 -0.1589 0.7646 0.113 Uiso 1 1 calc R . .
H29B H 0.6313 -0.2382 0.7419 0.113 Uiso 1 1 calc R . .
H29C H 0.6385 -0.1805 0.8112 0.113 Uiso 1 1 calc R . .
C30 C 0.5220(5) -0.0733(5) 0.6897(3) 0.0812(17) Uani 1 1 d . . .
H30A H 0.4561 -0.0400 0.7023 0.122 Uiso 1 1 calc R . .
H30B H 0.5132 -0.1589 0.6797 0.122 Uiso 1 1 calc R . .
H30C H 0.5439 -0.0303 0.6523 0.122 Uiso 1 1 calc R . .
C31 C 1.0713(4) 0.5438(4) 1.0766(3) 0.0540(14) Uani 1 1 d . . .
H31A H 1.1214 0.4814 1.0764 0.065 Uiso 1 1 calc R . .
C32 C 0.9669(4) 0.5160(4) 1.0856(2) 0.0398(10) Uani 1 1 d . . .
C33 C 0.8915(3) 0.6091(4) 1.07995(19) 0.0384(9) Uani 1 1 d . . .
C34 C 0.9229(4) 0.7315(4) 1.0728(2) 0.0492(10) Uani 1 1 d . . .
H34A H 0.8729 0.7941 1.0721 0.059 Uiso 1 1 calc R . .
C35 C 1.0280(4) 0.7587(5) 1.0669(2) 0.0605(12) Uani 1 1 d . . .
H35A H 1.0494 0.8397 1.0620 0.073 Uiso 1 1 calc R . .
C36 C 1.1016(4) 0.6647(5) 1.0681(3) 0.0651(14) Uani 1 1 d . . .
H36A H 1.1724 0.6829 1.0631 0.078 Uiso 1 1 calc R . .
C37 C 0.7040(4) 0.6425(4) 1.07787(19) 0.0409(9) Uani 1 1 d . . .
H37A H 0.7187 0.7251 1.0715 0.049 Uiso 1 1 calc R . .
C38 C 0.5944(3) 0.6099(5) 1.0813(2) 0.0416(10) Uani 1 1 d . . .
C39 C 0.5206(4) 0.7050(4) 1.0808(3) 0.0558(11) Uani 1 1 d . . .
H39A H 0.5428 0.7855 1.0751 0.067 Uiso 1 1 calc R . .
C40 C 0.4159(4) 0.6813(5) 1.0886(3) 0.0690(14) Uani 1 1 d . . .
H40A H 0.3670 0.7452 1.0881 0.083 Uiso 1 1 calc R . .
C41 C 0.3841(4) 0.5633(6) 1.0971(3) 0.0766(16) Uani 1 1 d . . .
H41A H 0.3135 0.5477 1.1043 0.092 Uiso 1 1 calc R . .
C42 C 0.4524(4) 0.4681(5) 1.0952(3) 0.0587(15) Uani 1 1 d . . .
H42A H 0.4274 0.3884 1.0991 0.070 Uiso 1 1 calc R . .
C43 C 0.5607(4) 0.4875(5) 1.0873(2) 0.0420(11) Uani 1 1 d . . .
C44 C 0.9869(3) 0.3145(4) 1.1288(2) 0.0458(9) Uani 1 1 d . . .
H44A H 1.0581 0.3334 1.1363 0.055 Uiso 1 1 calc R . .
C45 C 0.9532(4) 0.1976(4) 1.1491(2) 0.0485(10) Uani 1 1 d . . .
C46 C 1.0287(4) 0.1227(5) 1.1831(3) 0.0637(13) Uani 1 1 d . . .
H46A H 1.0973 0.1516 1.1914 0.076 Uiso 1 1 calc R . .
C47 C 1.0023(5) 0.0087(5) 1.2040(3) 0.0725(16) Uani 1 1 d . . .
H47A H 1.0518 -0.0394 1.2272 0.087 Uiso 1 1 calc R . .
C48 C 0.9013(6) -0.0344(4) 1.1902(3) 0.0701(18) Uani 1 1 d . . .
H48A H 0.8838 -0.1123 1.2046 0.084 Uiso 1 1 calc R . .
C49 C 0.8245(5) 0.0335(4) 1.1558(2) 0.0582(13) Uani 1 1 d . . .
H49A H 0.7575 0.0009 1.1466 0.070 Uiso 1 1 calc R . .
C50 C 0.8496(4) 0.1530(4) 1.1350(2) 0.0467(10) Uani 1 1 d . . .
C51 C 0.6016(7) 0.0578(9) 1.0034(5) 0.107(3) Uani 1 1 d . . .
C52 C 0.5622(6) 0.1790(6) 0.9790(4) 0.101(2) Uani 1 1 d . . .
H52A H 0.5768 0.1874 0.9343 0.151 Uiso 1 1 calc R . .
H52B H 0.5972 0.2435 1.0035 0.151 Uiso 1 1 calc R . .
H52C H 0.4873 0.1843 0.9834 0.151 Uiso 1 1 calc R . .
C53 C 0.3415(16) 0.9255(13) 0.8432(10) 0.176(7) Uani 1 1 d . . .
C54 C 0.4269(13) 0.9145(12) 0.8919(9) 0.210(7) Uani 1 1 d . . .
H54A H 0.4617 0.8369 0.8873 0.316 Uiso 1 1 calc R . .
H54B H 0.3993 0.9194 0.9339 0.316 Uiso 1 1 calc R . .
H54C H 0.4767 0.9799 0.8869 0.316 Uiso 1 1 calc R . .
O1 O 0.6228(2) 0.3913(3) 1.08496(15) 0.0458(7) Uani 1 1 d . . .
O2 O 0.7751(2) 0.2153(2) 1.10315(14) 0.0439(6) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C2 2.013(3) . ?
Ru1 C1 2.032(3) . ?
Ru1 N7 2.107(3) . ?
Ru1 N9 2.104(3) . ?
Ru1 N5 2.116(3) . ?
Ru1 N3 2.131(3) . ?
Mn1 O2 1.880(3) . ?
Mn1 O1 1.872(3) . ?
Mn1 N12 1.974(4) . ?
Mn1 N11 2.008(4) . ?
Mn1 N2 2.223(3) . ?
Mn1 N1 2.229(3) . ?
P1 F1 1.509(9) . ?
P1 F4 1.524(9) . ?
P1 F2 1.552(8) . ?
P1 F5 1.572(17) . ?
P1 F6 1.574(15) . ?
P1 F3 1.635(10) . ?
N1 C1 1.154(5) . ?
N2 C2 1.156(5) 2_565 ?
N3 C3 1.345(5) . ?
N3 C7 1.354(5) . ?
N4 C6 1.356(6) . ?
N4 C8 1.437(8) . ?
N4 C9 1.448(9) . ?
N5 C14 1.334(5) . ?
N5 C10 1.341(5) . ?
N6 C13 1.360(6) . ?
N6 C15 1.456(6) . ?
N6 C16 1.461(7) . ?
N7 C18 1.340(5) . ?
N7 C19 1.350(5) . ?
N8 C21 1.348(6) . ?
N8 C22 1.438(8) . ?
N8 C23 1.462(8) . ?
N9 C28 1.351(5) . ?
N9 C24 1.345(5) . ?
N10 C26 1.342(5) . ?
N10 C29 1.448(7) . ?
N10 C30 1.447(7) . ?
N11 C37 1.280(5) . ?
N11 C33 1.442(5) . ?
N12 C44 1.308(5) . ?
N12 C32 1.420(6) . ?
N13 C51 1.142(12) . ?
N14 C53 1.12(2) . ?
C2 N2 1.156(5) 2_564 ?
C3 C5 1.373(6) . ?
C3 H3A 0.9300 . ?
C4 C7 1.370(6) . ?
C4 C6 1.413(6) . ?
C4 H4A 0.9300 . ?
C5 C6 1.392(7) . ?
C5 H5A 0.9300 . ?
C7 H7A 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C12 1.371(5) . ?
C10 H10A 0.9300 . ?
C11 C14 1.379(6) . ?
C11 C13 1.393(6) . ?
C11 H11A 0.9300 . ?
C12 C13 1.392(6) . ?
C12 H12A 0.9300 . ?
C14 H14A 0.9300 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.362(6) . ?
C17 C21 1.412(6) . ?
C17 H17A 0.9300 . ?
C18 H18A 0.9300 . ?
C19 C20 1.365(6) . ?
C19 H19A 0.9300 . ?
C20 C21 1.406(7) . ?
C20 H20A 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C25 1.359(6) . ?
C24 H24A 0.9300 . ?
C25 C26 1.415(6) . ?
C25 H25A 0.9300 . ?
C26 C27 1.387(6) . ?
C27 C28 1.360(6) . ?
C27 H27A 0.9300 . ?
C28 H28A 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C36 1.385(7) . ?
C31 C32 1.380(7) . ?
C31 H31A 0.9300 . ?
C32 C33 1.392(7) . ?
C33 C34 1.402(6) . ?
C34 C35 1.376(6) . ?
C34 H34A 0.9300 . ?
C35 C36 1.384(7) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
C37 C38 1.439(6) . ?
C37 H37A 0.9300 . ?
C38 C39 1.394(6) . ?
C38 C43 1.406(8) . ?
C39 C40 1.371(7) . ?
C39 H39A 0.9300 . ?
C40 C41 1.361(8) . ?
C40 H40A 0.9300 . ?
C41 C42 1.353(8) . ?
C41 H41A 0.9300 . ?
C42 C43 1.406(8) . ?
C42 H42A 0.9300 . ?
C43 O1 1.313(6) . ?
C44 C45 1.414(6) . ?
C44 H44A 0.9300 . ?
C45 C50 1.414(7) . ?
C45 C46 1.413(6) . ?
C46 C47 1.363(8) . ?
C46 H46A 0.9300 . ?
C47 C48 1.376(9) . ?
C47 H47A 0.9300 . ?
C48 C49 1.385(9) . ?
C48 H48A 0.9300 . ?
C49 C50 1.413(6) . ?
C49 H49A 0.9300 . ?
C50 O2 1.308(5) . ?
C51 C52 1.490(13) . ?
C52 H52A 0.9600 . ?
C52 H52B 0.9600 . ?
C52 H52C 0.9600 . ?
C53 C54 1.440(19) . ?
C54 H54A 0.9600 . ?
C54 H54B 0.9600 . ?
C54 H54C 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
C2 Ru1 C1 175.06(15) . . ?
C2 Ru1 N7 88.21(14) . . ?
C1 Ru1 N7 89.95(14) . . ?
C2 Ru1 N9 92.79(13) . . ?
C1 Ru1 N9 91.74(13) . . ?
N7 Ru1 N9 88.54(12) . . ?
C2 Ru1 N5 86.67(13) . . ?
C1 Ru1 N5 88.73(13) . . ?
N7 Ru1 N5 89.64(12) . . ?
N9 Ru1 N5 178.11(13) . . ?
C2 Ru1 N3 90.97(14) . . ?
C1 Ru1 N3 91.09(14) . . ?
N7 Ru1 N3 177.05(12) . . ?
N9 Ru1 N3 88.67(12) . . ?
N5 Ru1 N3 93.15(12) . . ?
O2 Mn1 O1 93.38(14) . . ?
O2 Mn1 N12 91.81(14) . . ?
O1 Mn1 N12 174.27(16) . . ?
O2 Mn1 N11 173.43(14) . . ?
O1 Mn1 N11 92.82(14) . . ?
N12 Mn1 N11 81.91(15) . . ?
O2 Mn1 N2 93.74(12) . . ?
O1 Mn1 N2 89.15(14) . . ?
N12 Mn1 N2 88.08(13) . . ?
N11 Mn1 N2 84.15(13) . . ?
O2 Mn1 N1 95.54(12) . . ?
O1 Mn1 N1 92.29(13) . . ?
N12 Mn1 N1 89.64(13) . . ?
N11 Mn1 N1 86.41(12) . . ?
N2 Mn1 N1 170.51(13) . . ?
F1 P1 F4 177.7(12) . . ?
F1 P1 F2 93.2(4) . . ?
F4 P1 F2 86.0(6) . . ?
F1 P1 F5 91.4(10) . . ?
F4 P1 F5 90.7(7) . . ?
F2 P1 F5 86.6(6) . . ?
F1 P1 F6 91.3(7) . . ?
F4 P1 F6 86.7(9) . . ?
F2 P1 F6 95.3(9) . . ?
F5 P1 F6 176.6(8) . . ?
F1 P1 F3 85.6(5) . . ?
F4 P1 F3 95.7(6) . . ?
F2 P1 F3 168.7(9) . . ?
F5 P1 F3 82.1(7) . . ?
F6 P1 F3 96.0(6) . . ?
C1 N1 Mn1 161.3(3) . . ?
C2 N2 Mn1 165.7(3) 2_565 . ?
C3 N3 C7 113.6(4) . . ?
C3 N3 Ru1 124.1(3) . . ?
C7 N3 Ru1 122.1(3) . . ?
C6 N4 C8 121.8(5) . . ?
C6 N4 C9 119.9(5) . . ?
C8 N4 C9 118.2(5) . . ?
C14 N5 C10 115.4(3) . . ?
C14 N5 Ru1 121.3(3) . . ?
C10 N5 Ru1 123.2(3) . . ?
C13 N6 C15 122.6(4) . . ?
C13 N6 C16 120.0(4) . . ?
C15 N6 C16 117.2(4) . . ?
C18 N7 C19 114.2(4) . . ?
C18 N7 Ru1 124.6(3) . . ?
C19 N7 Ru1 121.1(3) . . ?
C21 N8 C22 121.1(5) . . ?
C21 N8 C23 120.9(5) . . ?
C22 N8 C23 118.0(5) . . ?
C28 N9 C24 114.2(3) . . ?
C28 N9 Ru1 122.3(3) . . ?
C24 N9 Ru1 123.5(2) . . ?
C26 N10 C29 119.9(5) . . ?
C26 N10 C30 121.8(4) . . ?
C29 N10 C30 118.0(4) . . ?
C37 N11 C33 123.7(4) . . ?
C37 N11 Mn1 123.9(3) . . ?
C33 N11 Mn1 112.4(3) . . ?
C44 N12 C32 121.3(4) . . ?
C44 N12 Mn1 123.5(3) . . ?
C32 N12 Mn1 114.1(3) . . ?
N1 C1 Ru1 177.4(3) . . ?
N2 C2 Ru1 173.6(4) 2_564 . ?
N3 C3 C5 125.3(4) . . ?
N3 C3 H3A 117.4 . . ?
C5 C3 H3A 117.4 . . ?
C7 C4 C6 119.8(4) . . ?
C7 C4 H4A 120.1 . . ?
C6 C4 H4A 120.1 . . ?
C6 C5 C3 120.7(4) . . ?
C6 C5 H5A 119.7 . . ?
C3 C5 H5A 119.7 . . ?
N4 C6 C5 122.3(5) . . ?
N4 C6 C4 122.7(5) . . ?
C5 C6 C4 115.0(4) . . ?
N3 C7 C4 125.5(4) . . ?
N3 C7 H7A 117.2 . . ?
C4 C7 H7A 117.2 . . ?
N4 C8 H8A 109.5 . . ?
N4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N4 C9 H9A 109.5 . . ?
N4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N5 C10 C12 124.2(4) . . ?
N5 C10 H10A 117.9 . . ?
C12 C10 H10A 117.9 . . ?
C14 C11 C13 120.0(4) . . ?
C14 C11 H11A 120.0 . . ?
C13 C11 H11A 120.0 . . ?
C10 C12 C13 120.3(4) . . ?
C10 C12 H12A 119.8 . . ?
C13 C12 H12A 119.8 . . ?
N6 C13 C11 122.7(4) . . ?
N6 C13 C12 121.7(4) . . ?
C11 C13 C12 115.6(4) . . ?
N5 C14 C11 124.3(4) . . ?
N5 C14 H14A 117.9 . . ?
C11 C14 H14A 117.9 . . ?
N6 C15 H15A 109.5 . . ?
N6 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N6 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N6 C16 H16A 109.5 . . ?
N6 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N6 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C21 121.3(4) . . ?
C18 C17 H17A 119.3 . . ?
C21 C17 H17A 119.3 . . ?
N7 C18 C17 124.9(4) . . ?
N7 C18 H18A 117.5 . . ?
C17 C18 H18A 117.5 . . ?
N7 C19 C20 124.9(4) . . ?
N7 C19 H19A 117.6 . . ?
C20 C19 H19A 117.6 . . ?
C19 C20 C21 121.1(4) . . ?
C19 C20 H20A 119.5 . . ?
C21 C20 H20A 119.5 . . ?
N8 C21 C20 123.0(5) . . ?
N8 C21 C17 123.5(5) . . ?
C20 C21 C17 113.5(4) . . ?
N8 C22 H22A 109.5 . . ?
N8 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N8 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N8 C23 H23A 109.5 . . ?
N8 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N8 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N9 C24 C25 124.9(4) . . ?
N9 C24 H24A 117.5 . . ?
C25 C24 H24A 117.5 . . ?
C24 C25 C26 121.0(4) . . ?
C24 C25 H25A 119.5 . . ?
C26 C25 H25A 119.5 . . ?
N10 C26 C27 123.8(4) . . ?
N10 C26 C25 122.8(5) . . ?
C27 C26 C25 113.4(4) . . ?
C28 C27 C26 122.3(4) . . ?
C28 C27 H27A 118.9 . . ?
C26 C27 H27A 118.9 . . ?
N9 C28 C27 124.1(4) . . ?
N9 C28 H28A 117.9 . . ?
C27 C28 H28A 117.9 . . ?
N10 C29 H29A 109.5 . . ?
N10 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N10 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N10 C30 H30A 109.5 . . ?
N10 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N10 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C36 C31 C32 120.0(5) . . ?
C36 C31 H31A 120.0 . . ?
C32 C31 H31A 120.0 . . ?
C31 C32 C33 119.1(4) . . ?
C31 C32 N12 126.0(4) . . ?
C33 C32 N12 114.9(4) . . ?
C32 C33 C34 120.3(4) . . ?
C32 C33 N11 115.3(4) . . ?
C34 C33 N11 124.4(4) . . ?
C35 C34 C33 119.7(4) . . ?
C35 C34 H34A 120.2 . . ?
C33 C34 H34A 120.2 . . ?
C34 C35 C36 119.6(4) . . ?
C34 C35 H35A 120.2 . . ?
C36 C35 H35A 120.2 . . ?
C31 C36 C35 120.9(4) . . ?
C31 C36 H36A 119.6 . . ?
C35 C36 H36A 119.6 . . ?
N11 C37 C38 126.7(4) . . ?
N11 C37 H37A 116.7 . . ?
C38 C37 H37A 116.7 . . ?
C39 C38 C43 119.9(4) . . ?
C39 C38 C37 117.6(4) . . ?
C43 C38 C37 122.4(4) . . ?
C40 C39 C38 120.8(5) . . ?
C40 C39 H39A 119.6 . . ?
C38 C39 H39A 119.6 . . ?
C41 C40 C39 119.3(5) . . ?
C41 C40 H40A 120.4 . . ?
C39 C40 H40A 120.4 . . ?
C40 C41 C42 121.6(5) . . ?
C40 C41 H41A 119.2 . . ?
C42 C41 H41A 119.2 . . ?
C41 C42 C43 121.2(5) . . ?
C41 C42 H42A 119.4 . . ?
C43 C42 H42A 119.4 . . ?
O1 C43 C42 118.3(5) . . ?
O1 C43 C38 124.6(4) . . ?
C42 C43 C38 117.1(5) . . ?
N12 C44 C45 125.7(4) . . ?
N12 C44 H44A 117.1 . . ?
C45 C44 H44A 117.1 . . ?
C50 C45 C46 119.9(4) . . ?
C50 C45 C44 122.6(4) . . ?
C46 C45 C44 117.5(5) . . ?
C47 C46 C45 120.8(5) . . ?
C47 C46 H46A 119.6 . . ?
C45 C46 H46A 119.6 . . ?
C46 C47 C48 119.1(5) . . ?
C46 C47 H47A 120.4 . . ?
C48 C47 H47A 120.4 . . ?
C47 C48 C49 122.7(5) . . ?
C47 C48 H48A 118.6 . . ?
C49 C48 H48A 118.6 . . ?
C48 C49 C50 119.1(6) . . ?
C48 C49 H49A 120.5 . . ?
C50 C49 H49A 120.5 . . ?
O2 C50 C49 117.6(5) . . ?
O2 C50 C45 124.0(4) . . ?
C49 C50 C45 118.3(4) . . ?
N13 C51 C52 177.1(9) . . ?
C51 C52 H52A 109.5 . . ?
C51 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C51 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N14 C53 C54 173(2) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C43 O1 Mn1 128.3(3) . . ?
C50 O2 Mn1 126.5(3) . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         0.572
_refine_diff_density_min         -0.441
_refine_diff_density_rms         0.059
####################################################################### 
# 
# 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_a
_database_code_depnum_ccdc_archive 'CCDC 1518136'
_audit_update_record             
;
2016-11-21 deposited with the CCDC.
2017-05-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H54 F12 Mn N12 O2 P2 Ru'
_chemical_formula_weight         1301.00

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.699(9)
_cell_length_b                   16.007(13)
_cell_length_c                   16.625(15)
_cell_angle_alpha                83.10(3)
_cell_angle_beta                 87.08(5)
_cell_angle_gamma                77.54(4)
_cell_volume                     2759(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    6432
_cell_measurement_theta_min      2.3348
_cell_measurement_theta_max      27.4855

_exptl_crystal_description       Prism
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.264
_exptl_crystal_size_mid          0.186
_exptl_crystal_size_min          0.101
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1322
_exptl_absorpt_coefficient_mu    0.653
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.6268
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_process_details   'RIGAKU/MSC(2004), CrystalClear Version 1.3.6'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Saturn724+
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            22485
_diffrn_reflns_av_R_equivalents  0.1297
_diffrn_reflns_av_sigmaI/netI    0.1913
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.54
_diffrn_reflns_theta_max         25.00
_reflns_number_total             9505
_reflns_number_gt                4918
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0800P)²+97.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9505
_refine_ls_number_parameters     724
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.2206
_refine_ls_R_factor_gt           0.1422
_refine_ls_wR_factor_ref         0.3627
_refine_ls_wR_factor_gt          0.3163
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_restrained_S_all      1.004
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.0000 0.0000 1.5000 0.0278(5) Uani 1 2 d S . .
Ru2 Ru 0.0000 -0.5000 2.0000 0.0319(5) Uani 1 2 d S . .
Mn1 Mn -0.0030(2) -0.20593(16) 1.78759(14) 0.0301(6) Uani 1 1 d . . .
P1 P 0.4567(5) -0.1510(3) 2.1320(3) 0.0431(11) Uani 1 1 d . . .
P2 P 0.5731(5) -0.3437(3) 1.5485(3) 0.0435(11) Uani 1 1 d . . .
N7 N -0.1837(12) -0.4982(8) 1.9655(7) 0.027(3) Uani 1 1 d . . .
N3 N 0.1814(11) 0.0065(8) 1.5378(7) 0.025(3) Uani 1 1 d . . .
F3 F 0.5868(10) -0.1845(8) 2.0816(7) 0.062(3) Uani 1 1 d . . .
C3 C 0.2344(16) 0.0734(10) 1.5128(9) 0.034(4) Uani 1 1 d . . .
H3A H 0.1904 0.1155 1.4748 0.041 Uiso 1 1 calc R . .
F4 F 0.5301(11) -0.0918(7) 2.1755(8) 0.069(3) Uani 1 1 d . . .
N8 N -0.5455(12) -0.5019(9) 1.8743(8) 0.036(3) Uani 1 1 d . . .
C17 C -0.2229(17) -0.5761(12) 1.9641(10) 0.040(4) Uani 1 1 d U . .
H17A H -0.1681 -0.6277 1.9819 0.048 Uiso 1 1 calc R . .
C5 C 0.4180(13) 0.0253(10) 1.5968(8) 0.024(3) Uani 1 1 d . . .
F8 F 0.6998(9) -0.4159(6) 1.5341(7) 0.055(3) Uani 1 1 d . . .
C4 C 0.3502(14) 0.0855(10) 1.5386(9) 0.030(4) Uani 1 1 d . . .
H4A H 0.3819 0.1335 1.5173 0.036 Uiso 1 1 calc R . .
F12 F 0.4479(12) -0.2730(8) 1.5639(8) 0.078(4) Uani 1 1 d . . .
C18 C -0.3436(16) -0.5770(12) 1.9362(9) 0.037(4) Uani 1 1 d . . .
H18A H -0.3672 -0.6297 1.9371 0.045 Uiso 1 1 calc R . .
N2 N 0.0021(14) -0.3175(10) 1.8933(9) 0.043(4) Uani 1 1 d . . .
C19 C -0.4341(15) -0.4994(11) 1.9059(9) 0.033(4) Uani 1 1 d . . .
F6 F 0.4999(11) -0.2272(7) 2.2037(7) 0.063(3) Uani 1 1 d . . .
F11 F 0.6600(10) -0.2776(6) 1.5646(6) 0.051(3) Uani 1 1 d . . .
N4 N 0.5294(12) 0.0370(9) 1.6249(8) 0.034(3) Uani 1 1 d . . .
N9 N 0.0615(12) -0.5673(9) 1.8998(7) 0.030(3) Uani 1 1 d . . .
C1 C -0.0219(13) -0.0750(9) 1.6081(8) 0.023(3) Uani 1 1 d . . .
F10 F 0.5783(12) -0.3765(7) 1.6444(6) 0.065(3) Uani 1 1 d . . .
N1 N -0.0344(12) -0.1139(8) 1.6700(8) 0.032(3) Uani 1 1 d . . .
F5 F 0.3286(10) -0.1164(8) 2.1824(7) 0.062(3) Uani 1 1 d . . .
N5 N -0.0721(13) 0.1093(8) 1.5601(8) 0.034(3) Uani 1 1 d . . .
C2 C -0.0026(14) -0.3856(10) 1.9291(9) 0.030(3) Uani 1 1 d . . .
F9 F 0.4878(10) -0.4122(7) 1.5342(7) 0.062(3) Uani 1 1 d . . .
C6 C 0.3661(16) -0.0462(11) 1.6240(10) 0.041(4) Uani 1 1 d . . .
H6A H 0.4092 -0.0889 1.6618 0.049 Uiso 1 1 calc R . .
C20 C -0.3921(16) -0.4206(11) 1.9109(11) 0.042(4) Uani 1 1 d . . .
H20A H -0.4456 -0.3678 1.8948 0.050 Uiso 1 1 calc R . .
O2 O 0.1121(10) -0.1456(7) 1.8225(7) 0.036(3) Uani 1 1 d . . .
F2 F 0.3833(12) -0.2104(8) 2.0879(7) 0.064(3) Uani 1 1 d . . .
O1 O 0.1260(10) -0.2805(7) 1.7331(6) 0.033(3) Uani 1 1 d . . .
F1 F 0.4146(11) -0.0751(7) 2.0605(7) 0.063(3) Uani 1 1 d . . .
F7 F 0.5722(12) -0.3093(8) 1.4528(7) 0.072(3) Uani 1 1 d . . .
N12 N -0.1485(12) -0.1338(8) 1.8460(7) 0.030(3) Uani 1 1 d . . .
C12 C -0.1796(17) 0.2528(11) 1.6443(11) 0.041(4) Uani 1 1 d . . .
N11 N -0.1414(13) -0.2558(8) 1.7512(6) 0.030(3) Uani 1 1 d . . .
C44 C -0.1462(16) -0.0618(11) 1.8741(8) 0.033(4) Uani 1 1 d . . .
H44A H -0.2223 -0.0304 1.8945 0.040 Uiso 1 1 calc R . .
C9 C 0.5826(18) 0.1122(12) 1.6040(12) 0.050(5) Uani 1 1 d . . .
H9A H 0.5284 0.1521 1.5661 0.075 Uiso 1 1 calc R . .
H9B H 0.6665 0.0958 1.5799 0.075 Uiso 1 1 calc R . .
H9C H 0.5885 0.1389 1.6520 0.075 Uiso 1 1 calc R . .
N6 N -0.2311(15) 0.3231(9) 1.6852(9) 0.046(4) Uani 1 1 d . . .
C49 C 0.1960(16) -0.0294(11) 1.8473(11) 0.041(4) Uani 1 1 d U . .
H49A H 0.2743 -0.0537 1.8241 0.049 Uiso 1 1 calc R . .
C23 C -0.5849(18) -0.5796(13) 1.8614(14) 0.062(6) Uani 1 1 d . . .
H23A H -0.5240 -0.6285 1.8847 0.093 Uiso 1 1 calc R . .
H23B H -0.5894 -0.5823 1.8043 0.093 Uiso 1 1 calc R . .
H23C H -0.6676 -0.5796 1.8866 0.093 Uiso 1 1 calc R . .
C28 C 0.1259(16) -0.6518(11) 1.9051(12) 0.042(4) Uani 1 1 d . . .
H28A H 0.1468 -0.6791 1.9568 0.051 Uiso 1 1 calc R . .
C26 C 0.1299(17) -0.6621(10) 1.7623(10) 0.037(4) Uani 1 1 d . . .
C27 C 0.1624(16) -0.6998(11) 1.8418(10) 0.038(4) Uani 1 1 d . . .
H27A H 0.2079 -0.7563 1.8510 0.045 Uiso 1 1 calc R . .
C7 C 0.2498(16) -0.0537(10) 1.5946(9) 0.033(4) Uani 1 1 d . . .
H7A H 0.2167 -0.1016 1.6142 0.040 Uiso 1 1 calc R . .
C37 C -0.1323(16) -0.3053(13) 1.6927(10) 0.045(5) Uani 1 1 d . . .
H37A H -0.2068 -0.3165 1.6738 0.054 Uiso 1 1 calc R . .
C39 C -0.3817(15) -0.2463(12) 1.7745(10) 0.041(4) Uani 1 1 d . . .
H39A H -0.3851 -0.2817 1.7345 0.050 Uiso 1 1 calc R . .
C11 C -0.1057(18) 0.1767(11) 1.6830(9) 0.043(4) Uani 1 1 d . . .
H11A H -0.0894 0.1724 1.7379 0.051 Uiso 1 1 calc R . .
C14 C -0.1396(16) 0.1821(9) 1.5229(9) 0.033(4) Uani 1 1 d . . .
H14A H -0.1479 0.1851 1.4672 0.039 Uiso 1 1 calc R . .
C45 C -0.0326(17) -0.0280(12) 1.8755(8) 0.037(4) Uani 1 1 d . . .
C46 C -0.0463(16) 0.0529(11) 1.9058(9) 0.038(4) Uani 1 1 d . . .
H46A H -0.1274 0.0799 1.9231 0.046 Uiso 1 1 calc R . .
N10 N 0.1535(15) -0.7073(9) 1.6975(9) 0.046(4) Uani 1 1 d . . .
C48 C 0.1781(17) 0.0504(13) 1.8828(11) 0.049(5) Uani 1 1 d . . .
H48A H 0.2484 0.0748 1.8877 0.059 Uiso 1 1 calc R . .
C8 C 0.6015(16) -0.0303(12) 1.6829(10) 0.046(5) Uani 1 1 d . . .
H8A H 0.5579 -0.0771 1.6930 0.070 Uiso 1 1 calc R . .
H8B H 0.6080 -0.0070 1.7327 0.070 Uiso 1 1 calc R . .
H8C H 0.6857 -0.0507 1.6608 0.070 Uiso 1 1 calc R . .
C13 C -0.1997(18) 0.2552(12) 1.5611(11) 0.048(5) Uani 1 1 d . . .
H13A H -0.2504 0.3029 1.5323 0.058 Uiso 1 1 calc R . .
C22 C -0.6323(16) -0.4165(13) 1.8419(11) 0.053(5) Uani 1 1 d . . .
H22A H -0.5961 -0.3696 1.8535 0.079 Uiso 1 1 calc R . .
H22B H -0.7156 -0.4120 1.8675 0.079 Uiso 1 1 calc R . .
H22C H -0.6396 -0.4146 1.7843 0.079 Uiso 1 1 calc R . .
C15 C -0.2140(19) 0.3193(12) 1.7734(12) 0.055(5) Uani 1 1 d . . .
H15A H -0.1491 0.2698 1.7909 0.083 Uiso 1 1 calc R . .
H15B H -0.2933 0.3150 1.8017 0.083 Uiso 1 1 calc R . .
H15C H -0.1887 0.3705 1.7849 0.083 Uiso 1 1 calc R . .
C50 C 0.0899(16) -0.0694(12) 1.8490(10) 0.040(4) Uani 1 1 d . . .
C40 C -0.4916(17) -0.2162(11) 1.8225(10) 0.040(4) Uani 1 1 d . . .
H40A H -0.5688 -0.2311 1.8141 0.048 Uiso 1 1 calc R . .
C38 C -0.2677(16) -0.2213(12) 1.7888(10) 0.041(4) Uani 1 1 d . . .
C31 C 0.1111(14) -0.3330(11) 1.6775(9) 0.035(4) Uani 1 1 d . . .
C30 C 0.1140(18) -0.6658(11) 1.6136(10) 0.044(4) Uani 1 1 d . . .
H30A H 0.0672 -0.6079 1.6166 0.066 Uiso 1 1 calc R . .
H30B H 0.0607 -0.6981 1.5914 0.066 Uiso 1 1 calc R . .
H30C H 0.1889 -0.6652 1.5794 0.066 Uiso 1 1 calc R . .
C47 C 0.0535(18) 0.0934(12) 1.9111(10) 0.044(4) Uani 1 1 d . . .
H47A H 0.0414 0.1460 1.9318 0.052 Uiso 1 1 calc R . .
C43 C -0.2643(15) -0.1647(11) 1.8442(9) 0.033(4) Uani 1 1 d . . .
C32 C 0.2191(17) -0.3787(11) 1.6416(9) 0.041(4) Uani 1 1 d . . .
H32A H 0.2992 -0.3728 1.6564 0.049 Uiso 1 1 calc R . .
C10 C -0.0576(16) 0.1086(11) 1.6394(10) 0.037(4) Uani 1 1 d . . .
H10A H -0.0117 0.0584 1.6672 0.044 Uiso 1 1 calc R . .
C35 C -0.0167(17) -0.3959(10) 1.5926(10) 0.040(4) Uani 1 1 d . . .
H35A H -0.0958 -0.4000 1.5745 0.048 Uiso 1 1 calc R . .
C16 C -0.319(2) 0.3980(13) 1.6452(13) 0.072(7) Uani 1 1 d . . .
H16A H -0.3201 0.3930 1.5883 0.108 Uiso 1 1 calc R . .
H16B H -0.2920 0.4496 1.6531 0.108 Uiso 1 1 calc R . .
H16C H -0.4042 0.4003 1.6682 0.108 Uiso 1 1 calc R . .
C34 C 0.0951(14) -0.4405(12) 1.5583(10) 0.039(4) Uani 1 1 d . . .
H34A H 0.0918 -0.4754 1.5180 0.046 Uiso 1 1 calc R . .
C29 C 0.227(2) -0.7946(12) 1.7050(11) 0.057(6) Uani 1 1 d . . .
H29A H 0.2472 -0.8129 1.7608 0.086 Uiso 1 1 calc R . .
H29B H 0.3041 -0.7974 1.6728 0.086 Uiso 1 1 calc R . .
H29C H 0.1770 -0.8315 1.6865 0.086 Uiso 1 1 calc R . .
C25 C 0.0658(18) -0.5719(13) 1.7541(10) 0.046(5) Uani 1 1 d . . .
H25A H 0.0458 -0.5425 1.7031 0.056 Uiso 1 1 calc R . .
C42 C -0.3744(17) -0.1350(11) 1.8936(9) 0.040(4) Uani 1 1 d . . .
H42A H -0.3720 -0.0974 1.9318 0.048 Uiso 1 1 calc R . .
C33 C 0.2119(17) -0.4323(13) 1.5852(10) 0.048(5) Uani 1 1 d . . .
H33A H 0.2870 -0.4640 1.5642 0.057 Uiso 1 1 calc R . .
C21 C -0.2738(16) -0.4236(12) 1.9393(11) 0.044(4) Uani 1 1 d . . .
H21A H -0.2507 -0.3711 1.9415 0.053 Uiso 1 1 calc R . .
C24 C 0.0349(16) -0.5302(12) 1.8224(9) 0.037(4) Uani 1 1 d . . .
H24A H -0.0070 -0.4726 1.8154 0.044 Uiso 1 1 calc R . .
C36 C -0.0100(18) -0.3433(13) 1.6563(11) 0.050(5) Uani 1 1 d . . .
C41 C -0.4835(15) -0.1636(11) 1.8830(11) 0.041(4) Uani 1 1 d . . .
H41A H -0.5545 -0.1477 1.9168 0.050 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C1 2.070(13) . ?
Ru1 C1 2.070(13) 2_558 ?
Ru1 N3 2.098(12) 2_558 ?
Ru1 N3 2.098(12) . ?
Ru1 N5 2.101(12) 2_558 ?
Ru1 N5 2.101(12) . ?
Ru2 C2 2.051(16) 2_549 ?
Ru2 C2 2.051(16) . ?
Ru2 N7 2.068(12) . ?
Ru2 N7 2.068(12) 2_549 ?
Ru2 N9 2.093(12) . ?
Ru2 N9 2.093(12) 2_549 ?
Mn1 O2 1.872(11) . ?
Mn1 O1 1.890(10) . ?
Mn1 N11 1.979(13) . ?
Mn1 N12 2.010(13) . ?
Mn1 N1 2.295(13) . ?
Mn1 N2 2.344(16) . ?
P1 F5 1.599(11) . ?
P1 F1 1.601(12) . ?
P1 F4 1.607(11) . ?
P1 F6 1.608(12) . ?
P1 F3 1.611(11) . ?
P1 F2 1.613(12) . ?
P2 F12 1.587(12) . ?
P2 F11 1.604(10) . ?
P2 F8 1.609(11) . ?
P2 F9 1.615(11) . ?
P2 F10 1.616(12) . ?
P2 F7 1.621(12) . ?
N7 C17 1.401(19) . ?
N7 C21 1.40(2) . ?
N3 C3 1.332(19) . ?
N3 C7 1.379(19) . ?
C3 C4 1.39(2) . ?
C3 H3A 0.9300 . ?
N8 C19 1.337(19) . ?
N8 C23 1.44(2) . ?
N8 C22 1.53(2) . ?
C17 C18 1.40(2) . ?
C17 H17A 0.9300 . ?
C5 N4 1.360(18) . ?
C5 C4 1.39(2) . ?
C5 C6 1.40(2) . ?
C4 H4A 0.9300 . ?
C18 C19 1.45(2) . ?
C18 H18A 0.9300 . ?
N2 C2 1.187(19) . ?
C19 C20 1.44(2) . ?
N4 C9 1.44(2) . ?
N4 C8 1.47(2) . ?
N9 C24 1.369(19) . ?
N9 C28 1.37(2) . ?
C1 N1 1.154(17) . ?
N5 C14 1.33(2) . ?
N5 C10 1.33(2) . ?
C6 C7 1.39(2) . ?
C6 H6A 0.9300 . ?
C20 C21 1.36(2) . ?
C20 H20A 0.9300 . ?
O2 C50 1.32(2) . ?
O1 C31 1.357(19) . ?
N12 C44 1.30(2) . ?
N12 C43 1.432(19) . ?
C12 N6 1.38(2) . ?
C12 C11 1.40(2) . ?
C12 C13 1.41(2) . ?
N11 C37 1.31(2) . ?
N11 C38 1.482(19) . ?
C44 C45 1.43(2) . ?
C44 H44A 0.9300 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
N6 C16 1.47(2) . ?
N6 C15 1.48(2) . ?
C49 C50 1.42(2) . ?
C49 C48 1.44(3) . ?
C49 H49A 0.9300 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C28 C27 1.37(2) . ?
C28 H28A 0.9300 . ?
C26 N10 1.35(2) . ?
C26 C27 1.41(2) . ?
C26 C25 1.45(2) . ?
C27 H27A 0.9300 . ?
C7 H7A 0.9300 . ?
C37 C36 1.45(2) . ?
C37 H37A 0.9300 . ?
C39 C38 1.40(2) . ?
C39 C40 1.42(2) . ?
C39 H39A 0.9300 . ?
C11 C10 1.37(2) . ?
C11 H11A 0.9300 . ?
C14 C13 1.41(2) . ?
C14 H14A 0.9300 . ?
C45 C50 1.41(2) . ?
C45 C46 1.42(2) . ?
C46 C47 1.37(2) . ?
C46 H46A 0.9300 . ?
N10 C29 1.44(2) . ?
N10 C30 1.51(2) . ?
C48 C47 1.44(3) . ?
C48 H48A 0.9300 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C13 H13A 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C40 C41 1.40(2) . ?
C40 H40A 0.9300 . ?
C38 C43 1.37(2) . ?
C31 C32 1.38(2) . ?
C31 C36 1.41(2) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C47 H47A 0.9300 . ?
C43 C42 1.43(2) . ?
C32 C33 1.36(2) . ?
C32 H32A 0.9300 . ?
C10 H10A 0.9300 . ?
C35 C34 1.39(2) . ?
C35 C36 1.44(2) . ?
C35 H35A 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C34 C33 1.39(2) . ?
C34 H34A 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C25 C24 1.38(2) . ?
C25 H25A 0.9300 . ?
C42 C41 1.37(2) . ?
C42 H42A 0.9300 . ?
C33 H33A 0.9300 . ?
C21 H21A 0.9300 . ?
C24 H24A 0.9300 . ?
C41 H41A 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Ru1 C1 180.000(3) . 2_558 ?
C1 Ru1 N3 91.9(5) . 2_558 ?
C1 Ru1 N3 88.1(5) 2_558 2_558 ?
C1 Ru1 N3 88.1(5) . . ?
C1 Ru1 N3 91.9(5) 2_558 . ?
N3 Ru1 N3 180.000(2) 2_558 . ?
C1 Ru1 N5 91.8(5) . 2_558 ?
C1 Ru1 N5 88.2(5) 2_558 2_558 ?
N3 Ru1 N5 86.8(5) 2_558 2_558 ?
N3 Ru1 N5 93.2(5) . 2_558 ?
C1 Ru1 N5 88.2(5) . . ?
C1 Ru1 N5 91.8(5) 2_558 . ?
N3 Ru1 N5 93.2(5) 2_558 . ?
N3 Ru1 N5 86.8(5) . . ?
N5 Ru1 N5 180.000(4) 2_558 . ?
C2 Ru2 C2 180.000(4) 2_549 . ?
C2 Ru2 N7 89.9(5) 2_549 . ?
C2 Ru2 N7 90.1(5) . . ?
C2 Ru2 N7 90.1(5) 2_549 2_549 ?
C2 Ru2 N7 89.9(5) . 2_549 ?
N7 Ru2 N7 180.000(3) . 2_549 ?
C2 Ru2 N9 89.8(6) 2_549 . ?
C2 Ru2 N9 90.2(6) . . ?
N7 Ru2 N9 85.9(5) . . ?
N7 Ru2 N9 94.1(5) 2_549 . ?
C2 Ru2 N9 90.2(6) 2_549 2_549 ?
C2 Ru2 N9 89.8(6) . 2_549 ?
N7 Ru2 N9 94.1(5) . 2_549 ?
N7 Ru2 N9 85.9(5) 2_549 2_549 ?
N9 Ru2 N9 180.000(4) . 2_549 ?
O2 Mn1 O1 93.5(5) . . ?
O2 Mn1 N11 172.6(5) . . ?
O1 Mn1 N11 93.0(5) . . ?
O2 Mn1 N12 90.7(5) . . ?
O1 Mn1 N12 175.4(5) . . ?
N11 Mn1 N12 82.9(5) . . ?
O2 Mn1 N1 90.8(5) . . ?
O1 Mn1 N1 89.0(5) . . ?
N11 Mn1 N1 85.8(5) . . ?
N12 Mn1 N1 92.7(5) . . ?
O2 Mn1 N2 102.0(5) . . ?
O1 Mn1 N2 88.3(5) . . ?
N11 Mn1 N2 81.7(5) . . ?
N12 Mn1 N2 89.1(5) . . ?
N1 Mn1 N2 167.1(5) . . ?
F5 P1 F1 90.3(6) . . ?
F5 P1 F4 90.1(7) . . ?
F1 P1 F4 90.9(7) . . ?
F5 P1 F6 90.0(7) . . ?
F1 P1 F6 179.6(7) . . ?
F4 P1 F6 88.8(7) . . ?
F5 P1 F3 178.9(7) . . ?
F1 P1 F3 89.5(6) . . ?
F4 P1 F3 88.9(7) . . ?
F6 P1 F3 90.2(6) . . ?
F5 P1 F2 90.1(7) . . ?
F1 P1 F2 88.9(7) . . ?
F4 P1 F2 179.8(8) . . ?
F6 P1 F2 91.3(6) . . ?
F3 P1 F2 90.9(7) . . ?
F12 P2 F11 89.9(7) . . ?
F12 P2 F8 179.3(8) . . ?
F11 P2 F8 90.2(6) . . ?
F12 P2 F9 91.0(7) . . ?
F11 P2 F9 178.4(7) . . ?
F8 P2 F9 88.8(6) . . ?
F12 P2 F10 90.1(7) . . ?
F11 P2 F10 88.0(6) . . ?
F8 P2 F10 89.2(7) . . ?
F9 P2 F10 90.8(6) . . ?
F12 P2 F7 90.5(7) . . ?
F11 P2 F7 90.0(6) . . ?
F8 P2 F7 90.2(7) . . ?
F9 P2 F7 91.2(7) . . ?
F10 P2 F7 178.0(7) . . ?
C17 N7 C21 115.7(14) . . ?
C17 N7 Ru2 119.5(11) . . ?
C21 N7 Ru2 124.8(10) . . ?
C3 N3 C7 115.1(13) . . ?
C3 N3 Ru1 121.6(10) . . ?
C7 N3 Ru1 123.1(10) . . ?
N3 C3 C4 125.4(15) . . ?
N3 C3 H3A 117.3 . . ?
C4 C3 H3A 117.3 . . ?
C19 N8 C23 124.6(15) . . ?
C19 N8 C22 118.1(14) . . ?
C23 N8 C22 117.0(14) . . ?
C18 C17 N7 120.7(17) . . ?
C18 C17 H17A 119.6 . . ?
N7 C17 H17A 119.6 . . ?
N4 C5 C4 120.5(13) . . ?
N4 C5 C6 122.6(14) . . ?
C4 C5 C6 116.9(14) . . ?
C3 C4 C5 119.4(14) . . ?
C3 C4 H4A 120.3 . . ?
C5 C4 H4A 120.3 . . ?
C17 C18 C19 123.1(16) . . ?
C17 C18 H18A 118.4 . . ?
C19 C18 H18A 118.4 . . ?
C2 N2 Mn1 161.3(13) . . ?
N8 C19 C20 123.2(16) . . ?
N8 C19 C18 122.3(15) . . ?
C20 C19 C18 114.5(15) . . ?
C5 N4 C9 125.1(14) . . ?
C5 N4 C8 118.8(13) . . ?
C9 N4 C8 116.1(14) . . ?
C24 N9 C28 114.2(14) . . ?
C24 N9 Ru2 121.5(11) . . ?
C28 N9 Ru2 124.2(11) . . ?
N1 C1 Ru1 177.2(13) . . ?
C1 N1 Mn1 164.9(12) . . ?
C14 N5 C10 115.6(14) . . ?
C14 N5 Ru1 122.6(11) . . ?
C10 N5 Ru1 121.7(11) . . ?
N2 C2 Ru2 174.1(14) . . ?
C7 C6 C5 120.1(15) . . ?
C7 C6 H6A 119.9 . . ?
C5 C6 H6A 119.9 . . ?
C21 C20 C19 119.8(17) . . ?
C21 C20 H20A 120.1 . . ?
C19 C20 H20A 120.1 . . ?
C50 O2 Mn1 129.6(10) . . ?
C31 O1 Mn1 127.9(10) . . ?
C44 N12 C43 122.0(15) . . ?
C44 N12 Mn1 125.8(11) . . ?
C43 N12 Mn1 111.7(10) . . ?
N6 C12 C11 122.3(16) . . ?
N6 C12 C13 120.5(17) . . ?
C11 C12 C13 117.2(16) . . ?
C37 N11 C38 120.5(14) . . ?
C37 N11 Mn1 126.2(11) . . ?
C38 N11 Mn1 112.7(9) . . ?
N12 C44 C45 123.6(16) . . ?
N12 C44 H44A 118.2 . . ?
C45 C44 H44A 118.2 . . ?
N4 C9 H9A 109.5 . . ?
N4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C12 N6 C16 120.9(16) . . ?
C12 N6 C15 120.5(15) . . ?
C16 N6 C15 118.0(15) . . ?
C50 C49 C48 117.6(17) . . ?
C50 C49 H49A 121.2 . . ?
C48 C49 H49A 121.2 . . ?
N8 C23 H23A 109.5 . . ?
N8 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
N8 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C27 C28 N9 126.4(17) . . ?
C27 C28 H28A 116.8 . . ?
N9 C28 H28A 116.8 . . ?
N10 C26 C27 122.5(16) . . ?
N10 C26 C25 121.5(15) . . ?
C27 C26 C25 116.0(15) . . ?
C28 C27 C26 119.1(16) . . ?
C28 C27 H27A 120.5 . . ?
C26 C27 H27A 120.5 . . ?
N3 C7 C6 123.1(14) . . ?
N3 C7 H7A 118.4 . . ?
C6 C7 H7A 118.4 . . ?
N11 C37 C36 122.3(16) . . ?
N11 C37 H37A 118.8 . . ?
C36 C37 H37A 118.8 . . ?
C38 C39 C40 118.2(17) . . ?
C38 C39 H39A 120.9 . . ?
C40 C39 H39A 120.9 . . ?
C10 C11 C12 119.8(16) . . ?
C10 C11 H11A 120.1 . . ?
C12 C11 H11A 120.1 . . ?
N5 C14 C13 125.4(15) . . ?
N5 C14 H14A 117.3 . . ?
C13 C14 H14A 117.3 . . ?
C50 C45 C46 118.6(16) . . ?
C50 C45 C44 124.5(16) . . ?
C46 C45 C44 116.9(16) . . ?
C47 C46 C45 123.7(17) . . ?
C47 C46 H46A 118.2 . . ?
C45 C46 H46A 118.2 . . ?
C26 N10 C29 121.1(14) . . ?
C26 N10 C30 121.2(14) . . ?
C29 N10 C30 117.5(13) . . ?
C49 C48 C47 121.6(16) . . ?
C49 C48 H48A 119.2 . . ?
C47 C48 H48A 119.2 . . ?
N4 C8 H8A 109.5 . . ?
N4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C12 C13 C14 117.1(17) . . ?
C12 C13 H13A 121.4 . . ?
C14 C13 H13A 121.4 . . ?
N8 C22 H22A 109.5 . . ?
N8 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
N8 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N6 C15 H15A 109.5 . . ?
N6 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N6 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O2 C50 C45 122.6(16) . . ?
O2 C50 C49 116.1(16) . . ?
C45 C50 C49 121.2(17) . . ?
C41 C40 C39 119.7(17) . . ?
C41 C40 H40A 120.1 . . ?
C39 C40 H40A 120.1 . . ?
C43 C38 C39 121.1(15) . . ?
C43 C38 N11 114.2(14) . . ?
C39 C38 N11 124.6(15) . . ?
O1 C31 C32 118.4(14) . . ?
O1 C31 C36 122.6(15) . . ?
C32 C31 C36 119.0(17) . . ?
N10 C30 H30A 109.5 . . ?
N10 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
N10 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C46 C47 C48 117.0(17) . . ?
C46 C47 H47A 121.5 . . ?
C48 C47 H47A 121.5 . . ?
C38 C43 C42 120.8(15) . . ?
C38 C43 N12 116.7(15) . . ?
C42 C43 N12 122.4(15) . . ?
C33 C32 C31 121.8(18) . . ?
C33 C32 H32A 119.1 . . ?
C31 C32 H32A 119.1 . . ?
N5 C10 C11 124.8(16) . . ?
N5 C10 H10A 117.6 . . ?
C11 C10 H10A 117.6 . . ?
C34 C35 C36 119.9(16) . . ?
C34 C35 H35A 120.1 . . ?
C36 C35 H35A 120.1 . . ?
N6 C16 H16A 109.5 . . ?
N6 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N6 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C33 C34 C35 119.0(16) . . ?
C33 C34 H34A 120.5 . . ?
C35 C34 H34A 120.5 . . ?
N10 C29 H29A 109.5 . . ?
N10 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
N10 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C24 C25 C26 119.5(17) . . ?
C24 C25 H25A 120.3 . . ?
C26 C25 H25A 120.3 . . ?
C41 C42 C43 117.9(16) . . ?
C41 C42 H42A 121.1 . . ?
C43 C42 H42A 121.1 . . ?
C32 C33 C34 121.5(18) . . ?
C32 C33 H33A 119.2 . . ?
C34 C33 H33A 119.2 . . ?
C20 C21 N7 126.2(17) . . ?
C20 C21 H21A 116.9 . . ?
N7 C21 H21A 116.9 . . ?
N9 C24 C25 124.7(17) . . ?
N9 C24 H24A 117.7 . . ?
C25 C24 H24A 117.7 . . ?
C31 C36 C35 118.5(17) . . ?
C31 C36 C37 126.1(17) . . ?
C35 C36 C37 115.4(16) . . ?
C42 C41 C40 122.0(16) . . ?
C42 C41 H41A 119.0 . . ?
C40 C41 H41A 119.0 . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         2.398
_refine_diff_density_min         -1.232
_refine_diff_density_rms         0.217
