# Electronic Supplementary Material (ESI) for Catalysis Science & Technology.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_PF24M_0m
_database_code_depnum_ccdc_archive 'CCDC 1950947'
loop_
_audit_author_name
_audit_author_address
'Jordi Benet-Buchholz'
;Institute of Chemical Research of Catalonia ICIQ
Spain
;
_audit_update_record             
;
2019-09-02 deposited with the CCDC.	2019-11-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H39 F18 N12 P3 Ru2'
_chemical_formula_weight         1444.98

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.6161(10)
_cell_length_b                   15.1085(13)
_cell_length_c                   16.9110(14)
_cell_angle_alpha                90.103(3)
_cell_angle_beta                 94.853(2)
_cell_angle_gamma                105.573(2)
_cell_volume                     2602.6(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    2499
_cell_measurement_theta_min      2.76
_cell_measurement_theta_max      32.10

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_F_000             1436
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    0.789
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6016
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_process_details   SADABS-2008/1
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_specimen_suppport 
'magnetic support whith 10 micron nylon fiber cryoloop'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_type              'Bruker-Nonius FR 591'
_diffrn_source_power             50
_diffrn_source_current           70
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 512
_diffrn_reflns_number            65576
_diffrn_reflns_av_unetI/netI     0.0587
_diffrn_reflns_av_R_equivalents  0.0504
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.209
_diffrn_reflns_theta_max         33.885
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             20607
_reflns_number_gt                15774
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2 v2014.9-0'
_computing_cell_refinement       'Bruker APEX2 v2014.9-0'
_computing_data_reduction        'Bruker APEX2 v2014.9-0'
_computing_structure_solution    Sir2014
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    
'shelXle (Hübschle, Sheldrick and Dittirch, 2011)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0413P)²+0.8142P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         20607
_refine_ls_number_parameters     893
_refine_ls_number_restraints     843
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0392
_refine_ls_wR_factor_ref         0.0953
_refine_ls_wR_factor_gt          0.0863
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.152
_refine_ls_shift/su_max          0.001
_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_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
C1 C 0.1560(2) 0.58026(14) 0.36823(12) 0.0183(4) Uani 1 1 d . . . . .
H1 H 0.228125 0.633237 0.377907 0.022 Uiso 1 1 calc R U . . .
C2 C 0.0485(2) 0.57028(16) 0.41136(13) 0.0240(5) Uani 1 1 d . . . . .
H2 H 0.046368 0.615563 0.449899 0.029 Uiso 1 1 calc R U . . .
C3 C -0.0559(2) 0.49314(17) 0.39725(14) 0.0261(5) Uani 1 1 d . . . . .
H3 H -0.131243 0.485055 0.425846 0.031 Uiso 1 1 calc R U . . .
C4 C -0.0504(2) 0.42753(16) 0.34134(14) 0.0233(4) Uani 1 1 d . . . . .
H4 H -0.121367 0.373833 0.331737 0.028 Uiso 1 1 calc R U . . .
C5 C 0.0600(2) 0.44116(14) 0.29942(12) 0.0166(4) Uani 1 1 d . . . . .
C6 C 0.0774(2) 0.37737(14) 0.23809(12) 0.0162(4) Uani 1 1 d . . . . .
C7 C -0.0166(2) 0.29673(15) 0.21381(14) 0.0218(4) Uani 1 1 d . . . . .
H7 H -0.097931 0.279817 0.236965 0.026 Uiso 1 1 calc R U . . .
C8 C 0.0091(2) 0.24101(15) 0.15543(14) 0.0248(5) Uani 1 1 d . . . . .
H8 H -0.054893 0.186332 0.137070 0.030 Uiso 1 1 calc R U . . .
C9 C 0.1304(2) 0.26674(14) 0.12431(13) 0.0235(4) Uani 1 1 d . . . . .
H9 H 0.151416 0.229160 0.085119 0.028 Uiso 1 1 calc R U . . .
C10 C 0.2199(2) 0.34760(14) 0.15114(12) 0.0184(4) Uani 1 1 d . . . . .
H10 H 0.302594 0.364673 0.129606 0.022 Uiso 1 1 calc R U . . .
C11 C 0.1106(2) 0.58820(14) 0.13663(13) 0.0188(4) Uani 1 1 d . . . . .
H11 H 0.056479 0.572758 0.179240 0.023 Uiso 1 1 calc R U . . .
C12 C 0.0586(2) 0.61717(16) 0.06684(14) 0.0232(4) Uani 1 1 d . . . . .
H12 H -0.028693 0.622791 0.062298 0.028 Uiso 1 1 calc R U . . .
C13 C 0.1354(2) 0.63789(16) 0.00366(14) 0.0262(5) Uani 1 1 d . . . . .
H13 H 0.101842 0.658231 -0.044772 0.031 Uiso 1 1 calc R U . . .
C14 C 0.2620(2) 0.62847(15) 0.01226(13) 0.0216(4) Uani 1 1 d . . . . .
H14 H 0.315850 0.641254 -0.030660 0.026 Uiso 1 1 calc R U . . .
C15 C 0.3097(2) 0.60015(13) 0.08424(12) 0.0159(4) Uani 1 1 d . . . . .
C16 C 0.4396(2) 0.58393(13) 0.09802(12) 0.0149(3) Uani 1 1 d . . . . .
C17 C 0.5363(2) 0.60843(14) 0.04540(13) 0.0198(4) Uani 1 1 d . . . . .
H17 H 0.522265 0.640952 -0.001091 0.024 Uiso 1 1 calc R U . . .
C18 C 0.6527(2) 0.58506(15) 0.06132(13) 0.0208(4) Uani 1 1 d . . . . .
H18 H 0.720128 0.601981 0.026284 0.025 Uiso 1 1 calc R U . . .
C19 C 0.6702(2) 0.53651(15) 0.12917(13) 0.0195(4) Uani 1 1 d . . . . .
H19 H 0.747935 0.517231 0.139998 0.023 Uiso 1 1 calc R U . . .
C20 C 0.5720(2) 0.51667(13) 0.18087(12) 0.0167(4) Uani 1 1 d . . . . .
H20 H 0.585521 0.485369 0.228177 0.020 Uiso 1 1 calc R U . . .
C21 C 0.3779(2) 0.38960(13) 0.36519(12) 0.0161(4) Uani 1 1 d . . . . .
H21 H 0.297447 0.348693 0.344181 0.019 Uiso 1 1 calc R U . . .
C22 C 0.4551(2) 0.35888(14) 0.42327(13) 0.0192(4) Uani 1 1 d . . . . .
H22 H 0.427039 0.298277 0.442383 0.023 Uiso 1 1 calc R U . . .
C23 C 0.5731(2) 0.41736(14) 0.45292(13) 0.0193(4) Uani 1 1 d . . . . .
H23 H 0.629463 0.396375 0.490558 0.023 Uiso 1 1 calc R U . . .
C24 C 0.6089(2) 0.50746(14) 0.42727(12) 0.0171(4) Uani 1 1 d . . . . .
H24 H 0.688624 0.549269 0.448251 0.021 Uiso 1 1 calc R U . . .
C25 C 0.52568(19) 0.53521(13) 0.37024(11) 0.0136(3) Uani 1 1 d . . . . .
C26 C 0.54568(19) 0.62878(13) 0.34391(11) 0.0139(3) Uani 1 1 d . . . . .
C27 C 0.64905(19) 0.70759(13) 0.35749(12) 0.0151(3) Uani 1 1 d . . . . .
H27 H 0.731299 0.714031 0.387077 0.018 Uiso 1 1 calc R U . . .
C28 C 0.60331(19) 0.77513(13) 0.31731(11) 0.0137(3) Uani 1 1 d . . . . .
C29 C 0.66191(19) 0.87242(13) 0.30701(11) 0.0141(3) Uani 1 1 d . . . . .
C30 C 0.7938(2) 0.91714(14) 0.32492(13) 0.0183(4) Uani 1 1 d . . . . .
H30 H 0.851212 0.885650 0.350930 0.022 Uiso 1 1 calc R U . . .
C31 C 0.8407(2) 1.00769(14) 0.30463(13) 0.0208(4) Uani 1 1 d . . . . .
H31 H 0.930721 1.039184 0.316192 0.025 Uiso 1 1 calc R U . . .
C32 C 0.7541(2) 1.05231(14) 0.26695(13) 0.0203(4) Uani 1 1 d . . . . .
H32 H 0.784856 1.114063 0.250945 0.024 Uiso 1 1 calc R U . . .
C33 C 0.6231(2) 1.00550(13) 0.25318(12) 0.0173(4) Uani 1 1 d . . . . .
H33 H 0.563930 1.036564 0.228537 0.021 Uiso 1 1 calc R U . . .
C34 C 0.4356(2) 0.83238(13) 0.08715(12) 0.0176(4) Uani 1 1 d . . . . .
H34 H 0.485809 0.791016 0.103086 0.021 Uiso 1 1 calc R U . . .
C35 C 0.4274(2) 0.85572(15) 0.00776(13) 0.0239(5) Uani 1 1 d . . . . .
H35 H 0.472028 0.831599 -0.029721 0.029 Uiso 1 1 calc R U . . .
C36 C 0.3523(3) 0.91510(16) -0.01540(13) 0.0265(5) Uani 1 1 d . . . . .
H36 H 0.340908 0.929384 -0.069771 0.032 Uiso 1 1 calc R U . . .
C37 C 0.2941(2) 0.95345(15) 0.04100(13) 0.0231(4) Uani 1 1 d . . . . .
H37 H 0.244184 0.995270 0.026019 0.028 Uiso 1 1 calc R U . . .
C38 C 0.3100(2) 0.92990(13) 0.11952(12) 0.0165(4) Uani 1 1 d . . . . .
C39 C 0.2679(2) 0.97589(13) 0.18577(12) 0.0160(4) Uani 1 1 d . . . . .
C40 C 0.2032(2) 1.04466(14) 0.18045(14) 0.0212(4) Uani 1 1 d . . . . .
H40 H 0.175106 1.064291 0.130268 0.025 Uiso 1 1 calc R U . . .
C41 C 0.1806(2) 1.08389(15) 0.25027(14) 0.0233(5) Uani 1 1 d . . . . .
H41 H 0.139199 1.132405 0.247845 0.028 Uiso 1 1 calc R U . . .
C42 C 0.2179(2) 1.05312(14) 0.32384(14) 0.0216(4) Uani 1 1 d . . . . .
H42 H 0.201223 1.079571 0.371544 0.026 Uiso 1 1 calc R U . . .
C43 C 0.2798(2) 0.98299(13) 0.32604(12) 0.0166(4) Uani 1 1 d . . . . .
C44 C 0.3197(2) 0.93783(13) 0.39751(12) 0.0162(4) Uani 1 1 d . . . . .
C45 C 0.3047(2) 0.96377(16) 0.47409(13) 0.0229(4) Uani 1 1 d . . . . .
H45 H 0.267988 1.013435 0.482835 0.027 Uiso 1 1 calc R U . . .
C46 C 0.3434(2) 0.91683(18) 0.53762(14) 0.0275(5) Uani 1 1 d . . . . .
H46 H 0.333178 0.933672 0.590358 0.033 Uiso 1 1 calc R U . . .
C47 C 0.3975(2) 0.84486(16) 0.52354(13) 0.0230(4) Uani 1 1 d . . . . .
H47 H 0.425511 0.812101 0.566396 0.028 Uiso 1 1 calc R U . . .
C48 C 0.4098(2) 0.82164(14) 0.44574(12) 0.0187(4) Uani 1 1 d . . . . .
H48 H 0.446568 0.772225 0.436197 0.022 Uiso 1 1 d R U . . .
C49 C 0.0797(2) 0.74039(14) 0.25742(12) 0.0188(4) Uani 1 1 d . . . . .
C50 C -0.0621(2) 0.70401(17) 0.25912(15) 0.0252(5) Uani 1 1 d . . . . .
H50A H -0.080875 0.648123 0.290334 0.038 Uiso 1 1 calc R U . . .
H50B H -0.102910 0.689455 0.204806 0.038 Uiso 1 1 calc R U . . .
H50C H -0.097690 0.750031 0.283354 0.038 Uiso 1 1 calc R U . . .
N1 N 0.16261(17) 0.51761(11) 0.31288(10) 0.0144(3) Uani 1 1 d . . . . .
N2 N 0.19536(17) 0.40327(11) 0.20635(10) 0.0143(3) Uani 1 1 d . . . . .
N3 N 0.23475(17) 0.58087(11) 0.14693(10) 0.0140(3) Uani 1 1 d . . . . .
N4 N 0.45871(17) 0.53994(11) 0.16673(10) 0.0137(3) Uani 1 1 d . . . . .
N5 N 0.41330(16) 0.47574(11) 0.33744(10) 0.0130(3) Uani 1 1 d . . . . .
N6 N 0.44444(16) 0.64782(11) 0.29786(10) 0.0129(3) Uani 1 1 d . . . . .
N7 N 0.47941(16) 0.73873(11) 0.28251(10) 0.0138(3) Uani 1 1 d . . . . .
N8 N 0.57607(17) 0.91729(11) 0.27348(10) 0.0140(3) Uani 1 1 d . . . . .
N9 N 0.37548(17) 0.86589(11) 0.14226(10) 0.0148(3) Uani 1 1 d . . . . .
N10 N 0.30539(16) 0.94764(11) 0.25763(10) 0.0141(3) Uani 1 1 d . . . . .
N11 N 0.37191(17) 0.86614(11) 0.38332(10) 0.0146(3) Uani 1 1 d . . . . .
N12 N 0.19063(17) 0.76741(11) 0.25613(10) 0.0157(3) Uani 1 1 d . . . . .
Ru1 Ru 0.31547(2) 0.52839(2) 0.24495(2) 0.01117(4) Uani 1 1 d . . . . .
Ru2 Ru 0.38213(2) 0.84294(2) 0.26275(2) 0.01163(4) Uani 1 1 d . . . . .
F1A F 0.94548(16) 0.88086(11) 0.16102(10) 0.0381(4) Uani 1 1 d . . . . .
F2A F 0.92772(19) 0.90717(12) 0.02846(10) 0.0456(4) Uani 1 1 d . . . . .
F3A F 0.88596(15) 0.76147(10) 0.07244(9) 0.0303(3) Uani 1 1 d . . . . .
F4A F 0.73642(15) 0.78965(11) 0.14951(9) 0.0328(3) Uani 1 1 d . . . . .
F5A F 0.72023(17) 0.81613(12) 0.01770(9) 0.0378(4) Uani 1 1 d . . . . .
F6A F 0.7787(2) 0.93548(12) 0.10698(10) 0.0494(5) Uani 1 1 d . . . . .
P1A P 0.83318(7) 0.84962(4) 0.08967(4) 0.02500(13) Uani 1 1 d . . . . .
F1B F 0.07529(16) 0.22243(11) 0.37248(8) 0.0346(3) Uani 1 1 d D . . . .
F2B F 0.13332(14) 0.32726(10) 0.47503(10) 0.0326(3) Uani 1 1 d D . . . .
F3B F 0.03650(15) 0.21866(11) 0.55919(8) 0.0317(3) Uani 1 1 d D . . . .
F4B F -0.02210(15) 0.11390(10) 0.45731(9) 0.0334(3) Uani 1 1 d D . . . .
F5B F 0.19064(14) 0.19293(10) 0.48361(9) 0.0304(3) Uani 1 1 d D . . . .
F6B F -0.07928(14) 0.24828(10) 0.44787(10) 0.0329(3) Uani 1 1 d D . . . .
P1B P 0.05452(6) 0.21997(4) 0.46562(3) 0.02023(11) Uani 1 1 d D . . . .
F1C F 0.4653(15) 0.6863(10) 0.8641(7) 0.040(3) Uani 0.34 1 d D U P A 1
F4C F 0.5064(10) 0.8403(7) 0.8300(8) 0.037(2) Uani 0.34 1 d D U P A 1
F2C F 0.5628(7) 0.7352(5) 0.7525(6) 0.0507(19) Uani 0.34 1 d D U P A 1
F3C F 0.3535(7) 0.6486(5) 0.7439(4) 0.0434(17) Uani 0.34 1 d D U P A 1
F5C F 0.4072(8) 0.7976(5) 0.7118(5) 0.0443(19) Uani 0.34 1 d D U P A 1
F6C F 0.3049(11) 0.7486(7) 0.8302(8) 0.055(2) Uani 0.34 1 d D U P A 1
P1C P 0.4329(9) 0.7435(6) 0.7889(6) 0.0270(13) Uani 0.34 1 d D U P A 1
F1' F 0.4771(17) 0.7113(10) 0.8736(8) 0.034(3) Uani 0.33 1 d D U P B 2
F2' F 0.5168(8) 0.8263(5) 0.7862(4) 0.0381(16) Uani 0.33 1 d D U P B 2
F3' F 0.4860(7) 0.6776(4) 0.7426(5) 0.0311(14) Uani 0.33 1 d D U P B 2
F4' F 0.2923(7) 0.6380(5) 0.7965(4) 0.0270(14) Uani 0.33 1 d D U P B 2
F5' F 0.3294(10) 0.7517(5) 0.7096(6) 0.0317(17) Uani 0.33 1 d D U P B 2
F6' F 0.3269(14) 0.7842(11) 0.8422(11) 0.029(2) Uani 0.33 1 d D U P B 2
P1' P 0.4076(9) 0.7330(6) 0.7900(6) 0.0219(12) Uani 0.33 1 d D U P B 2
F1" F 0.4717(11) 0.6973(10) 0.8743(6) 0.0146(17) Uani 0.33 1 d D U P C 3
F2" F 0.5260(8) 0.7059(5) 0.7500(6) 0.0316(18) Uani 0.33 1 d D U P C 3
F3" F 0.3137(8) 0.6416(5) 0.7699(4) 0.0316(19) Uani 0.33 1 d D U P C 3
F4" F 0.3092(12) 0.7716(10) 0.8356(11) 0.022(2) Uani 0.33 1 d D U P C 3
F5" F 0.3571(10) 0.7767(6) 0.7150(6) 0.030(2) Uani 0.33 1 d D U P C 3
F6" F 0.5263(10) 0.8328(7) 0.8204(8) 0.0267(19) Uani 0.33 1 d D U P C 3
P1" P 0.4191(10) 0.7380(6) 0.7930(5) 0.0170(12) Uani 0.33 1 d D U P C 3


_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
C1 N1 1.349(3) . ?
C1 C2 1.381(3) . ?
C2 C3 1.380(4) . ?
C3 C4 1.384(3) . ?
C4 C5 1.390(3) . ?
C5 N1 1.362(3) . ?
C5 C6 1.471(3) . ?
C6 N2 1.364(2) . ?
C6 C7 1.387(3) . ?
C7 C8 1.387(3) . ?
C8 C9 1.391(3) . ?
C9 C10 1.379(3) . ?
C10 N2 1.343(2) . ?
C11 N3 1.349(3) . ?
C11 C12 1.382(3) . ?
C12 C13 1.384(3) . ?
C13 C14 1.384(3) . ?
C14 C15 1.391(3) . ?
C15 N3 1.364(2) . ?
C15 C16 1.465(3) . ?
C16 N4 1.367(2) . ?
C16 C17 1.390(3) . ?
C17 C18 1.380(3) . ?
C18 C19 1.389(3) . ?
C19 C20 1.389(3) . ?
C20 N4 1.344(3) . ?
C21 N5 1.351(2) . ?
C21 C22 1.386(3) . ?
C22 C23 1.378(3) . ?
C23 C24 1.392(3) . ?
C24 C25 1.394(3) . ?
C25 N5 1.360(3) . ?
C25 C26 1.449(3) . ?
C26 N6 1.367(3) . ?
C26 C27 1.389(3) . ?
C27 C28 1.397(3) . ?
C28 N7 1.363(3) . ?
C28 C29 1.451(3) . ?
C29 N8 1.363(3) . ?
C29 C30 1.389(3) . ?
C30 C31 1.379(3) . ?
C31 C32 1.392(3) . ?
C32 C33 1.381(3) . ?
C33 N8 1.348(2) . ?
C34 N9 1.343(2) . ?
C34 C35 1.390(3) . ?
C35 C36 1.387(3) . ?
C36 C37 1.384(3) . ?
C37 C38 1.384(3) . ?
C38 N9 1.373(2) . ?
C38 C39 1.478(3) . ?
C39 N10 1.352(3) . ?
C39 C40 1.390(3) . ?
C40 C41 1.387(3) . ?
C41 C42 1.392(3) . ?
C42 C43 1.388(3) . ?
C43 N10 1.351(2) . ?
C43 C44 1.476(3) . ?
C44 N11 1.372(2) . ?
C44 C45 1.387(3) . ?
C45 C46 1.382(3) . ?
C46 C47 1.388(3) . ?
C47 C48 1.387(3) . ?
C48 N11 1.343(3) . ?
C49 N12 1.140(3) . ?
C49 C50 1.460(3) . ?
N1 Ru1 2.0382(15) . ?
N2 Ru1 2.0460(17) . ?
N3 Ru1 2.0591(17) . ?
N4 Ru1 2.0715(15) . ?
N5 Ru1 2.0812(17) . ?
N6 N7 1.355(2) . ?
N6 Ru1 2.0956(17) . ?
N7 Ru2 2.1150(16) . ?
N8 Ru2 2.0562(17) . ?
N9 Ru2 2.0660(17) . ?
N10 Ru2 1.9631(16) . ?
N11 Ru2 2.0850(16) . ?
N12 Ru2 2.0404(18) . ?
F1A P1A 1.5976(18) . ?
F2A P1A 1.5954(17) . ?
F3A P1A 1.6123(14) . ?
F4A P1A 1.6063(15) . ?
F5A P1A 1.6125(18) . ?
F6A P1A 1.5913(16) . ?
F1B P1B 1.6080(15) . ?
F2B P1B 1.6128(15) . ?
F3B P1B 1.6093(15) . ?
F4B P1B 1.5904(15) . ?
F5B P1B 1.6096(15) . ?
F6B P1B 1.5953(15) . ?
F1C P1C 1.604(10) . ?
F4C P1C 1.588(10) . ?
F2C P1C 1.592(9) . ?
F3C P1C 1.608(10) . ?
F5C P1C 1.582(9) . ?
F6C P1C 1.600(10) . ?
F1' P1' 1.614(10) . ?
F2' P1' 1.572(9) . ?
F3' P1' 1.588(10) . ?
F4' P1' 1.628(9) . ?
F5' P1' 1.599(10) . ?
F6' P1' 1.610(11) . ?
F1" P1" 1.624(9) . ?
F2" P1" 1.576(10) . ?
F3" P1" 1.605(11) . ?
F4" P1" 1.612(11) . ?
F5" P1" 1.606(9) . ?
F6" P1" 1.611(11) . ?

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
N1 C1 C2 122.5(2) . . ?
C3 C2 C1 118.6(2) . . ?
C2 C3 C4 119.85(19) . . ?
C3 C4 C5 119.2(2) . . ?
N1 C5 C4 120.98(19) . . ?
N1 C5 C6 114.46(16) . . ?
C4 C5 C6 124.6(2) . . ?
N2 C6 C7 121.70(19) . . ?
N2 C6 C5 114.54(18) . . ?
C7 C6 C5 123.76(18) . . ?
C8 C7 C6 119.4(2) . . ?
C7 C8 C9 118.7(2) . . ?
C10 C9 C8 119.1(2) . . ?
N2 C10 C9 122.9(2) . . ?
N3 C11 C12 122.93(19) . . ?
C11 C12 C13 119.1(2) . . ?
C12 C13 C14 118.9(2) . . ?
C13 C14 C15 119.5(2) . . ?
N3 C15 C14 121.77(19) . . ?
N3 C15 C16 114.57(17) . . ?
C14 C15 C16 123.59(18) . . ?
N4 C16 C17 121.64(19) . . ?
N4 C16 C15 114.61(16) . . ?
C17 C16 C15 123.73(18) . . ?
C18 C17 C16 119.39(19) . . ?
C17 C18 C19 119.22(18) . . ?
C20 C19 C18 118.8(2) . . ?
N4 C20 C19 122.70(19) . . ?
N5 C21 C22 122.2(2) . . ?
C23 C22 C21 119.15(19) . . ?
C22 C23 C24 119.5(2) . . ?
C23 C24 C25 118.8(2) . . ?
N5 C25 C24 121.62(17) . . ?
N5 C25 C26 114.18(17) . . ?
C24 C25 C26 124.12(19) . . ?
N6 C26 C27 110.40(16) . . ?
N6 C26 C25 116.78(18) . . ?
C27 C26 C25 132.80(19) . . ?
C26 C27 C28 103.54(18) . . ?
N7 C28 C27 110.49(17) . . ?
N7 C28 C29 117.07(17) . . ?
C27 C28 C29 132.44(19) . . ?
N8 C29 C30 121.49(18) . . ?
N8 C29 C28 113.63(17) . . ?
C30 C29 C28 124.80(18) . . ?
C31 C30 C29 119.4(2) . . ?
C30 C31 C32 119.1(2) . . ?
C33 C32 C31 119.04(19) . . ?
N8 C33 C32 122.3(2) . . ?
N9 C34 C35 122.72(19) . . ?
C36 C35 C34 118.4(2) . . ?
C37 C36 C35 119.8(2) . . ?
C38 C37 C36 118.9(2) . . ?
N9 C38 C37 121.79(18) . . ?
N9 C38 C39 114.68(17) . . ?
C37 C38 C39 123.37(18) . . ?
N10 C39 C40 120.16(19) . . ?
N10 C39 C38 112.63(17) . . ?
C40 C39 C38 127.12(19) . . ?
C41 C40 C39 118.3(2) . . ?
C40 C41 C42 120.89(19) . . ?
C43 C42 C41 118.6(2) . . ?
N10 C43 C42 119.9(2) . . ?
N10 C43 C44 113.48(16) . . ?
C42 C43 C44 126.60(19) . . ?
N11 C44 C45 121.35(19) . . ?
N11 C44 C43 115.22(17) . . ?
C45 C44 C43 123.42(18) . . ?
C46 C45 C44 119.5(2) . . ?
C45 C46 C47 119.3(2) . . ?
C48 C47 C46 118.7(2) . . ?
N11 C48 C47 122.72(19) . . ?
N12 C49 C50 178.9(2) . . ?
C1 N1 C5 118.91(17) . . ?
C1 N1 Ru1 125.00(15) . . ?
C5 N1 Ru1 116.09(13) . . ?
C10 N2 C6 118.16(18) . . ?
C10 N2 Ru1 126.15(14) . . ?
C6 N2 Ru1 115.62(13) . . ?
C11 N3 C15 117.79(18) . . ?
C11 N3 Ru1 125.56(13) . . ?
C15 N3 Ru1 116.24(13) . . ?
C20 N4 C16 118.17(16) . . ?
C20 N4 Ru1 126.14(13) . . ?
C16 N4 Ru1 115.35(13) . . ?
C21 N5 C25 118.59(17) . . ?
C21 N5 Ru1 126.56(14) . . ?
C25 N5 Ru1 114.82(12) . . ?
N7 N6 C26 107.88(16) . . ?
N7 N6 Ru1 136.82(13) . . ?
C26 N6 Ru1 111.73(12) . . ?
N6 N7 C28 107.66(15) . . ?
N6 N7 Ru2 136.51(13) . . ?
C28 N7 Ru2 110.41(12) . . ?
C33 N8 C29 118.56(18) . . ?
C33 N8 Ru2 125.95(14) . . ?
C29 N8 Ru2 115.45(12) . . ?
C34 N9 C38 118.09(17) . . ?
C34 N9 Ru2 128.10(14) . . ?
C38 N9 Ru2 113.54(13) . . ?
C43 N10 C39 122.06(17) . . ?
C43 N10 Ru2 118.67(13) . . ?
C39 N10 Ru2 118.92(13) . . ?
C48 N11 C44 118.36(17) . . ?
C48 N11 Ru2 128.88(13) . . ?
C44 N11 Ru2 112.75(13) . . ?
C49 N12 Ru2 166.95(17) . . ?
N1 Ru1 N2 79.14(7) . . ?
N1 Ru1 N3 96.59(6) . . ?
N2 Ru1 N3 86.17(7) . . ?
N1 Ru1 N4 174.61(7) . . ?
N2 Ru1 N4 98.65(6) . . ?
N3 Ru1 N4 78.31(6) . . ?
N1 Ru1 N5 89.24(6) . . ?
N2 Ru1 N5 94.80(6) . . ?
N3 Ru1 N5 174.17(6) . . ?
N4 Ru1 N5 95.85(6) . . ?
N1 Ru1 N6 98.83(7) . . ?
N2 Ru1 N6 172.52(6) . . ?
N3 Ru1 N6 101.24(6) . . ?
N4 Ru1 N6 83.99(6) . . ?
N5 Ru1 N6 77.93(6) . . ?
N10 Ru2 N12 83.52(7) . . ?
N10 Ru2 N8 97.37(7) . . ?
N12 Ru2 N8 177.92(7) . . ?
N10 Ru2 N9 79.29(6) . . ?
N12 Ru2 N9 92.88(7) . . ?
N8 Ru2 N9 89.14(7) . . ?
N10 Ru2 N11 79.83(7) . . ?
N12 Ru2 N11 88.60(7) . . ?
N8 Ru2 N11 89.71(6) . . ?
N9 Ru2 N11 158.76(6) . . ?
N10 Ru2 N7 172.25(7) . . ?
N12 Ru2 N7 100.90(6) . . ?
N8 Ru2 N7 78.02(6) . . ?
N9 Ru2 N7 106.65(6) . . ?
N11 Ru2 N7 93.84(6) . . ?
F6A P1A F2A 90.98(10) . . ?
F6A P1A F1A 90.88(10) . . ?
F2A P1A F1A 91.05(10) . . ?
F6A P1A F4A 89.89(9) . . ?
F2A P1A F4A 178.50(10) . . ?
F1A P1A F4A 90.16(9) . . ?
F6A P1A F3A 179.02(11) . . ?
F2A P1A F3A 89.88(9) . . ?
F1A P1A F3A 89.59(9) . . ?
F4A P1A F3A 89.25(8) . . ?
F6A P1A F5A 90.16(10) . . ?
F2A P1A F5A 89.29(10) . . ?
F1A P1A F5A 178.90(9) . . ?
F4A P1A F5A 89.49(9) . . ?
F3A P1A F5A 89.36(9) . . ?
F4B P1B F6B 90.99(9) . . ?
F4B P1B F1B 90.56(9) . . ?
F6B P1B F1B 90.41(9) . . ?
F4B P1B F3B 90.24(9) . . ?
F6B P1B F3B 90.30(8) . . ?
F1B P1B F3B 178.93(10) . . ?
F4B P1B F5B 89.82(8) . . ?
F6B P1B F5B 179.19(9) . . ?
F1B P1B F5B 89.56(8) . . ?
F3B P1B F5B 89.73(8) . . ?
F4B P1B F2B 179.27(10) . . ?
F6B P1B F2B 89.55(8) . . ?
F1B P1B F2B 89.94(9) . . ?
F3B P1B F2B 89.26(9) . . ?
F5B P1B F2B 89.64(8) . . ?
F5C P1C F4C 87.3(7) . . ?
F5C P1C F2C 86.6(7) . . ?
F4C P1C F2C 92.0(6) . . ?
F5C P1C F6C 96.9(8) . . ?
F4C P1C F6C 88.0(7) . . ?
F2C P1C F6C 176.4(9) . . ?
F5C P1C F1C 176.4(9) . . ?
F4C P1C F1C 93.8(8) . . ?
F2C P1C F1C 90.0(8) . . ?
F6C P1C F1C 86.5(8) . . ?
F5C P1C F3C 89.7(6) . . ?
F4C P1C F3C 176.7(9) . . ?
F2C P1C F3C 89.3(6) . . ?
F6C P1C F3C 90.9(6) . . ?
F1C P1C F3C 89.3(7) . . ?
F2' P1' F3' 93.1(6) . . ?
F2' P1' F5' 92.7(6) . . ?
F3' P1' F5' 91.1(7) . . ?
F2' P1' F6' 89.3(8) . . ?
F3' P1' F6' 176.4(10) . . ?
F5' P1' F6' 91.5(9) . . ?
F2' P1' F1' 90.3(7) . . ?
F3' P1' F1' 91.2(8) . . ?
F5' P1' F1' 176.1(9) . . ?
F6' P1' F1' 86.1(9) . . ?
F2' P1' F4' 177.9(8) . . ?
F3' P1' F4' 88.9(6) . . ?
F5' P1' F4' 87.8(6) . . ?
F6' P1' F4' 88.7(7) . . ?
F1' P1' F4' 89.1(8) . . ?
F2" P1" F3" 90.4(6) . . ?
F2" P1" F5" 95.7(7) . . ?
F3" P1" F5" 86.3(6) . . ?
F2" P1" F6" 90.1(7) . . ?
F3" P1" F6" 177.1(8) . . ?
F5" P1" F6" 96.5(8) . . ?
F2" P1" F4" 179.1(9) . . ?
F3" P1" F4" 89.7(7) . . ?
F5" P1" F4" 83.4(8) . . ?
F6" P1" F4" 89.9(7) . . ?
F2" P1" F1" 87.9(6) . . ?
F3" P1" F1" 91.8(7) . . ?
F5" P1" F1" 175.9(9) . . ?
F6" P1" F1" 85.4(8) . . ?
F4" P1" F1" 93.1(8) . . ?

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
N1 C1 C2 C3 0.2(3) . . . . ?
C1 C2 C3 C4 0.6(3) . . . . ?
C2 C3 C4 C5 -0.8(3) . . . . ?
C3 C4 C5 N1 0.3(3) . . . . ?
C3 C4 C5 C6 -179.4(2) . . . . ?
N1 C5 C6 N2 2.2(3) . . . . ?
C4 C5 C6 N2 -178.11(19) . . . . ?
N1 C5 C6 C7 -178.24(19) . . . . ?
C4 C5 C6 C7 1.5(3) . . . . ?
N2 C6 C7 C8 -0.4(3) . . . . ?
C5 C6 C7 C8 -180.0(2) . . . . ?
C6 C7 C8 C9 1.6(3) . . . . ?
C7 C8 C9 C10 -1.4(3) . . . . ?
C8 C9 C10 N2 0.0(3) . . . . ?
N3 C11 C12 C13 1.4(3) . . . . ?
C11 C12 C13 C14 0.3(4) . . . . ?
C12 C13 C14 C15 -1.1(3) . . . . ?
C13 C14 C15 N3 0.3(3) . . . . ?
C13 C14 C15 C16 177.0(2) . . . . ?
N3 C15 C16 N4 8.9(3) . . . . ?
C14 C15 C16 N4 -168.0(2) . . . . ?
N3 C15 C16 C17 -172.76(19) . . . . ?
C14 C15 C16 C17 10.3(3) . . . . ?
N4 C16 C17 C18 2.3(3) . . . . ?
C15 C16 C17 C18 -175.95(19) . . . . ?
C16 C17 C18 C19 0.8(3) . . . . ?
C17 C18 C19 C20 -2.9(3) . . . . ?
C18 C19 C20 N4 2.2(3) . . . . ?
N5 C21 C22 C23 -1.2(3) . . . . ?
C21 C22 C23 C24 3.5(3) . . . . ?
C22 C23 C24 C25 -1.9(3) . . . . ?
C23 C24 C25 N5 -2.2(3) . . . . ?
C23 C24 C25 C26 174.22(18) . . . . ?
N5 C25 C26 N6 7.4(2) . . . . ?
C24 C25 C26 N6 -169.30(17) . . . . ?
N5 C25 C26 C27 -174.50(19) . . . . ?
C24 C25 C26 C27 8.8(3) . . . . ?
N6 C26 C27 C28 0.4(2) . . . . ?
C25 C26 C27 C28 -177.78(19) . . . . ?
C26 C27 C28 N7 0.6(2) . . . . ?
C26 C27 C28 C29 -179.65(19) . . . . ?
N7 C28 C29 N8 9.5(2) . . . . ?
C27 C28 C29 N8 -170.31(19) . . . . ?
N7 C28 C29 C30 -167.29(18) . . . . ?
C27 C28 C29 C30 12.9(3) . . . . ?
N8 C29 C30 C31 -3.5(3) . . . . ?
C28 C29 C30 C31 173.05(19) . . . . ?
C29 C30 C31 C32 0.4(3) . . . . ?
C30 C31 C32 C33 2.0(3) . . . . ?
C31 C32 C33 N8 -1.4(3) . . . . ?
N9 C34 C35 C36 -0.9(4) . . . . ?
C34 C35 C36 C37 3.6(4) . . . . ?
C35 C36 C37 C38 -1.4(4) . . . . ?
C36 C37 C38 N9 -3.6(4) . . . . ?
C36 C37 C38 C39 171.4(2) . . . . ?
N9 C38 C39 N10 1.6(3) . . . . ?
C37 C38 C39 N10 -173.7(2) . . . . ?
N9 C38 C39 C40 178.3(2) . . . . ?
C37 C38 C39 C40 2.9(4) . . . . ?
N10 C39 C40 C41 1.1(3) . . . . ?
C38 C39 C40 C41 -175.3(2) . . . . ?
C39 C40 C41 C42 -2.1(3) . . . . ?
C40 C41 C42 C43 0.8(3) . . . . ?
C41 C42 C43 N10 1.5(3) . . . . ?
C41 C42 C43 C44 -176.3(2) . . . . ?
N10 C43 C44 N11 -2.0(3) . . . . ?
C42 C43 C44 N11 176.0(2) . . . . ?
N10 C43 C44 C45 179.0(2) . . . . ?
C42 C43 C44 C45 -3.0(3) . . . . ?
N11 C44 C45 C46 0.2(3) . . . . ?
C43 C44 C45 C46 179.2(2) . . . . ?
C44 C45 C46 C47 0.4(4) . . . . ?
C45 C46 C47 C48 -0.6(4) . . . . ?
C46 C47 C48 N11 0.2(4) . . . . ?
C2 C1 N1 C5 -0.6(3) . . . . ?
C2 C1 N1 Ru1 178.52(16) . . . . ?
C4 C5 N1 C1 0.4(3) . . . . ?
C6 C5 N1 C1 -179.87(17) . . . . ?
C4 C5 N1 Ru1 -178.85(16) . . . . ?
C6 C5 N1 Ru1 0.9(2) . . . . ?
C9 C10 N2 C6 1.3(3) . . . . ?
C9 C10 N2 Ru1 -175.65(16) . . . . ?
C7 C6 N2 C10 -1.0(3) . . . . ?
C5 C6 N2 C10 178.59(17) . . . . ?
C7 C6 N2 Ru1 176.20(16) . . . . ?
C5 C6 N2 Ru1 -4.2(2) . . . . ?
C12 C11 N3 C15 -2.3(3) . . . . ?
C12 C11 N3 Ru1 -174.64(17) . . . . ?
C14 C15 N3 C11 1.4(3) . . . . ?
C16 C15 N3 C11 -175.58(17) . . . . ?
C14 C15 N3 Ru1 174.47(16) . . . . ?
C16 C15 N3 Ru1 -2.5(2) . . . . ?
C19 C20 N4 C16 0.8(3) . . . . ?
C19 C20 N4 Ru1 -172.11(16) . . . . ?
C17 C16 N4 C20 -3.1(3) . . . . ?
C15 C16 N4 C20 175.32(17) . . . . ?
C17 C16 N4 Ru1 170.59(15) . . . . ?
C15 C16 N4 Ru1 -11.0(2) . . . . ?
C22 C21 N5 C25 -2.9(3) . . . . ?
C22 C21 N5 Ru1 175.01(14) . . . . ?
C24 C25 N5 C21 4.6(3) . . . . ?
C26 C25 N5 C21 -172.19(16) . . . . ?
C24 C25 N5 Ru1 -173.55(14) . . . . ?
C26 C25 N5 Ru1 9.66(19) . . . . ?
C27 C26 N6 N7 -1.2(2) . . . . ?
C25 C26 N6 N7 177.28(15) . . . . ?
C27 C26 N6 Ru1 161.20(12) . . . . ?
C25 C26 N6 Ru1 -20.3(2) . . . . ?
C26 N6 N7 C28 1.55(19) . . . . ?
Ru1 N6 N7 C28 -154.26(14) . . . . ?
C26 N6 N7 Ru2 -148.61(15) . . . . ?
Ru1 N6 N7 Ru2 55.6(3) . . . . ?
C27 C28 N7 N6 -1.3(2) . . . . ?
C29 C28 N7 N6 178.84(15) . . . . ?
C27 C28 N7 Ru2 157.24(12) . . . . ?
C29 C28 N7 Ru2 -22.6(2) . . . . ?
C32 C33 N8 C29 -1.6(3) . . . . ?
C32 C33 N8 Ru2 175.82(15) . . . . ?
C30 C29 N8 C33 4.1(3) . . . . ?
C28 C29 N8 C33 -172.81(17) . . . . ?
C30 C29 N8 Ru2 -173.63(15) . . . . ?
C28 C29 N8 Ru2 9.5(2) . . . . ?
C35 C34 N9 C38 -3.9(3) . . . . ?
C35 C34 N9 Ru2 -177.54(17) . . . . ?
C37 C38 N9 C34 6.3(3) . . . . ?
C39 C38 N9 C34 -169.15(18) . . . . ?
C37 C38 N9 Ru2 -179.22(18) . . . . ?
C39 C38 N9 Ru2 5.4(2) . . . . ?
C42 C43 N10 C39 -2.6(3) . . . . ?
C44 C43 N10 C39 175.48(18) . . . . ?
C42 C43 N10 Ru2 -175.87(16) . . . . ?
C44 C43 N10 Ru2 2.3(2) . . . . ?
C40 C39 N10 C43 1.3(3) . . . . ?
C38 C39 N10 C43 178.21(18) . . . . ?
C40 C39 N10 Ru2 174.53(15) . . . . ?
C38 C39 N10 Ru2 -8.6(2) . . . . ?
C47 C48 N11 C44 0.4(3) . . . . ?
C47 C48 N11 Ru2 179.77(16) . . . . ?
C45 C44 N11 C48 -0.6(3) . . . . ?
C43 C44 N11 C48 -179.71(18) . . . . ?
C45 C44 N11 Ru2 179.90(16) . . . . ?
C43 C44 N11 Ru2 0.8(2) . . . . ?

_refine_diff_density_max         1.748
_refine_diff_density_min         -0.965
_refine_diff_density_rms         0.118

####################################################################### 
# 
# 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_PF24P-b_0m
_database_code_depnum_ccdc_archive 'CCDC 1950948'
loop_
_audit_author_name
_audit_author_address
'Jordi Benet-Buchholz'
;Institute of Chemical Research of Catalonia ICIQ
Spain
;
_audit_update_record             
;
2019-09-02 deposited with the CCDC.	2019-11-05 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_PLAT971_PF24P-b_0m          
;
PROBLEM: Check Calcd Resid. Dens.  0.89A   From Ru2             2.80 eA-3  
RESPONSE: The large positive calculated residual density is in the
 neighborhood of one of the Ruthenium atoms present in the structure,
 so that its presence it was considered due to this metal atom. Changing
 the parameters in the empirical absorption correction did not modify
 the presence of this electron density. Refining any type of disorder
 did not make sense in this position and also twinning (space group P-1)
 was not an option. In general, the measured crystal is of low quality
 and some disorder is present in the ClO4-anions and in the solvent
 molecules. It was considered that the residual density is due to the
 presence of the metal atom and the poor quality of the crystal.
;
# end Validation Reply Form


_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C51 H42 Cl F12 N11 O P2 Ru2'
_chemical_formula_weight         1352.48
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_space_group_IT_number           2
_symmetry_space_group_name_H-M   P-1
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.9180(4)
_cell_length_b                   13.8310(4)
_cell_length_c                   17.5520(6)
_cell_angle_alpha                92.9970(19)
_cell_angle_beta                 100.953(2)
_cell_angle_gamma                105.6680(18)
_cell_volume                     2946.61(16)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9968
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      26.02

_exptl_crystal_description       Needle
_exptl_crystal_colour            brown
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_F_000             1352
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.005
_exptl_absorpt_coefficient_mu    0.696
_shelx_estimated_absorpt_T_min   0.946
_shelx_estimated_absorpt_T_max   0.997
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.814
_exptl_absorpt_correction_T_max  0.997
_exptl_absorpt_process_details   
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_special_details           
; 
 It should be noted that the esd's of the cell dimensions are probably too low;
 they should be multiplied by a factor of 2 to 10
;
_diffrn_ambient_temperature      100(2)
_diffrn_measurement_specimen_suppport 'magnetic support whith MicroMount'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'rotating anode X-ray tube'
_diffrn_source_type              'Bruker-Nonius FR 591'
_diffrn_source_power             50
_diffrn_source_current           70
_diffrn_source_size              '3 mm x 0.3 mm fine focus'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method       
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_detector_area_resol_mean 512
_diffrn_reflns_number            66824
_diffrn_reflns_av_unetI/netI     0.0784
_diffrn_reflns_av_R_equivalents  0.0763
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         1.189
_diffrn_reflns_theta_max         28.558
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             14887
_reflns_number_gt                8920
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2 v2014.9-0'
_computing_cell_refinement       'Bruker APEX2 v2014.9-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    
;
 SHELXle: C.B. Huebschle, G.M. Sheldrick & B. Dittrich
 J.Appl.Cryst. (2011) 44, 1281-1284.
;
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1287P)²+11.5427P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         14887
_refine_ls_number_parameters     861
_refine_ls_number_restraints     417
_refine_ls_R_factor_all          0.1404
_refine_ls_R_factor_gt           0.0771
_refine_ls_wR_factor_ref         0.2549
_refine_ls_wR_factor_gt          0.2103
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_restrained_S_all      1.073
_refine_ls_shift/su_max          0.001
_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_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
C1 C 0.9904(6) 0.2254(5) 0.4722(4) 0.0378(16) Uani 1 1 d . . . . .
H1 H 0.969300 0.282548 0.488402 0.045 Uiso 1 1 calc R U . . .
C2 C 1.0841(6) 0.2089(6) 0.5149(5) 0.0460(19) Uani 1 1 d . . . . .
H2 H 1.124959 0.252766 0.560430 0.055 Uiso 1 1 calc R U . . .
C3 C 1.1180(6) 0.1276(6) 0.4907(5) 0.050(2) Uani 1 1 d . . . . .
H3 H 1.184417 0.116995 0.517676 0.061 Uiso 1 1 calc R U . . .
C4 C 1.0540(6) 0.0629(6) 0.4271(5) 0.0426(18) Uani 1 1 d . . . . .
H4 H 1.074034 0.005377 0.410371 0.051 Uiso 1 1 calc R U . . .
C5 C 0.9592(6) 0.0825(5) 0.3871(4) 0.0350(15) Uani 1 1 d . . . . .
C6 C 0.8826(7) 0.0160(5) 0.3192(4) 0.0395(17) Uani 1 1 d . . . . .
C7 C 0.8792(9) -0.0833(6) 0.3000(5) 0.056(2) Uani 1 1 d . . . . .
H7 H 0.931530 -0.111952 0.328517 0.067 Uiso 1 1 calc R U . . .
C8 C 0.7978(10) -0.1404(7) 0.2380(6) 0.065(3) Uani 1 1 d . . . . .
H8 H 0.793493 -0.208888 0.224090 0.078 Uiso 1 1 calc R U . . .
C9 C 0.7246(8) -0.0974(7) 0.1978(6) 0.058(2) Uani 1 1 d . . . . .
H9 H 0.669380 -0.135235 0.154914 0.070 Uiso 1 1 calc R U . . .
C10 C 0.7307(7) 0.0008(6) 0.2194(4) 0.0434(17) Uani 1 1 d . . . . .
H10 H 0.678163 0.029560 0.191252 0.052 Uiso 1 1 calc R U . . .
C11 C 0.6824(6) 0.0372(6) 0.4269(5) 0.0420(17) Uani 1 1 d . . . . .
H11 H 0.753542 0.043179 0.457230 0.050 Uiso 1 1 calc R U . . .
C12 C 0.5924(8) -0.0331(8) 0.4425(6) 0.072(3) Uani 1 1 d . . . . .
H12 H 0.601874 -0.075875 0.482244 0.087 Uiso 1 1 calc R U . . .
C13 C 0.4887(8) -0.0405(10) 0.3998(7) 0.097(5) Uani 1 1 d . . . . .
H13 H 0.426056 -0.088646 0.409685 0.117 Uiso 1 1 calc R U . . .
C14 C 0.4768(7) 0.0231(9) 0.3421(6) 0.072(3) Uani 1 1 d . . . . .
H14 H 0.405945 0.019969 0.312622 0.086 Uiso 1 1 calc R U . . .
C15 C 0.5694(6) 0.0909(6) 0.3283(5) 0.0465(19) Uani 1 1 d . . . . .
C16 C 0.5676(6) 0.1596(6) 0.2660(5) 0.0429(17) Uani 1 1 d . . . . .
C17 C 0.4727(7) 0.1724(8) 0.2201(7) 0.068(3) Uani 1 1 d . . . . .
H17 H 0.402696 0.141304 0.230824 0.081 Uiso 1 1 calc R U . . .
C18 C 0.4815(8) 0.2316(8) 0.1579(7) 0.076(3) Uani 1 1 d . . . . .
H18 H 0.417522 0.241642 0.126479 0.091 Uiso 1 1 calc R U . . .
C19 C 0.5839(7) 0.2751(7) 0.1426(6) 0.064(3) Uani 1 1 d . . . . .
H19 H 0.591475 0.312968 0.099352 0.077 Uiso 1 1 calc R U . . .
C20 C 0.6749(7) 0.2623(6) 0.1918(5) 0.049(2) Uani 1 1 d . . . . .
H20 H 0.745637 0.294129 0.182552 0.059 Uiso 1 1 calc R U . . .
C21 C 0.7217(6) 0.3247(6) 0.4420(5) 0.0411(17) Uani 1 1 d . . . . .
H21 H 0.665460 0.265088 0.444673 0.049 Uiso 1 1 calc R U . . .
C22 C 0.7253(7) 0.4142(6) 0.4836(5) 0.0457(18) Uani 1 1 d . . . . .
H22 H 0.672691 0.415582 0.514547 0.055 Uiso 1 1 calc R U . . .
C23 C 0.8065(7) 0.5014(6) 0.4794(5) 0.051(2) Uani 1 1 d . . . . .
H23 H 0.809824 0.563533 0.506866 0.062 Uiso 1 1 calc R U . . .
C24 C 0.8825(7) 0.4968(5) 0.4347(5) 0.0466(19) Uani 1 1 d . . . . .
H24 H 0.939437 0.555557 0.431430 0.056 Uiso 1 1 calc R U . . .
C25 C 0.8747(6) 0.4058(5) 0.3949(5) 0.0373(16) Uani 1 1 d . . . . .
C26 C 0.9481(5) 0.3937(5) 0.3443(4) 0.0354(15) Uani 1 1 d . . . . .
C27 C 1.0455(6) 0.4584(5) 0.3332(5) 0.0413(17) Uani 1 1 d . . . . .
H27 H 1.082681 0.524784 0.357883 0.050 Uiso 1 1 calc R U . . .
C28 C 1.0754(6) 0.4035(5) 0.2777(5) 0.0371(16) Uani 1 1 d . . . . .
C29 C 1.1704(6) 0.4270(5) 0.2406(5) 0.0429(18) Uani 1 1 d . . . . .
C30 C 1.2631(7) 0.5095(6) 0.2675(6) 0.054(2) Uani 1 1 d . . . . .
H30 H 1.265833 0.557193 0.309343 0.065 Uiso 1 1 calc R U . . .
C31 C 1.3517(7) 0.5192(7) 0.2307(7) 0.061(3) Uani 1 1 d . . . . .
H31 H 1.415820 0.574752 0.247179 0.074 Uiso 1 1 calc DR U . . .
C32 C 1.3470(7) 0.4505(7) 0.1721(6) 0.054(2) Uani 1 1 d . . . . .
H32 H 1.408553 0.455569 0.148703 0.065 Uiso 1 1 calc R U . . .
C33 C 1.2507(6) 0.3718(6) 0.1460(5) 0.0438(18) Uani 1 1 d . . . . .
H33 H 1.246466 0.324668 0.103342 0.053 Uiso 1 1 calc R U . . .
C34 C 0.9015(7) 0.4214(7) 0.1110(6) 0.056(2) Uani 1 1 d . . . . .
H34 H 0.909500 0.434012 0.165799 0.067 Uiso 1 1 calc R U . . .
C35 C 0.8446(8) 0.4753(8) 0.0611(8) 0.075(3) Uani 1 1 d . . . . .
H35 H 0.812088 0.522280 0.081289 0.090 Uiso 1 1 calc R U . . .
C36 C 0.8376(9) 0.4578(9) -0.0175(7) 0.078(3) Uani 1 1 d . . . . .
H36 H 0.798752 0.492428 -0.052475 0.094 Uiso 1 1 calc R U . . .
C37 C 0.8849(8) 0.3923(8) -0.0461(7) 0.074(3) Uani 1 1 d . . . . .
H37 H 0.881347 0.383490 -0.100705 0.088 Uiso 1 1 calc R U . . .
C38 C 0.9395(7) 0.3366(7) 0.0035(5) 0.056(2) Uani 1 1 d . . . . .
C39 C 0.9891(7) 0.2641(6) -0.0215(5) 0.050(2) Uani 1 1 d . . . . .
C40 C 0.9968(8) 0.2344(7) -0.0979(5) 0.061(3) Uani 1 1 d . . . . .
H40 H 0.965744 0.263353 -0.141217 0.073 Uiso 1 1 calc R U . . .
C41 C 1.0490(8) 0.1641(8) -0.1083(5) 0.065(3) Uani 1 1 d . . . . .
H41 H 1.057198 0.146943 -0.159524 0.078 Uiso 1 1 calc R U . . .
C42 C 1.0914(7) 0.1157(8) -0.0482(5) 0.058(2) Uani 1 1 d . . . . .
H42 H 1.125364 0.064548 -0.057454 0.070 Uiso 1 1 calc R U . . .
C43 C 1.0817(7) 0.1457(6) 0.0265(5) 0.0472(19) Uani 1 1 d . . . . .
C44 C 1.1178(7) 0.1035(6) 0.0990(5) 0.0461(18) Uani 1 1 d . . . . .
C45 C 1.1751(7) 0.0317(6) 0.1030(5) 0.0482(19) Uani 1 1 d . . . . .
H45 H 1.194878 0.006988 0.058003 0.058 Uiso 1 1 calc R U . . .
C46 C 1.2027(7) -0.0033(6) 0.1749(5) 0.051(2) Uani 1 1 d . . . . .
H46 H 1.240171 -0.053881 0.179016 0.062 Uiso 1 1 calc R U . . .
C47 C 1.1757(6) 0.0356(6) 0.2405(5) 0.0448(18) Uani 1 1 d . . . . .
H47 H 1.194294 0.012307 0.289763 0.054 Uiso 1 1 calc R U . . .
C48 C 1.1212(6) 0.1088(5) 0.2325(5) 0.0398(16) Uani 1 1 d . . . . .
H48 H 1.104085 0.136146 0.277741 0.048 Uiso 1 1 calc R U . . .
Cl1 Cl 0.83763(18) 0.12870(16) 0.10124(12) 0.0514(5) Uani 1 1 d . . . . .
N1 N 0.9284(4) 0.1650(4) 0.4092(3) 0.0319(12) Uani 1 1 d . . . . .
N2 N 0.8082(5) 0.0584(4) 0.2790(3) 0.0329(12) Uani 1 1 d . . . . .
N3 N 0.6717(5) 0.0979(4) 0.3696(4) 0.0367(13) Uani 1 1 d . . . . .
N4 N 0.6681(5) 0.2066(5) 0.2526(4) 0.0400(14) Uani 1 1 d . . . . .
N5 N 0.7948(5) 0.3196(4) 0.3984(3) 0.0326(12) Uani 1 1 d . . . . .
N6 N 0.9222(4) 0.3043(4) 0.2973(3) 0.0318(12) Uani 1 1 d . . . . .
N7 N 1.0003(4) 0.3116(4) 0.2544(3) 0.0323(12) Uani 1 1 d . . . . .
N8 N 1.1636(5) 0.3611(5) 0.1796(4) 0.0387(14) Uani 1 1 d . . . . .
N9 N 0.9447(5) 0.3527(5) 0.0829(4) 0.0496(18) Uani 1 1 d . . . . .
N10 N 1.0346(5) 0.2183(5) 0.0389(4) 0.0484(17) Uani 1 1 d . . . . .
N11 N 1.0912(5) 0.1434(4) 0.1643(4) 0.0383(14) Uani 1 1 d . . . . .
Ru1 Ru 0.79957(4) 0.19148(4) 0.33230(3) 0.02860(16) Uani 1 1 d . . . . .
Ru2 Ru 1.01405(5) 0.25305(4) 0.14296(3) 0.03751(18) Uani 1 1 d . . . . .
F1A F 0.0608(5) 0.8085(4) 0.2890(4) 0.0674(15) Uani 1 1 d . . . . .
F2A F 0.1294(5) 0.6811(4) 0.2661(3) 0.0587(13) Uani 1 1 d . . . . .
F3A F 0.1829(6) 0.8618(4) 0.4008(3) 0.0805(19) Uani 1 1 d . . . . .
F4A F 0.2565(6) 0.7317(5) 0.3784(4) 0.088(2) Uani 1 1 d . . . . .
F5A F 0.0765(6) 0.7001(4) 0.3802(3) 0.0771(18) Uani 1 1 d . . . . .
F6A F 0.2408(5) 0.8407(4) 0.2900(3) 0.0655(14) Uani 1 1 d . . . . .
P1A P 0.15767(19) 0.77046(14) 0.33468(12) 0.0428(5) Uani 1 1 d . . . . .
P1B P 0.5790(3) 0.6246(3) 0.0569(2) 0.0413(9) Uani 0.518(4) 1 d . U P A 1
F1B F 0.5790(10) 0.7356(7) 0.0414(6) 0.071(3) Uani 0.518(4) 1 d . U P A 1
F2B F 0.7046(9) 0.6603(8) 0.0767(7) 0.076(3) Uani 0.518(4) 1 d . U P A 1
F3B F 0.5740(10) 0.6461(9) 0.1437(6) 0.073(3) Uani 0.518(4) 1 d . U P A 1
F4B F 0.5791(9) 0.5126(7) 0.0716(7) 0.067(3) Uani 0.518(4) 1 d . U P A 1
F5B F 0.4477(8) 0.5882(8) 0.0333(7) 0.067(3) Uani 0.518(4) 1 d . U P A 1
F6B F 0.5823(11) 0.6021(10) -0.0310(7) 0.087(3) Uani 0.518(4) 1 d . U P A 1
P1B' P 0.3812(5) 0.2998(5) 0.4343(5) 0.0796(17) Uani 0.482(4) 1 d . U P A 2
F1B' F 0.4783(15) 0.2700(14) 0.4757(12) 0.123(4) Uani 0.482(4) 1 d . U P A 2
F2B' F 0.3541(15) 0.2984(12) 0.5160(10) 0.107(4) Uani 0.482(4) 1 d . U P A 2
F3B' F 0.4211(18) 0.3101(15) 0.3618(12) 0.135(4) Uani 0.482(4) 1 d . U P A 2
F4B' F 0.2841(16) 0.3284(13) 0.3958(11) 0.118(4) Uani 0.482(4) 1 d . U P A 2
F5B' F 0.4307(17) 0.4123(13) 0.4459(13) 0.129(4) Uani 0.482(4) 1 d . U P A 2
F6B' F 0.3318(13) 0.1860(10) 0.4129(8) 0.085(3) Uani 0.482(4) 1 d . U P A 2
O1S O 0.7272(11) 0.6574(9) 0.3419(8) 0.069(3) Uani 0.5 1 d D U P . .
C1S C 0.7173(12) 0.5817(10) 0.2976(8) 0.066(4) Uani 0.5 1 d D U P . .
C2S C 0.6249(13) 0.4921(12) 0.2934(12) 0.070(4) Uani 0.5 1 d D U P . .
H2SA H 0.652616 0.434740 0.307773 0.105 Uiso 0.5 1 calc R U P . .
H2SB H 0.580305 0.476643 0.240128 0.105 Uiso 0.5 1 calc R U P . .
H2SC H 0.579553 0.504544 0.329625 0.105 Uiso 0.5 1 calc R U P . .
C3S C 0.7968(15) 0.5757(15) 0.2499(11) 0.073(4) Uani 0.5 1 d D U P . .
H3SA H 0.810463 0.509461 0.251404 0.109 Uiso 0.5 1 calc R U P . .
H3SB H 0.865860 0.628787 0.270427 0.109 Uiso 0.5 1 calc R U P . .
H3SC H 0.767530 0.584981 0.195918 0.109 Uiso 0.5 1 calc R U P . .
O1R O 0.3549(17) 0.7711(15) 0.1439(13) 0.085(5) Uani 0.330(8) 1 d D U P B 1
C1R C 0.4300(16) 0.8337(14) 0.1898(11) 0.069(5) Uani 0.330(8) 1 d D U P B 1
C2R C 0.491(2) 0.806(2) 0.2610(14) 0.071(6) Uani 0.330(8) 1 d D U P B 1
H2RA H 0.547043 0.866873 0.289297 0.106 Uiso 0.330(8) 1 calc R U P B 1
H2RB H 0.440048 0.778388 0.294402 0.106 Uiso 0.330(8) 1 calc R U P B 1
H2RC H 0.526801 0.756065 0.246911 0.106 Uiso 0.330(8) 1 calc R U P B 1
C3R C 0.4605(16) 0.9393(13) 0.1732(14) 0.045(4) Uani 0.330(8) 1 d D U P B 1
H3RA H 0.521097 0.979465 0.214795 0.067 Uiso 0.330(8) 1 calc R U P B 1
H3RB H 0.483749 0.943232 0.123159 0.067 Uiso 0.330(8) 1 calc R U P B 1
H3RC H 0.396935 0.965868 0.170454 0.067 Uiso 0.330(8) 1 calc R U P B 1
O1R' O 0.502(4) 0.724(4) 0.090(3) 0.092(8) Uani 0.170(8) 1 d D U P B 2
C1R' C 0.425(4) 0.748(4) 0.111(3) 0.081(5) Uani 0.170(8) 1 d D U P B 2
C2R' C 0.430(6) 0.764(5) 0.196(3) 0.080(6) Uani 0.170(8) 1 d D U P B 2
H2RD H 0.448627 0.836511 0.212785 0.119 Uiso 0.170(8) 1 calc R U P B 2
H2RE H 0.485737 0.735958 0.224837 0.119 Uiso 0.170(8) 1 calc R U P B 2
H2RF H 0.357860 0.730017 0.207023 0.119 Uiso 0.170(8) 1 calc R U P B 2
C3R' C 0.377(5) 0.821(5) 0.069(3) 0.083(7) Uani 0.170(8) 1 d D U P B 2
H3RD H 0.317922 0.832158 0.092656 0.125 Uiso 0.170(8) 1 calc R U P B 2
H3RE H 0.434069 0.884823 0.071841 0.125 Uiso 0.170(8) 1 calc R U P B 2
H3RF H 0.347005 0.793176 0.014109 0.125 Uiso 0.170(8) 1 calc R U P B 2


_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
C1 N1 1.329(9) . ?
C1 C2 1.378(10) . ?
C2 C3 1.387(12) . ?
C3 C4 1.370(12) . ?
C4 C5 1.391(10) . ?
C5 N1 1.366(9) . ?
C5 C6 1.481(11) . ?
C6 N2 1.362(9) . ?
C6 C7 1.383(11) . ?
C7 C8 1.393(14) . ?
C8 C9 1.357(14) . ?
C9 C10 1.368(11) . ?
C10 N2 1.348(10) . ?
C11 N3 1.354(9) . ?
C11 C12 1.382(11) . ?
C12 C13 1.380(14) . ?
C13 C14 1.390(14) . ?
C14 C15 1.377(11) . ?
C15 N3 1.357(10) . ?
C15 C16 1.487(11) . ?
C16 N4 1.356(9) . ?
C16 C17 1.392(11) . ?
C17 C18 1.402(14) . ?
C18 C19 1.380(14) . ?
C19 C20 1.379(11) . ?
C20 N4 1.351(10) . ?
C21 N5 1.338(9) . ?
C21 C22 1.389(11) . ?
C22 C23 1.384(12) . ?
C23 C24 1.381(12) . ?
C24 C25 1.376(10) . ?
C25 N5 1.363(9) . ?
C25 C26 1.451(10) . ?
C26 N6 1.373(9) . ?
C26 C27 1.388(9) . ?
C27 C28 1.378(11) . ?
C28 N7 1.361(9) . ?
C28 C29 1.466(10) . ?
C29 N8 1.343(11) . ?
C29 C30 1.396(11) . ?
C30 C31 1.398(13) . ?
C31 C32 1.344(14) . ?
C32 C33 1.393(12) . ?
C33 N8 1.344(10) . ?
C34 N9 1.341(12) . ?
C34 C35 1.408(11) . ?
C35 C36 1.370(17) . ?
C36 C37 1.347(17) . ?
C37 C38 1.406(11) . ?
C38 N9 1.385(11) . ?
C38 C39 1.421(14) . ?
C39 N10 1.380(10) . ?
C39 C40 1.411(13) . ?
C40 C41 1.347(15) . ?
C41 C42 1.382(14) . ?
C42 C43 1.393(12) . ?
C43 N10 1.335(11) . ?
C43 C44 1.476(11) . ?
C44 C45 1.386(12) . ?
C44 N11 1.388(10) . ?
C45 C46 1.392(12) . ?
C46 C47 1.388(12) . ?
C47 C48 1.379(11) . ?
C48 N11 1.340(9) . ?
Cl1 Ru2 2.409(2) . ?
N1 Ru1 2.063(5) . ?
N2 Ru1 2.060(6) . ?
N3 Ru1 2.044(6) . ?
N4 Ru1 2.050(6) . ?
N5 Ru1 2.088(6) . ?
N6 N7 1.356(8) . ?
N6 Ru1 2.111(5) . ?
N7 Ru2 2.134(6) . ?
N8 Ru2 2.061(6) . ?
N9 Ru2 2.068(6) . ?
N10 Ru2 1.950(7) . ?
N11 Ru2 2.042(6) . ?
F1A P1A 1.583(5) . ?
F2A P1A 1.595(5) . ?
F3A P1A 1.591(6) . ?
F4A P1A 1.596(6) . ?
F5A P1A 1.592(5) . ?
F6A P1A 1.596(5) . ?
P1B F2B 1.527(12) . ?
P1B F3B 1.553(12) . ?
P1B F6B 1.568(13) . ?
P1B F1B 1.574(10) . ?
P1B F4B 1.584(10) . ?
P1B F5B 1.598(11) . ?
P1B' F3B' 1.460(19) . ?
P1B' F4B' 1.469(19) . ?
P1B' F1B' 1.50(2) . ?
P1B' F5B' 1.500(19) . ?
P1B' F6B' 1.528(15) . ?
P1B' F2B' 1.539(18) . ?
O1S C1S 1.233(9) . ?
C1S C3S 1.458(9) . ?
C1S C2S 1.458(9) . ?
O1R C1R 1.232(9) . ?
C1R C3R 1.467(10) . ?
C1R C2R 1.470(10) . ?
O1R' C1R' 1.24(2) . ?
C1R' C3R' 1.48(2) . ?
C1R' C2R' 1.48(2) . ?

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
N1 C1 C2 122.9(7) . . ?
C1 C2 C3 119.4(8) . . ?
C4 C3 C2 118.7(7) . . ?
C3 C4 C5 119.3(7) . . ?
N1 C5 C4 121.9(7) . . ?
N1 C5 C6 114.5(6) . . ?
C4 C5 C6 123.6(7) . . ?
N2 C6 C7 121.4(8) . . ?
N2 C6 C5 114.1(6) . . ?
C7 C6 C5 124.3(8) . . ?
C6 C7 C8 118.9(9) . . ?
C9 C8 C7 119.4(8) . . ?
C8 C9 C10 119.6(9) . . ?
N2 C10 C9 122.7(8) . . ?
N3 C11 C12 121.6(8) . . ?
C13 C12 C11 119.4(9) . . ?
C12 C13 C14 119.3(8) . . ?
C15 C14 C13 118.9(9) . . ?
N3 C15 C14 122.1(8) . . ?
N3 C15 C16 114.1(6) . . ?
C14 C15 C16 123.7(7) . . ?
N4 C16 C17 120.6(7) . . ?
N4 C16 C15 114.3(6) . . ?
C17 C16 C15 125.0(7) . . ?
C16 C17 C18 119.4(8) . . ?
C19 C18 C17 119.4(8) . . ?
C20 C19 C18 118.3(8) . . ?
N4 C20 C19 123.1(8) . . ?
N5 C21 C22 122.2(7) . . ?
C23 C22 C21 119.1(8) . . ?
C24 C23 C22 119.1(7) . . ?
C25 C24 C23 119.0(7) . . ?
N5 C25 C24 122.3(7) . . ?
N5 C25 C26 114.3(6) . . ?
C24 C25 C26 123.3(7) . . ?
N6 C26 C27 110.1(6) . . ?
N6 C26 C25 118.5(6) . . ?
C27 C26 C25 131.4(7) . . ?
C28 C27 C26 103.5(6) . . ?
N7 C28 C27 111.7(6) . . ?
N7 C28 C29 116.5(7) . . ?
C27 C28 C29 131.8(7) . . ?
N8 C29 C30 121.9(7) . . ?
N8 C29 C28 114.9(6) . . ?
C30 C29 C28 123.1(8) . . ?
C29 C30 C31 117.5(9) . . ?
C32 C31 C30 120.6(8) . . ?
C31 C32 C33 119.2(8) . . ?
N8 C33 C32 121.6(8) . . ?
N9 C34 C35 121.6(10) . . ?
C36 C35 C34 117.7(11) . . ?
C37 C36 C35 121.2(9) . . ?
C36 C37 C38 121.0(11) . . ?
N9 C38 C37 117.8(10) . . ?
N9 C38 C39 117.1(7) . . ?
C37 C38 C39 125.0(9) . . ?
N10 C39 C40 117.9(9) . . ?
N10 C39 C38 113.3(7) . . ?
C40 C39 C38 128.7(8) . . ?
C41 C40 C39 118.8(8) . . ?
C40 C41 C42 123.3(9) . . ?
C41 C42 C43 116.7(10) . . ?
N10 C43 C42 121.2(8) . . ?
N10 C43 C44 112.3(7) . . ?
C42 C43 C44 126.5(9) . . ?
C45 C44 N11 122.1(7) . . ?
C45 C44 C43 123.9(8) . . ?
N11 C44 C43 114.0(7) . . ?
C44 C45 C46 118.2(8) . . ?
C47 C46 C45 120.0(8) . . ?
C48 C47 C46 118.6(8) . . ?
N11 C48 C47 123.4(8) . . ?
C1 N1 C5 117.9(6) . . ?
C1 N1 Ru1 126.4(5) . . ?
C5 N1 Ru1 115.3(5) . . ?
C10 N2 C6 118.0(6) . . ?
C10 N2 Ru1 124.3(5) . . ?
C6 N2 Ru1 115.7(5) . . ?
C11 N3 C15 118.7(6) . . ?
C11 N3 Ru1 125.0(5) . . ?
C15 N3 Ru1 116.1(5) . . ?
C20 N4 C16 119.1(6) . . ?
C20 N4 Ru1 125.3(5) . . ?
C16 N4 Ru1 115.5(5) . . ?
C21 N5 C25 118.3(6) . . ?
C21 N5 Ru1 126.6(5) . . ?
C25 N5 Ru1 115.1(5) . . ?
N7 N6 C26 107.8(5) . . ?
N7 N6 Ru1 139.0(4) . . ?
C26 N6 Ru1 111.2(4) . . ?
N6 N7 C28 106.8(6) . . ?
N6 N7 Ru2 138.5(4) . . ?
C28 N7 Ru2 110.4(5) . . ?
C29 N8 C33 119.1(7) . . ?
C29 N8 Ru2 115.5(5) . . ?
C33 N8 Ru2 125.4(6) . . ?
C34 N9 C38 120.5(7) . . ?
C34 N9 Ru2 128.2(6) . . ?
C38 N9 Ru2 111.1(6) . . ?
C43 N10 C39 122.0(8) . . ?
C43 N10 Ru2 120.3(5) . . ?
C39 N10 Ru2 117.4(6) . . ?
C48 N11 C44 117.6(7) . . ?
C48 N11 Ru2 128.4(5) . . ?
C44 N11 Ru2 114.0(5) . . ?
N3 Ru1 N4 79.2(2) . . ?
N3 Ru1 N2 83.2(2) . . ?
N4 Ru1 N2 97.0(2) . . ?
N3 Ru1 N1 98.9(2) . . ?
N4 Ru1 N1 175.7(2) . . ?
N2 Ru1 N1 78.9(2) . . ?
N3 Ru1 N5 93.7(2) . . ?
N4 Ru1 N5 88.1(2) . . ?
N2 Ru1 N5 173.5(2) . . ?
N1 Ru1 N5 95.9(2) . . ?
N3 Ru1 N6 172.1(2) . . ?
N4 Ru1 N6 97.1(2) . . ?
N2 Ru1 N6 104.2(2) . . ?
N1 Ru1 N6 85.3(2) . . ?
N5 Ru1 N6 79.1(2) . . ?
N10 Ru2 N11 79.3(3) . . ?
N10 Ru2 N8 96.3(3) . . ?
N11 Ru2 N8 89.3(2) . . ?
N10 Ru2 N9 80.6(3) . . ?
N11 Ru2 N9 159.9(3) . . ?
N8 Ru2 N9 92.4(2) . . ?
N10 Ru2 N7 172.3(2) . . ?
N11 Ru2 N7 105.7(2) . . ?
N8 Ru2 N7 78.2(2) . . ?
N9 Ru2 N7 94.2(3) . . ?
N10 Ru2 Cl1 84.5(2) . . ?
N11 Ru2 Cl1 91.52(17) . . ?
N8 Ru2 Cl1 179.0(2) . . ?
N9 Ru2 Cl1 87.09(19) . . ?
N7 Ru2 Cl1 100.93(15) . . ?
F1A P1A F3A 88.8(3) . . ?
F1A P1A F5A 91.2(4) . . ?
F3A P1A F5A 90.3(3) . . ?
F1A P1A F2A 89.0(3) . . ?
F3A P1A F2A 177.7(3) . . ?
F5A P1A F2A 90.4(3) . . ?
F1A P1A F4A 178.3(4) . . ?
F3A P1A F4A 92.4(4) . . ?
F5A P1A F4A 90.0(4) . . ?
F2A P1A F4A 89.8(3) . . ?
F1A P1A F6A 89.7(3) . . ?
F3A P1A F6A 89.5(3) . . ?
F5A P1A F6A 179.1(4) . . ?
F2A P1A F6A 89.8(3) . . ?
F4A P1A F6A 89.1(3) . . ?
F2B P1B F3B 91.5(7) . . ?
F2B P1B F6B 89.3(7) . . ?
F3B P1B F6B 179.2(8) . . ?
F2B P1B F1B 88.8(6) . . ?
F3B P1B F1B 91.2(6) . . ?
F6B P1B F1B 89.0(7) . . ?
F2B P1B F4B 91.2(6) . . ?
F3B P1B F4B 89.4(6) . . ?
F6B P1B F4B 90.4(7) . . ?
F1B P1B F4B 179.4(7) . . ?
F2B P1B F5B 178.1(7) . . ?
F3B P1B F5B 90.3(6) . . ?
F6B P1B F5B 88.9(7) . . ?
F1B P1B F5B 90.4(6) . . ?
F4B P1B F5B 89.6(6) . . ?
F3B' P1B' F4B' 88.5(12) . . ?
F3B' P1B' F1B' 93.3(12) . . ?
F4B' P1B' F1B' 178.1(11) . . ?
F3B' P1B' F5B' 82.5(11) . . ?
F4B' P1B' F5B' 81.8(11) . . ?
F1B' P1B' F5B' 98.7(11) . . ?
F3B' P1B' F6B' 91.3(10) . . ?
F4B' P1B' F6B' 96.5(10) . . ?
F1B' P1B' F6B' 83.3(10) . . ?
F5B' P1B' F6B' 173.5(11) . . ?
F3B' P1B' F2B' 172.4(12) . . ?
F4B' P1B' F2B' 96.1(10) . . ?
F1B' P1B' F2B' 82.1(11) . . ?
F5B' P1B' F2B' 92.2(11) . . ?
F6B' P1B' F2B' 94.2(8) . . ?
O1S C1S C3S 122.8(14) . . ?
O1S C1S C2S 119.8(13) . . ?
C3S C1S C2S 117.3(13) . . ?
O1R C1R C3R 119.3(16) . . ?
O1R C1R C2R 122.3(16) . . ?
C3R C1R C2R 118.4(15) . . ?
O1R' C1R' C3R' 119(3) . . ?
O1R' C1R' C2R' 118(3) . . ?
C3R' C1R' C2R' 111(3) . . ?

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
N1 C1 C2 C3 1.9(11) . . . . ?
C1 C2 C3 C4 -3.4(11) . . . . ?
C2 C3 C4 C5 2.2(11) . . . . ?
C3 C4 C5 N1 0.5(10) . . . . ?
C3 C4 C5 C6 -178.1(6) . . . . ?
N1 C5 C6 N2 14.1(8) . . . . ?
C4 C5 C6 N2 -167.1(6) . . . . ?
N1 C5 C6 C7 -161.3(7) . . . . ?
C4 C5 C6 C7 17.4(11) . . . . ?
N2 C6 C7 C8 0.0(12) . . . . ?
C5 C6 C7 C8 175.2(8) . . . . ?
C6 C7 C8 C9 0.5(14) . . . . ?
C7 C8 C9 C10 -1.0(14) . . . . ?
C8 C9 C10 N2 1.0(13) . . . . ?
N3 C11 C12 C13 -1.4(17) . . . . ?
C11 C12 C13 C14 0(2) . . . . ?
C12 C13 C14 C15 1(2) . . . . ?
C13 C14 C15 N3 -0.4(17) . . . . ?
C13 C14 C15 C16 177.2(11) . . . . ?
N3 C15 C16 N4 9.4(11) . . . . ?
C14 C15 C16 N4 -168.4(9) . . . . ?
N3 C15 C16 C17 -174.6(9) . . . . ?
C14 C15 C16 C17 7.6(15) . . . . ?
N4 C16 C17 C18 2.3(15) . . . . ?
C15 C16 C17 C18 -173.5(10) . . . . ?
C16 C17 C18 C19 0.8(18) . . . . ?
C17 C18 C19 C20 -2.9(17) . . . . ?
C18 C19 C20 N4 2.1(16) . . . . ?
N5 C21 C22 C23 0.6(11) . . . . ?
C21 C22 C23 C24 -0.8(12) . . . . ?
C22 C23 C24 C25 0.7(12) . . . . ?
C23 C24 C25 N5 -0.4(11) . . . . ?
C23 C24 C25 C26 177.9(7) . . . . ?
N5 C25 C26 N6 9.3(9) . . . . ?
C24 C25 C26 N6 -169.1(7) . . . . ?
N5 C25 C26 C27 -170.8(7) . . . . ?
C24 C25 C26 C27 10.8(12) . . . . ?
N6 C26 C27 C28 0.1(8) . . . . ?
C25 C26 C27 C28 -179.9(7) . . . . ?
C26 C27 C28 N7 1.4(8) . . . . ?
C26 C27 C28 C29 -179.1(7) . . . . ?
N7 C28 C29 N8 9.5(9) . . . . ?
C27 C28 C29 N8 -169.9(7) . . . . ?
N7 C28 C29 C30 -168.5(7) . . . . ?
C27 C28 C29 C30 12.1(12) . . . . ?
N8 C29 C30 C31 -2.7(12) . . . . ?
C28 C29 C30 C31 175.2(7) . . . . ?
C29 C30 C31 C32 -0.6(13) . . . . ?
C30 C31 C32 C33 2.9(13) . . . . ?
C31 C32 C33 N8 -2.2(12) . . . . ?
N9 C34 C35 C36 -2.1(14) . . . . ?
C34 C35 C36 C37 -0.9(15) . . . . ?
C35 C36 C37 C38 2.5(16) . . . . ?
C36 C37 C38 N9 -1.1(13) . . . . ?
C36 C37 C38 C39 178.2(9) . . . . ?
N9 C38 C39 N10 1.0(10) . . . . ?
C37 C38 C39 N10 -178.3(8) . . . . ?
N9 C38 C39 C40 -179.1(8) . . . . ?
C37 C38 C39 C40 1.5(14) . . . . ?
N10 C39 C40 C41 -0.8(12) . . . . ?
C38 C39 C40 C41 179.3(8) . . . . ?
C39 C40 C41 C42 3.1(14) . . . . ?
C40 C41 C42 C43 -2.5(14) . . . . ?
C41 C42 C43 N10 -0.5(12) . . . . ?
C41 C42 C43 C44 178.3(8) . . . . ?
N10 C43 C44 C45 -175.9(7) . . . . ?
C42 C43 C44 C45 5.2(13) . . . . ?
N10 C43 C44 N11 3.0(10) . . . . ?
C42 C43 C44 N11 -175.9(7) . . . . ?
N11 C44 C45 C46 2.3(12) . . . . ?
C43 C44 C45 C46 -178.9(7) . . . . ?
C44 C45 C46 C47 -1.7(12) . . . . ?
C45 C46 C47 C48 0.1(12) . . . . ?
C46 C47 C48 N11 1.2(12) . . . . ?
C2 C1 N1 C5 0.8(10) . . . . ?
C2 C1 N1 Ru1 -171.1(5) . . . . ?
C4 C5 N1 C1 -2.0(9) . . . . ?
C6 C5 N1 C1 176.8(6) . . . . ?
C4 C5 N1 Ru1 170.8(5) . . . . ?
C6 C5 N1 Ru1 -10.4(7) . . . . ?
C9 C10 N2 C6 -0.4(11) . . . . ?
C9 C10 N2 Ru1 -163.6(6) . . . . ?
C7 C6 N2 C10 -0.1(10) . . . . ?
C5 C6 N2 C10 -175.7(6) . . . . ?
C7 C6 N2 Ru1 164.5(6) . . . . ?
C5 C6 N2 Ru1 -11.1(7) . . . . ?
C12 C11 N3 C15 2.0(12) . . . . ?
C12 C11 N3 Ru1 -171.9(8) . . . . ?
C14 C15 N3 C11 -1.1(13) . . . . ?
C16 C15 N3 C11 -179.0(7) . . . . ?
C14 C15 N3 Ru1 173.3(8) . . . . ?
C16 C15 N3 Ru1 -4.5(9) . . . . ?
C19 C20 N4 C16 0.9(13) . . . . ?
C19 C20 N4 Ru1 -175.8(7) . . . . ?
C17 C16 N4 C20 -3.1(13) . . . . ?
C15 C16 N4 C20 173.1(8) . . . . ?
C17 C16 N4 Ru1 173.9(7) . . . . ?
C15 C16 N4 Ru1 -9.9(9) . . . . ?
C22 C21 N5 C25 -0.3(10) . . . . ?
C22 C21 N5 Ru1 -179.6(5) . . . . ?
C24 C25 N5 C21 0.2(10) . . . . ?
C26 C25 N5 C21 -178.2(6) . . . . ?
C24 C25 N5 Ru1 179.6(6) . . . . ?
C26 C25 N5 Ru1 1.2(7) . . . . ?
C27 C26 N6 N7 -1.6(7) . . . . ?
C25 C26 N6 N7 178.4(6) . . . . ?
C27 C26 N6 Ru1 165.5(5) . . . . ?
C25 C26 N6 Ru1 -14.6(7) . . . . ?
C26 N6 N7 C28 2.4(7) . . . . ?
Ru1 N6 N7 C28 -159.0(5) . . . . ?
C26 N6 N7 Ru2 -150.6(5) . . . . ?
Ru1 N6 N7 Ru2 48.0(9) . . . . ?
C27 C28 N7 N6 -2.4(7) . . . . ?
C29 C28 N7 N6 178.1(6) . . . . ?
C27 C28 N7 Ru2 158.8(5) . . . . ?
C29 C28 N7 Ru2 -20.7(7) . . . . ?
C30 C29 N8 C33 3.4(10) . . . . ?
C28 C29 N8 C33 -174.6(6) . . . . ?
C30 C29 N8 Ru2 -174.3(6) . . . . ?
C28 C29 N8 Ru2 7.7(7) . . . . ?
C32 C33 N8 C29 -1.0(10) . . . . ?
C32 C33 N8 Ru2 176.5(6) . . . . ?
C35 C34 N9 C38 3.5(12) . . . . ?
C35 C34 N9 Ru2 -171.8(6) . . . . ?
C37 C38 N9 C34 -1.9(11) . . . . ?
C39 C38 N9 C34 178.7(7) . . . . ?
C37 C38 N9 Ru2 174.2(6) . . . . ?
C39 C38 N9 Ru2 -5.2(9) . . . . ?
C42 C43 N10 C39 2.8(12) . . . . ?
C44 C43 N10 C39 -176.2(7) . . . . ?
C42 C43 N10 Ru2 176.2(6) . . . . ?
C44 C43 N10 Ru2 -2.8(9) . . . . ?
C40 C39 N10 C43 -2.1(11) . . . . ?
C38 C39 N10 C43 177.8(7) . . . . ?
C40 C39 N10 Ru2 -175.7(6) . . . . ?
C38 C39 N10 Ru2 4.2(9) . . . . ?
C47 C48 N11 C44 -0.7(11) . . . . ?
C47 C48 N11 Ru2 -178.3(6) . . . . ?
C45 C44 N11 C48 -1.1(11) . . . . ?
C43 C44 N11 C48 180.0(6) . . . . ?
C45 C44 N11 Ru2 176.9(6) . . . . ?
C43 C44 N11 Ru2 -2.0(8) . . . . ?

_refine_diff_density_max         3.175
_refine_diff_density_min         -1.849
_refine_diff_density_rms         0.177
