# Electronic Supplementary Material (ESI) for Green Chemistry.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_190529d
_database_code_depnum_ccdc_archive 'CCDC 1920254'
loop_
_audit_author_name
_audit_author_address
'Li Deng'
;QIBEBT, CAS
China
;
_audit_update_record             
;
2019-06-03 deposited with the CCDC.	2020-03-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H28 Cl2 F12 N6 P2 Ru'
_chemical_formula_weight         1006.55

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   12.8944(11)
_cell_length_b                   12.8937(11)
_cell_length_c                   12.9630(12)
_cell_angle_alpha                82.985(2)
_cell_angle_beta                 66.9870(10)
_cell_angle_gamma                88.659(2)
_cell_volume                     1968.1(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    2324
_cell_measurement_theta_min      2.372
_cell_measurement_theta_max      21.04

_exptl_crystal_description       Block
_exptl_crystal_colour            Dark
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.698
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1004
_exptl_absorpt_coefficient_mu    0.710
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8889
_exptl_absorpt_correction_T_max  0.9654
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10005
_diffrn_reflns_av_R_equivalents  0.0906
_diffrn_reflns_av_sigmaI/netI    0.1080
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.31
_diffrn_reflns_theta_max         25.02
_reflns_number_total             6807
_reflns_number_gt                4483
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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)+(0.1238P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6807
_refine_ls_number_parameters     533
_refine_ls_number_restraints     278
_refine_ls_R_factor_all          0.1263
_refine_ls_R_factor_gt           0.0980
_refine_ls_wR_factor_ref         0.2467
_refine_ls_wR_factor_gt          0.2296
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_restrained_S_all      1.112
_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 0.28835(5) 0.78169(4) 0.29389(5) 0.0434(3) Uani 1 1 d . . .
Cl1 Cl 0.1692(5) 0.7190(5) 0.7603(4) 0.1695(19) Uani 1 1 d DU . .
Cl2 Cl 0.1311(7) 0.8927(4) 0.8896(5) 0.226(3) Uani 1 1 d DU . .
F1 F 0.3326(7) 0.2744(7) 0.7827(7) 0.131(3) Uani 1 1 d U . .
F2 F 0.0735(6) 0.2535(6) 0.8329(7) 0.113(2) Uani 1 1 d U . .
F3 F 0.1788(7) 0.2643(6) 0.9395(6) 0.111(2) Uani 1 1 d U . .
F4 F 0.2065(7) 0.1410(5) 0.8210(6) 0.114(2) Uani 1 1 d U . .
F5 F 0.2285(7) 0.2653(5) 0.6786(5) 0.106(2) Uani 1 1 d U . .
F6 F 0.1952(7) 0.3878(5) 0.7966(6) 0.115(2) Uani 1 1 d U . .
F7 F 0.2842(8) 0.3489(7) 0.3842(7) 0.152(3) Uani 1 1 d U . .
F8 F 0.4712(6) 0.3125(6) 0.1458(6) 0.121(2) Uani 1 1 d U . .
F9 F 0.4596(6) 0.4089(6) 0.2869(6) 0.106(2) Uani 1 1 d U . .
F10 F 0.3376(8) 0.4297(7) 0.2075(8) 0.149(3) Uani 1 1 d U . .
F11 F 0.2986(7) 0.2575(8) 0.2474(8) 0.160(4) Uani 1 1 d U . .
F12 F 0.4221(9) 0.2367(6) 0.3210(8) 0.155(3) Uani 1 1 d U . .
N1 N 0.3023(6) 0.9141(5) 0.1789(6) 0.0501(16) Uani 1 1 d . . .
N2 N 0.4040(6) 0.8650(5) 0.3137(6) 0.0484(16) Uani 1 1 d . . .
N3 N 0.3211(6) 0.6810(5) 0.4158(5) 0.0477(16) Uani 1 1 d . . .
N4 N 0.1623(5) 0.6907(5) 0.2802(5) 0.0439(15) Uani 1 1 d . . .
N5 N 0.1424(5) 0.8210(5) 0.4269(5) 0.0447(15) Uani 1 1 d . . .
N6 N 0.4214(5) 0.7134(5) 0.1815(5) 0.0454(15) Uani 1 1 d . . .
P1 P 0.3778(2) 0.3326(2) 0.2661(2) 0.0710(7) Uani 1 1 d U . .
P2 P 0.2025(3) 0.2649(2) 0.8088(2) 0.0686(7) Uani 1 1 d U . .
C1 C 0.2402(8) 0.9372(7) 0.1155(8) 0.062(2) Uani 1 1 d . . .
H1 H 0.1828 0.8908 0.1231 0.075 Uiso 1 1 calc R . .
C2 C 0.2592(9) 1.0267(7) 0.0407(8) 0.069(3) Uani 1 1 d . . .
H2 H 0.2166 1.0404 -0.0028 0.083 Uiso 1 1 calc R . .
C3 C 0.3426(10) 1.0953(8) 0.0319(9) 0.078(3) Uani 1 1 d . . .
H3 H 0.3573 1.1560 -0.0188 0.093 Uiso 1 1 calc R . .
C4 C 0.4048(8) 1.0757(6) 0.0966(8) 0.064(3) Uani 1 1 d . . .
H4 H 0.4599 1.1236 0.0918 0.077 Uiso 1 1 calc R . .
C5 C 0.3844(7) 0.9833(6) 0.1695(7) 0.050(2) Uani 1 1 d . . .
C6 C 0.4432(7) 0.9553(6) 0.2461(7) 0.053(2) Uani 1 1 d . . .
C7 C 0.5290(8) 1.0123(7) 0.2593(9) 0.068(3) Uani 1 1 d . . .
H7 H 0.5570 1.0751 0.2138 0.082 Uiso 1 1 calc R . .
C8 C 0.5705(8) 0.9755(8) 0.3382(10) 0.074(3) Uani 1 1 d . . .
H8 H 0.6264 1.0138 0.3464 0.089 Uiso 1 1 calc R . .
C9 C 0.5305(8) 0.8815(7) 0.4065(8) 0.064(2) Uani 1 1 d . . .
H9 H 0.5591 0.8563 0.4601 0.076 Uiso 1 1 calc R . .
C10 C 0.4463(7) 0.8257(6) 0.3925(7) 0.053(2) Uani 1 1 d . . .
C11 C 0.3990(7) 0.7218(7) 0.4503(7) 0.054(2) Uani 1 1 d . . .
C12 C 0.4303(9) 0.6651(8) 0.5300(8) 0.066(2) Uani 1 1 d . . .
H12 H 0.4833 0.6926 0.5521 0.079 Uiso 1 1 calc R . .
C13 C 0.3813(9) 0.5648(7) 0.5779(8) 0.069(3) Uani 1 1 d . . .
H13 H 0.3980 0.5273 0.6353 0.083 Uiso 1 1 calc R . .
C14 C 0.3104(8) 0.5242(7) 0.5399(8) 0.058(2) Uani 1 1 d . . .
H14 H 0.2803 0.4569 0.5687 0.070 Uiso 1 1 calc R . .
C15 C 0.2816(7) 0.5812(6) 0.4586(7) 0.051(2) Uani 1 1 d . . .
H15 H 0.2337 0.5508 0.4320 0.062 Uiso 1 1 calc R . .
C16 C 0.0704(7) 0.6735(6) 0.3773(7) 0.0497(19) Uani 1 1 d . . .
C17 C -0.0138(8) 0.5975(7) 0.3986(8) 0.062(2) Uani 1 1 d . . .
H17 H -0.0745 0.5865 0.4680 0.074 Uiso 1 1 calc R . .
C18 C -0.0027(9) 0.5388(7) 0.3110(9) 0.068(3) Uani 1 1 d . . .
H18 H -0.0541 0.4845 0.3238 0.082 Uiso 1 1 calc R . .
C19 C 0.0839(7) 0.5606(6) 0.2055(7) 0.051(2) Uani 1 1 d . . .
C20 C 0.1682(7) 0.6374(6) 0.1898(7) 0.050(2) Uani 1 1 d . . .
C21 C 0.2531(7) 0.6669(6) 0.0803(7) 0.053(2) Uani 1 1 d . . .
H21 H 0.3070 0.7187 0.0682 0.063 Uiso 1 1 calc R . .
C22 C 0.2526(8) 0.6161(7) -0.0073(8) 0.062(2) Uani 1 1 d . . .
H22 H 0.3075 0.6345 -0.0793 0.074 Uiso 1 1 calc R . .
C23 C 0.1749(9) 0.5400(8) 0.0078(9) 0.071(3) Uani 1 1 d . . .
H23 H 0.1778 0.5080 -0.0538 0.085 Uiso 1 1 calc R . .
C24 C 0.0931(9) 0.5102(7) 0.1110(10) 0.074(3) Uani 1 1 d . . .
H24 H 0.0426 0.4561 0.1200 0.089 Uiso 1 1 calc R . .
C25 C 0.0615(7) 0.7449(6) 0.4637(7) 0.0467(18) Uani 1 1 d . . .
C26 C -0.0272(8) 0.7367(7) 0.5673(8) 0.059(2) Uani 1 1 d . . .
H26 H -0.0789 0.6811 0.5881 0.071 Uiso 1 1 calc R . .
C27 C -0.0404(8) 0.8082(8) 0.6394(8) 0.068(3) Uani 1 1 d . . .
H27 H -0.0986 0.8012 0.7107 0.082 Uiso 1 1 calc R . .
C28 C 0.0375(7) 0.8944(6) 0.6029(7) 0.055(2) Uani 1 1 d . . .
C29 C 0.1256(7) 0.9016(6) 0.4970(6) 0.0448(18) Uani 1 1 d . . .
C30 C 0.2006(8) 0.9896(6) 0.4576(8) 0.056(2) Uani 1 1 d . . .
H30 H 0.2594 0.9947 0.3868 0.067 Uiso 1 1 calc R . .
C31 C 0.1850(8) 1.0675(7) 0.5259(8) 0.061(2) Uani 1 1 d . . .
H31 H 0.2335 1.1258 0.5003 0.073 Uiso 1 1 calc R . .
C32 C 0.0954(10) 1.0602(8) 0.6357(9) 0.077(3) Uani 1 1 d . . .
H32 H 0.0863 1.1126 0.6817 0.093 Uiso 1 1 calc R . .
C33 C 0.0248(8) 0.9764(8) 0.6710(8) 0.068(3) Uani 1 1 d . . .
H33 H -0.0340 0.9718 0.7417 0.081 Uiso 1 1 calc R . .
C34 C 0.4945(7) 0.6631(6) 0.1316(7) 0.0479(19) Uani 1 1 d . . .
C35 C 0.5837(7) 0.5956(7) 0.0744(8) 0.062(2) Uani 1 1 d . . .
H35A H 0.6282 0.5784 0.1183 0.094 Uiso 1 1 calc R . .
H35B H 0.6306 0.6307 0.0017 0.094 Uiso 1 1 calc R . .
H35C H 0.5518 0.5327 0.0649 0.094 Uiso 1 1 calc R . .
C36 C 0.0814(10) 0.7757(8) 0.8772(10) 0.119(5) Uani 1 1 d DU . .
H36A H 0.0083 0.7857 0.8729 0.142 Uiso 1 1 calc R . .
H36B H 0.0707 0.7280 0.9447 0.142 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 N2 1.971(6) . ?
Ru1 N6 2.032(6) . ?
Ru1 N1 2.086(6) . ?
Ru1 N3 2.086(6) . ?
Ru1 N5 2.098(7) . ?
Ru1 N4 2.102(6) . ?
Cl1 C36 1.733(9) . ?
Cl2 C36 1.702(8) . ?
F1 P2 1.582(8) . ?
F2 P2 1.575(8) . ?
F3 P2 1.599(7) . ?
F4 P2 1.588(7) . ?
F5 P2 1.586(7) . ?
F6 P2 1.577(7) . ?
F7 P1 1.571(8) . ?
F8 P1 1.602(7) . ?
F9 P1 1.578(7) . ?
F10 P1 1.568(8) . ?
F11 P1 1.529(7) . ?
F12 P1 1.559(9) . ?
N1 C1 1.360(11) . ?
N1 C5 1.360(10) . ?
N2 C6 1.346(10) . ?
N2 C10 1.376(11) . ?
N3 C15 1.363(9) . ?
N3 C11 1.386(10) . ?
N4 C16 1.348(10) . ?
N4 C20 1.405(10) . ?
N5 C25 1.350(9) . ?
N5 C29 1.421(9) . ?
N6 C34 1.152(10) . ?
C1 C2 1.373(12) . ?
C1 H1 0.9300 . ?
C2 C3 1.369(14) . ?
C2 H2 0.9300 . ?
C3 C4 1.370(14) . ?
C3 H3 0.9300 . ?
C4 C5 1.388(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.476(12) . ?
C6 C7 1.417(12) . ?
C7 C8 1.363(14) . ?
C7 H7 0.9300 . ?
C8 C9 1.389(13) . ?
C8 H8 0.9300 . ?
C9 C10 1.397(12) . ?
C9 H9 0.9300 . ?
C10 C11 1.471(12) . ?
C11 C12 1.376(12) . ?
C12 C13 1.413(13) . ?
C12 H12 0.9300 . ?
C13 C14 1.338(12) . ?
C13 H13 0.9300 . ?
C14 C15 1.376(11) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.402(11) . ?
C16 C25 1.503(11) . ?
C17 C18 1.400(13) . ?
C17 H17 0.9300 . ?
C18 C19 1.387(13) . ?
C18 H18 0.9300 . ?
C19 C24 1.419(12) . ?
C19 C20 1.425(11) . ?
C20 C21 1.425(12) . ?
C21 C22 1.381(11) . ?
C21 H21 0.9300 . ?
C22 C23 1.360(13) . ?
C22 H22 0.9300 . ?
C23 C24 1.357(14) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.376(12) . ?
C26 C27 1.354(13) . ?
C26 H26 0.9300 . ?
C27 C28 1.422(12) . ?
C27 H27 0.9300 . ?
C28 C29 1.392(11) . ?
C28 C33 1.425(12) . ?
C29 C30 1.416(11) . ?
C30 C31 1.380(11) . ?
C30 H30 0.9300 . ?
C31 C32 1.434(14) . ?
C31 H31 0.9300 . ?
C32 C33 1.343(14) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 C35 1.440(11) . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?

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
N2 Ru1 N6 84.9(3) . . ?
N2 Ru1 N1 78.9(3) . . ?
N6 Ru1 N1 92.7(3) . . ?
N2 Ru1 N3 79.7(3) . . ?
N6 Ru1 N3 84.8(3) . . ?
N1 Ru1 N3 158.6(3) . . ?
N2 Ru1 N5 101.0(2) . . ?
N6 Ru1 N5 168.3(2) . . ?
N1 Ru1 N5 98.3(3) . . ?
N3 Ru1 N5 86.3(2) . . ?
N2 Ru1 N4 177.6(3) . . ?
N6 Ru1 N4 96.4(2) . . ?
N1 Ru1 N4 103.0(3) . . ?
N3 Ru1 N4 98.4(2) . . ?
N5 Ru1 N4 77.3(2) . . ?
C1 N1 C5 118.7(7) . . ?
C1 N1 Ru1 127.9(6) . . ?
C5 N1 Ru1 113.4(5) . . ?
C6 N2 C10 122.2(7) . . ?
C6 N2 Ru1 119.2(6) . . ?
C10 N2 Ru1 118.5(5) . . ?
C15 N3 C11 117.8(7) . . ?
C15 N3 Ru1 128.7(5) . . ?
C11 N3 Ru1 113.4(5) . . ?
C16 N4 C20 118.0(7) . . ?
C16 N4 Ru1 113.0(5) . . ?
C20 N4 Ru1 128.5(6) . . ?
C25 N5 C29 116.0(7) . . ?
C25 N5 Ru1 112.6(5) . . ?
C29 N5 Ru1 129.9(5) . . ?
C34 N6 Ru1 169.4(7) . . ?
F11 P1 F12 88.3(6) . . ?
F11 P1 F10 92.7(6) . . ?
F12 P1 F10 178.0(6) . . ?
F11 P1 F7 90.1(4) . . ?
F12 P1 F7 90.7(6) . . ?
F10 P1 F7 91.1(6) . . ?
F11 P1 F9 179.1(6) . . ?
F12 P1 F9 90.9(5) . . ?
F10 P1 F9 88.1(5) . . ?
F7 P1 F9 89.5(4) . . ?
F11 P1 F8 88.2(4) . . ?
F12 P1 F8 88.6(5) . . ?
F10 P1 F8 89.6(5) . . ?
F7 P1 F8 178.1(4) . . ?
F9 P1 F8 92.2(4) . . ?
F2 P2 F6 90.8(5) . . ?
F2 P2 F1 178.7(5) . . ?
F6 P2 F1 90.2(5) . . ?
F2 P2 F5 88.1(4) . . ?
F6 P2 F5 90.7(4) . . ?
F1 P2 F5 91.0(5) . . ?
F2 P2 F4 87.7(4) . . ?
F6 P2 F4 178.4(5) . . ?
F1 P2 F4 91.4(5) . . ?
F5 P2 F4 89.0(4) . . ?
F2 P2 F3 92.9(4) . . ?
F6 P2 F3 89.5(4) . . ?
F1 P2 F3 88.0(4) . . ?
F5 P2 F3 178.9(5) . . ?
F4 P2 F3 90.9(4) . . ?
N1 C1 C2 122.3(9) . . ?
N1 C1 H1 118.8 . . ?
C2 C1 H1 118.8 . . ?
C3 C2 C1 118.2(9) . . ?
C3 C2 H2 120.9 . . ?
C1 C2 H2 120.9 . . ?
C2 C3 C4 120.9(9) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
C3 C4 C5 119.0(9) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
N1 C5 C4 120.8(8) . . ?
N1 C5 C6 115.2(7) . . ?
C4 C5 C6 123.9(8) . . ?
N2 C6 C7 118.3(8) . . ?
N2 C6 C5 113.0(7) . . ?
C7 C6 C5 128.7(8) . . ?
C8 C7 C6 120.3(9) . . ?
C8 C7 H7 119.8 . . ?
C6 C7 H7 119.8 . . ?
C7 C8 C9 120.9(9) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C8 C9 C10 118.3(9) . . ?
C8 C9 H9 120.8 . . ?
C10 C9 H9 120.8 . . ?
N2 C10 C9 119.9(8) . . ?
N2 C10 C11 113.4(7) . . ?
C9 C10 C11 126.5(8) . . ?
C12 C11 N3 120.8(8) . . ?
C12 C11 C10 124.3(8) . . ?
N3 C11 C10 114.9(7) . . ?
C11 C12 C13 119.4(9) . . ?
C11 C12 H12 120.3 . . ?
C13 C12 H12 120.3 . . ?
C14 C13 C12 119.2(8) . . ?
C14 C13 H13 120.4 . . ?
C12 C13 H13 120.4 . . ?
C13 C14 C15 120.5(8) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
N3 C15 C14 122.1(8) . . ?
N3 C15 H15 119.0 . . ?
C14 C15 H15 119.0 . . ?
N4 C16 C17 124.3(8) . . ?
N4 C16 C25 114.9(7) . . ?
C17 C16 C25 120.8(8) . . ?
C18 C17 C16 117.1(9) . . ?
C18 C17 H17 121.4 . . ?
C16 C17 H17 121.4 . . ?
C19 C18 C17 121.0(8) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C18 C19 C24 123.2(8) . . ?
C18 C19 C20 119.0(7) . . ?
C24 C19 C20 117.7(9) . . ?
N4 C20 C21 119.6(7) . . ?
N4 C20 C19 120.1(8) . . ?
C21 C20 C19 120.1(7) . . ?
C22 C21 C20 117.8(8) . . ?
C22 C21 H21 121.1 . . ?
C20 C21 H21 121.1 . . ?
C23 C22 C21 122.4(10) . . ?
C23 C22 H22 118.8 . . ?
C21 C22 H22 118.8 . . ?
C24 C23 C22 121.2(8) . . ?
C24 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
C23 C24 C19 120.6(9) . . ?
C23 C24 H24 119.7 . . ?
C19 C24 H24 119.7 . . ?
N5 C25 C26 124.0(7) . . ?
N5 C25 C16 114.1(7) . . ?
C26 C25 C16 121.8(7) . . ?
C27 C26 C25 121.0(8) . . ?
C27 C26 H26 119.5 . . ?
C25 C26 H26 119.5 . . ?
C26 C27 C28 117.9(9) . . ?
C26 C27 H27 121.0 . . ?
C28 C27 H27 121.0 . . ?
C29 C28 C27 119.9(8) . . ?
C29 C28 C33 118.9(8) . . ?
C27 C28 C33 121.2(9) . . ?
C28 C29 C30 120.3(7) . . ?
C28 C29 N5 120.8(7) . . ?
C30 C29 N5 118.9(7) . . ?
C31 C30 C29 119.0(9) . . ?
C31 C30 H30 120.5 . . ?
C29 C30 H30 120.5 . . ?
C30 C31 C32 121.2(9) . . ?
C30 C31 H31 119.4 . . ?
C32 C31 H31 119.4 . . ?
C33 C32 C31 118.8(8) . . ?
C33 C32 H32 120.6 . . ?
C31 C32 H32 120.6 . . ?
C32 C33 C28 121.8(9) . . ?
C32 C33 H33 119.1 . . ?
C28 C33 H33 119.1 . . ?
N6 C34 C35 176.8(9) . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
Cl2 C36 Cl1 113.8(7) . . ?
Cl2 C36 H36A 108.8 . . ?
Cl1 C36 H36A 108.8 . . ?
Cl2 C36 H36B 108.8 . . ?
Cl1 C36 H36B 108.8 . . ?
H36A C36 H36B 107.7 . . ?

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
N2 Ru1 N1 C1 -175.4(8) . . . . ?
N6 Ru1 N1 C1 100.3(7) . . . . ?
N3 Ru1 N1 C1 -177.0(7) . . . . ?
N5 Ru1 N1 C1 -75.8(7) . . . . ?
N4 Ru1 N1 C1 3.1(8) . . . . ?
N2 Ru1 N1 C5 4.4(5) . . . . ?
N6 Ru1 N1 C5 -79.9(5) . . . . ?
N3 Ru1 N1 C5 2.9(10) . . . . ?
N5 Ru1 N1 C5 104.1(5) . . . . ?
N4 Ru1 N1 C5 -177.1(5) . . . . ?
N6 Ru1 N2 C6 88.8(6) . . . . ?
N1 Ru1 N2 C6 -5.0(6) . . . . ?
N3 Ru1 N2 C6 174.4(6) . . . . ?
N5 Ru1 N2 C6 -101.4(6) . . . . ?
N4 Ru1 N2 C6 -149(6) . . . . ?
N6 Ru1 N2 C10 -87.7(6) . . . . ?
N1 Ru1 N2 C10 178.5(6) . . . . ?
N3 Ru1 N2 C10 -2.0(6) . . . . ?
N5 Ru1 N2 C10 82.1(6) . . . . ?
N4 Ru1 N2 C10 35(6) . . . . ?
N2 Ru1 N3 C15 -173.5(7) . . . . ?
N6 Ru1 N3 C15 -87.8(7) . . . . ?
N1 Ru1 N3 C15 -172.0(7) . . . . ?
N5 Ru1 N3 C15 84.6(7) . . . . ?
N4 Ru1 N3 C15 7.9(7) . . . . ?
N2 Ru1 N3 C11 2.1(5) . . . . ?
N6 Ru1 N3 C11 87.9(5) . . . . ?
N1 Ru1 N3 C11 3.6(10) . . . . ?
N5 Ru1 N3 C11 -99.8(6) . . . . ?
N4 Ru1 N3 C11 -176.4(5) . . . . ?
N2 Ru1 N4 C16 25(6) . . . . ?
N6 Ru1 N4 C16 147.6(5) . . . . ?
N1 Ru1 N4 C16 -118.1(5) . . . . ?
N3 Ru1 N4 C16 61.9(5) . . . . ?
N5 Ru1 N4 C16 -22.3(5) . . . . ?
N2 Ru1 N4 C20 -146(6) . . . . ?
N6 Ru1 N4 C20 -24.0(6) . . . . ?
N1 Ru1 N4 C20 70.3(6) . . . . ?
N3 Ru1 N4 C20 -109.7(6) . . . . ?
N5 Ru1 N4 C20 166.1(6) . . . . ?
N2 Ru1 N5 C25 -152.9(5) . . . . ?
N6 Ru1 N5 C25 -33.2(14) . . . . ?
N1 Ru1 N5 C25 126.8(5) . . . . ?
N3 Ru1 N5 C25 -74.2(5) . . . . ?
N4 Ru1 N5 C25 25.2(5) . . . . ?
N2 Ru1 N5 C29 12.2(7) . . . . ?
N6 Ru1 N5 C29 131.9(11) . . . . ?
N1 Ru1 N5 C29 -68.0(6) . . . . ?
N3 Ru1 N5 C29 91.0(6) . . . . ?
N4 Ru1 N5 C29 -169.6(7) . . . . ?
N2 Ru1 N6 C34 95(3) . . . . ?
N1 Ru1 N6 C34 174(3) . . . . ?
N3 Ru1 N6 C34 15(3) . . . . ?
N5 Ru1 N6 C34 -26(4) . . . . ?
N4 Ru1 N6 C34 -83(3) . . . . ?
C5 N1 C1 C2 1.5(13) . . . . ?
Ru1 N1 C1 C2 -178.7(7) . . . . ?
N1 C1 C2 C3 -1.2(15) . . . . ?
C1 C2 C3 C4 -0.6(15) . . . . ?
C2 C3 C4 C5 1.9(15) . . . . ?
C1 N1 C5 C4 -0.1(12) . . . . ?
Ru1 N1 C5 C4 -180.0(6) . . . . ?
C1 N1 C5 C6 176.5(7) . . . . ?
Ru1 N1 C5 C6 -3.3(9) . . . . ?
C3 C4 C5 N1 -1.5(13) . . . . ?
C3 C4 C5 C6 -177.9(8) . . . . ?
C10 N2 C6 C7 -1.6(12) . . . . ?
Ru1 N2 C6 C7 -178.0(6) . . . . ?
C10 N2 C6 C5 -179.1(7) . . . . ?
Ru1 N2 C6 C5 4.6(9) . . . . ?
N1 C5 C6 N2 -0.6(10) . . . . ?
C4 C5 C6 N2 176.0(8) . . . . ?
N1 C5 C6 C7 -177.6(8) . . . . ?
C4 C5 C6 C7 -1.1(14) . . . . ?
N2 C6 C7 C8 0.4(13) . . . . ?
C5 C6 C7 C8 177.4(9) . . . . ?
C6 C7 C8 C9 0.5(15) . . . . ?
C7 C8 C9 C10 -0.2(15) . . . . ?
C6 N2 C10 C9 1.9(12) . . . . ?
Ru1 N2 C10 C9 178.3(6) . . . . ?
C6 N2 C10 C11 -174.8(7) . . . . ?
Ru1 N2 C10 C11 1.6(9) . . . . ?
C8 C9 C10 N2 -1.0(13) . . . . ?
C8 C9 C10 C11 175.3(9) . . . . ?
C15 N3 C11 C12 -3.6(12) . . . . ?
Ru1 N3 C11 C12 -179.8(7) . . . . ?
C15 N3 C11 C10 174.2(7) . . . . ?
Ru1 N3 C11 C10 -1.9(9) . . . . ?
N2 C10 C11 C12 178.1(8) . . . . ?
C9 C10 C11 C12 1.6(14) . . . . ?
N2 C10 C11 N3 0.3(10) . . . . ?
C9 C10 C11 N3 -176.1(8) . . . . ?
N3 C11 C12 C13 -0.7(14) . . . . ?
C10 C11 C12 C13 -178.4(8) . . . . ?
C11 C12 C13 C14 4.0(15) . . . . ?
C12 C13 C14 C15 -2.9(14) . . . . ?
C11 N3 C15 C14 4.9(12) . . . . ?
Ru1 N3 C15 C14 -179.6(6) . . . . ?
C13 C14 C15 N3 -1.7(14) . . . . ?
C20 N4 C16 C17 7.5(11) . . . . ?
Ru1 N4 C16 C17 -165.1(7) . . . . ?
C20 N4 C16 C25 -171.0(7) . . . . ?
Ru1 N4 C16 C25 16.4(8) . . . . ?
N4 C16 C17 C18 -2.5(13) . . . . ?
C25 C16 C17 C18 176.0(8) . . . . ?
C16 C17 C18 C19 -4.4(14) . . . . ?
C17 C18 C19 C24 -174.0(9) . . . . ?
C17 C18 C19 C20 5.8(13) . . . . ?
C16 N4 C20 C21 168.8(7) . . . . ?
Ru1 N4 C20 C21 -20.0(10) . . . . ?
C16 N4 C20 C19 -5.7(10) . . . . ?
Ru1 N4 C20 C19 165.5(6) . . . . ?
C18 C19 C20 N4 -0.7(12) . . . . ?
C24 C19 C20 N4 179.2(7) . . . . ?
C18 C19 C20 C21 -175.2(8) . . . . ?
C24 C19 C20 C21 4.7(12) . . . . ?
N4 C20 C21 C22 -176.9(7) . . . . ?
C19 C20 C21 C22 -2.4(12) . . . . ?
C20 C21 C22 C23 0.0(13) . . . . ?
C21 C22 C23 C24 -0.1(15) . . . . ?
C22 C23 C24 C19 2.5(15) . . . . ?
C18 C19 C24 C23 175.1(9) . . . . ?
C20 C19 C24 C23 -4.7(14) . . . . ?
C29 N5 C25 C26 -6.6(11) . . . . ?
Ru1 N5 C25 C26 160.8(7) . . . . ?
C29 N5 C25 C16 168.6(6) . . . . ?
Ru1 N5 C25 C16 -24.1(8) . . . . ?
N4 C16 C25 N5 5.1(10) . . . . ?
C17 C16 C25 N5 -173.4(7) . . . . ?
N4 C16 C25 C26 -179.6(7) . . . . ?
C17 C16 C25 C26 1.9(12) . . . . ?
N5 C25 C26 C27 1.8(14) . . . . ?
C16 C25 C26 C27 -173.0(9) . . . . ?
C25 C26 C27 C28 2.5(14) . . . . ?
C26 C27 C28 C29 -1.7(14) . . . . ?
C26 C27 C28 C33 175.8(9) . . . . ?
C27 C28 C29 C30 177.0(8) . . . . ?
C33 C28 C29 C30 -0.5(12) . . . . ?
C27 C28 C29 N5 -3.3(12) . . . . ?
C33 C28 C29 N5 179.2(8) . . . . ?
C25 N5 C29 C28 7.2(10) . . . . ?
Ru1 N5 C29 C28 -157.5(6) . . . . ?
C25 N5 C29 C30 -173.1(7) . . . . ?
Ru1 N5 C29 C30 22.2(10) . . . . ?
C28 C29 C30 C31 0.2(13) . . . . ?
N5 C29 C30 C31 -179.5(8) . . . . ?
C29 C30 C31 C32 0.6(14) . . . . ?
C30 C31 C32 C33 -1.1(15) . . . . ?
C31 C32 C33 C28 0.8(16) . . . . ?
C29 C28 C33 C32 0.0(14) . . . . ?
C27 C28 C33 C32 -177.5(10) . . . . ?
Ru1 N6 C34 C35 13(18) . . . . ?

_diffrn_measured_fraction_theta_max 0.979
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.979
_refine_diff_density_max         2.097
_refine_diff_density_min         -2.021
_refine_diff_density_rms         0.165
####################################################################### 
# 
# 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_190720c
_database_code_depnum_ccdc_archive 'CCDC 1942074'
loop_
_audit_author_name
_audit_author_address
dengli
;qingdao institute of bioenergy and bioprocess technology, cas
China
;
_audit_update_record             
;
2019-07-22 deposited with the CCDC.	2020-03-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H31 F6 N5 O2 P Ru'
_chemical_formula_weight         823.71

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'

_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                   11.1590(11)
_cell_length_b                   12.3059(12)
_cell_length_c                   14.8631(13)
_cell_angle_alpha                67.8750(10)
_cell_angle_beta                 68.0450(10)
_cell_angle_gamma                86.116(3)
_cell_volume                     1747.3(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    1916
_cell_measurement_theta_min      2.779
_cell_measurement_theta_max      20.616

_exptl_crystal_description       rod
_exptl_crystal_colour            purple
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.04
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             834
_exptl_absorpt_coefficient_mu    0.569
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8480
_exptl_absorpt_correction_T_max  0.9776
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8928
_diffrn_reflns_av_R_equivalents  0.0941
_diffrn_reflns_av_sigmaI/netI    0.1115
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.39
_diffrn_reflns_theta_max         25.02
_reflns_number_total             6060
_reflns_number_gt                3654
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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)+(0.0958P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6060
_refine_ls_number_parameters     483
_refine_ls_number_restraints     146
_refine_ls_R_factor_all          0.1327
_refine_ls_R_factor_gt           0.0942
_refine_ls_wR_factor_ref         0.2370
_refine_ls_wR_factor_gt          0.2165
_refine_ls_goodness_of_fit_ref   1.136
_refine_ls_restrained_S_all      1.143
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.82713(6) 0.08538(6) 0.26561(6) 0.0602(3) Uani 1 1 d . . .
P1 P 0.4174(3) 0.6766(2) 0.1272(2) 0.0735(7) Uani 1 1 d U . .
F1 F 0.5003(7) 0.6272(6) 0.1978(5) 0.125(2) Uani 1 1 d U A .
F2 F 0.3355(6) 0.7259(6) 0.0559(5) 0.125(2) Uani 1 1 d U A .
F3 F 0.548(2) 0.6909(14) 0.0249(16) 0.118(4) Uani 0.603(11) 1 d PU A 1
F4 F 0.4410(14) 0.8080(11) 0.1139(13) 0.112(3) Uani 0.603(11) 1 d PU A 1
F5 F 0.2963(17) 0.6604(15) 0.2238(14) 0.128(4) Uani 0.603(11) 1 d PU A 1
F6 F 0.4017(14) 0.5433(12) 0.1443(12) 0.111(3) Uani 0.603(11) 1 d PU A 1
F3' F 0.545(3) 0.737(2) 0.035(3) 0.118(4) Uani 0.397(11) 1 d P A 2
F4' F 0.380(2) 0.7691(18) 0.183(2) 0.112(3) Uani 0.397(11) 1 d P A 2
F5' F 0.281(3) 0.601(2) 0.222(2) 0.128(4) Uani 0.397(11) 1 d P A 2
F6' F 0.434(2) 0.5755(19) 0.0824(18) 0.111(3) Uani 0.397(11) 1 d P A 2
N1 N 0.9754(6) 0.0570(6) 0.1430(6) 0.0562(16) Uani 1 1 d . . .
N2 N 0.8670(6) -0.0869(6) 0.3392(5) 0.0597(17) Uani 1 1 d . . .
N3 N 0.9751(6) 0.1762(6) 0.2692(6) 0.0654(18) Uani 1 1 d . . .
N4 N 0.7989(7) 0.2490(6) 0.1907(5) 0.0610(17) Uani 1 1 d . . .
N5 N 0.6650(7) 0.0568(7) 0.2381(5) 0.0671(18) Uani 1 1 d . . .
O1 O 0.6970(6) 0.1143(5) 0.3950(5) 0.0731(16) Uani 1 1 d . . .
O2 O 0.8041(10) 0.0483(9) 0.5042(7) 0.133(3) Uani 1 1 d . . .
C1 C 1.0510(8) -0.0242(8) 0.1789(8) 0.066(2) Uani 1 1 d . . .
C2 C 1.1824(9) -0.0243(9) 0.1159(9) 0.078(3) Uani 1 1 d . . .
H2 H 1.2330 -0.0813 0.1419 0.093 Uiso 1 1 calc R . .
C3 C 1.2345(9) 0.0591(10) 0.0176(10) 0.083(3) Uani 1 1 d . . .
H3 H 1.3230 0.0641 -0.0210 0.100 Uiso 1 1 calc R . .
C4 C 1.1563(9) 0.1372(9) -0.0260(9) 0.078(3) Uani 1 1 d . . .
C5 C 1.0228(8) 0.1308(8) 0.0381(7) 0.065(2) Uani 1 1 d . . .
C6 C 0.9389(9) 0.1971(8) -0.0091(7) 0.068(2) Uani 1 1 d . . .
H6 H 0.8507 0.1905 0.0309 0.082 Uiso 1 1 calc R . .
C7 C 0.9840(10) 0.2699(9) -0.1113(8) 0.079(3) Uani 1 1 d . . .
H7 H 0.9263 0.3107 -0.1411 0.094 Uiso 1 1 calc R . .
C8 C 1.1197(12) 0.2850(10) -0.1743(9) 0.095(3) Uani 1 1 d . . .
H8 H 1.1516 0.3384 -0.2435 0.114 Uiso 1 1 calc R . .
C9 C 1.2012(10) 0.2184(9) -0.1298(10) 0.087(3) Uani 1 1 d . . .
H9 H 1.2895 0.2275 -0.1700 0.104 Uiso 1 1 calc R . .
C10 C 0.9878(9) -0.1094(8) 0.2841(8) 0.071(2) Uani 1 1 d . . .
C11 C 1.0393(10) -0.2169(9) 0.3272(10) 0.085(3) Uani 1 1 d . . .
H11 H 1.1226 -0.2306 0.2898 0.102 Uiso 1 1 calc R . .
C12 C 0.9700(12) -0.2983(9) 0.4204(10) 0.087(3) Uani 1 1 d . . .
H12 H 1.0075 -0.3651 0.4501 0.105 Uiso 1 1 calc R . .
C13 C 0.8388(11) -0.2827(8) 0.4742(9) 0.080(3) Uani 1 1 d . . .
C14 C 0.7915(8) -0.1741(7) 0.4313(7) 0.063(2) Uani 1 1 d . . .
C15 C 0.6607(9) -0.1571(8) 0.4849(8) 0.071(2) Uani 1 1 d . . .
H15 H 0.6281 -0.0856 0.4583 0.085 Uiso 1 1 calc R . .
C16 C 0.5829(10) -0.2426(9) 0.5736(8) 0.081(3) Uani 1 1 d . . .
H16 H 0.4978 -0.2291 0.6068 0.097 Uiso 1 1 calc R . .
C17 C 0.6281(12) -0.3508(10) 0.6161(9) 0.089(3) Uani 1 1 d . . .
H17 H 0.5734 -0.4099 0.6765 0.107 Uiso 1 1 calc R . .
C18 C 0.7532(13) -0.3685(9) 0.5678(9) 0.091(3) Uani 1 1 d . . .
H18 H 0.7840 -0.4400 0.5975 0.110 Uiso 1 1 calc R . .
C19 C 1.0635(8) 0.1343(9) 0.3133(8) 0.075(3) Uani 1 1 d . . .
H19 H 1.0565 0.0544 0.3537 0.090 Uiso 1 1 calc R . .
C20 C 1.1639(10) 0.2057(10) 0.3005(8) 0.087(3) Uani 1 1 d . . .
H20 H 1.2220 0.1740 0.3331 0.104 Uiso 1 1 calc R . .
C21 C 1.1776(11) 0.3234(10) 0.2398(10) 0.098(3) Uani 1 1 d . . .
H21 H 1.2462 0.3717 0.2291 0.117 Uiso 1 1 calc R . .
C22 C 1.0878(10) 0.3694(9) 0.1945(9) 0.088(3) Uani 1 1 d . . .
H22 H 1.0953 0.4491 0.1532 0.106 Uiso 1 1 calc R . .
C23 C 0.9859(8) 0.2951(7) 0.2112(7) 0.066(2) Uani 1 1 d . . .
C24 C 0.8823(9) 0.3361(7) 0.1716(7) 0.069(2) Uani 1 1 d . . .
C25 C 0.8591(11) 0.4537(9) 0.1225(8) 0.087(3) Uani 1 1 d . . .
H25 H 0.9166 0.5156 0.1066 0.105 Uiso 1 1 calc R . .
C26 C 0.7488(12) 0.4751(10) 0.0986(8) 0.090(3) Uani 1 1 d . . .
H26 H 0.7324 0.5521 0.0657 0.108 Uiso 1 1 calc R . .
C27 C 0.6642(11) 0.3838(11) 0.1231(8) 0.092(3) Uani 1 1 d . . .
H27 H 0.5897 0.3991 0.1079 0.110 Uiso 1 1 calc R . .
C28 C 0.6883(9) 0.2701(8) 0.1697(7) 0.070(2) Uani 1 1 d . . .
C29 C 0.6138(8) 0.1603(9) 0.1971(7) 0.074(3) Uani 1 1 d . . .
C30 C 0.4984(10) 0.1588(11) 0.1803(8) 0.091(3) Uani 1 1 d . . .
H30 H 0.4617 0.2282 0.1548 0.110 Uiso 1 1 calc R . .
C31 C 0.4399(11) 0.0482(13) 0.2036(9) 0.105(4) Uani 1 1 d . . .
H31 H 0.3654 0.0444 0.1904 0.126 Uiso 1 1 calc R . .
C32 C 0.4901(10) -0.0497(11) 0.2439(8) 0.090(3) Uani 1 1 d . . .
H32 H 0.4491 -0.1220 0.2608 0.108 Uiso 1 1 calc R . .
C33 C 0.6028(9) -0.0463(9) 0.2613(7) 0.077(3) Uani 1 1 d . . .
H33 H 0.6365 -0.1165 0.2896 0.092 Uiso 1 1 calc R . .
C34 C 0.7158(12) 0.0969(10) 0.4787(9) 0.099(4) Uani 1 1 d . . .
H34 H 0.6551 0.1245 0.5262 0.119 Uiso 1 1 calc R . .
C35 C 0.5609(17) 0.5013(18) 0.4684(19) 0.197(8) Uani 1 1 d DU . .
H35A H 0.6084 0.5712 0.4576 0.236 Uiso 1 1 calc R . .
H35B H 0.5614 0.5089 0.4009 0.236 Uiso 1 1 calc R . .
C36 C 0.633(2) 0.3952(16) 0.5063(19) 0.216(8) Uani 1 1 d DU . .
H36A H 0.5841 0.3257 0.5173 0.259 Uiso 1 1 calc R . .
H36B H 0.6308 0.3878 0.5742 0.259 Uiso 1 1 calc R . .
C37 C 0.774(2) 0.393(2) 0.437(2) 0.257(9) Uani 1 1 d DU . .
H37A H 0.7770 0.3490 0.3947 0.385 Uiso 1 1 calc R . .
H37B H 0.8228 0.3571 0.4799 0.385 Uiso 1 1 calc R . .
H37C H 0.8106 0.4724 0.3916 0.385 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 N4 1.971(6) . ?
Ru1 O1 2.072(6) . ?
Ru1 N5 2.077(7) . ?
Ru1 N1 2.080(6) . ?
Ru1 N3 2.083(6) . ?
Ru1 N2 2.093(6) . ?
P1 F5 1.516(17) . ?
P1 F3' 1.54(3) . ?
P1 F6 1.574(14) . ?
P1 F2 1.578(6) . ?
P1 F1 1.581(6) . ?
P1 F4 1.582(12) . ?
P1 F6' 1.59(2) . ?
P1 F4' 1.601(19) . ?
P1 F3 1.62(2) . ?
P1 F5' 1.66(3) . ?
N1 C1 1.348(10) . ?
N1 C5 1.385(10) . ?
N2 C10 1.364(11) . ?
N2 C14 1.374(10) . ?
N3 C19 1.352(9) . ?
N3 C23 1.377(10) . ?
N4 C24 1.342(10) . ?
N4 C28 1.368(10) . ?
N5 C33 1.350(11) . ?
N5 C29 1.377(11) . ?
O1 C34 1.275(11) . ?
O2 C34 1.225(12) . ?
C1 C2 1.414(12) . ?
C1 C10 1.443(13) . ?
C2 C3 1.358(13) . ?
C2 H2 0.9300 . ?
C3 C4 1.395(13) . ?
C3 H3 0.9300 . ?
C4 C9 1.399(14) . ?
C4 C5 1.425(12) . ?
C5 C6 1.411(12) . ?
C6 C7 1.352(12) . ?
C6 H6 0.9300 . ?
C7 C8 1.432(14) . ?
C7 H7 0.9300 . ?
C8 C9 1.370(14) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 C11 1.422(12) . ?
C11 C12 1.334(14) . ?
C11 H11 0.9300 . ?
C12 C13 1.423(14) . ?
C12 H12 0.9300 . ?
C13 C14 1.409(12) . ?
C13 C18 1.414(14) . ?
C14 C15 1.423(12) . ?
C15 C16 1.349(13) . ?
C15 H15 0.9300 . ?
C16 C17 1.393(13) . ?
C16 H16 0.9300 . ?
C17 C18 1.357(15) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C20 1.384(12) . ?
C19 H19 0.9300 . ?
C20 C21 1.370(14) . ?
C20 H20 0.9300 . ?
C21 C22 1.386(13) . ?
C21 H21 0.9300 . ?
C22 C23 1.395(12) . ?
C22 H22 0.9300 . ?
C23 C24 1.465(11) . ?
C24 C25 1.410(12) . ?
C25 C26 1.388(14) . ?
C25 H25 0.9300 . ?
C26 C27 1.365(15) . ?
C26 H26 0.9300 . ?
C27 C28 1.367(13) . ?
C27 H27 0.9300 . ?
C28 C29 1.473(13) . ?
C29 C30 1.402(12) . ?
C30 C31 1.413(15) . ?
C30 H30 0.9300 . ?
C31 C32 1.319(15) . ?
C31 H31 0.9300 . ?
C32 C33 1.381(12) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C35 1.33(4) 2_666 ?
C35 C36 1.518(10) . ?
C35 H35A 0.9700 . ?
C35 H35B 0.9700 . ?
C36 C37 1.535(10) . ?
C36 H36A 0.9700 . ?
C36 H36B 0.9700 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 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
N4 Ru1 O1 82.8(3) . . ?
N4 Ru1 N5 79.9(3) . . ?
O1 Ru1 N5 85.8(3) . . ?
N4 Ru1 N1 99.4(3) . . ?
O1 Ru1 N1 172.8(2) . . ?
N5 Ru1 N1 101.3(3) . . ?
N4 Ru1 N3 79.5(3) . . ?
O1 Ru1 N3 89.9(3) . . ?
N5 Ru1 N3 159.3(3) . . ?
N1 Ru1 N3 83.8(3) . . ?
N4 Ru1 N2 177.0(3) . . ?
O1 Ru1 N2 99.8(2) . . ?
N5 Ru1 N2 101.7(3) . . ?
N1 Ru1 N2 77.8(3) . . ?
N3 Ru1 N2 99.0(3) . . ?
F5 P1 F3' 157.8(12) . . ?
F5 P1 F6 91.1(7) . . ?
F3' P1 F6 110.5(11) . . ?
F5 P1 F2 90.0(8) . . ?
F3' P1 F2 92.3(14) . . ?
F6 P1 F2 97.4(6) . . ?
F5 P1 F1 90.4(8) . . ?
F3' P1 F1 87.3(14) . . ?
F6 P1 F1 82.6(6) . . ?
F2 P1 F1 179.6(4) . . ?
F5 P1 F4 89.6(7) . . ?
F3' P1 F4 68.5(11) . . ?
F6 P1 F4 175.7(7) . . ?
F2 P1 F4 86.9(5) . . ?
F1 P1 F4 93.1(5) . . ?
F5 P1 F6' 115.3(10) . . ?
F3' P1 F6' 86.9(13) . . ?
F6 P1 F6' 29.1(7) . . ?
F2 P1 F6' 81.5(8) . . ?
F1 P1 F6' 98.3(9) . . ?
F4 P1 F6' 152.4(8) . . ?
F5 P1 F4' 56.4(9) . . ?
F3' P1 F4' 101.4(13) . . ?
F6 P1 F4' 144.5(9) . . ?
F2 P1 F4' 96.6(7) . . ?
F1 P1 F4' 83.6(7) . . ?
F4 P1 F4' 34.8(7) . . ?
F6' P1 F4' 171.6(10) . . ?
F5 P1 F3 178.7(8) . . ?
F3' P1 F3 23.2(13) . . ?
F6 P1 F3 87.8(7) . . ?
F2 P1 F3 90.8(9) . . ?
F1 P1 F3 88.8(9) . . ?
F4 P1 F3 91.5(7) . . ?
F6' P1 F3 63.8(9) . . ?
F4' P1 F3 124.5(10) . . ?
F5 P1 F5' 27.6(11) . . ?
F3' P1 F5' 174.6(14) . . ?
F6 P1 F5' 64.4(10) . . ?
F2 P1 F5' 86.9(11) . . ?
F1 P1 F5' 93.5(11) . . ?
F4 P1 F5' 116.8(10) . . ?
F6' P1 F5' 87.7(12) . . ?
F4' P1 F5' 84.1(11) . . ?
F3 P1 F5' 151.4(11) . . ?
C1 N1 C5 118.6(7) . . ?
C1 N1 Ru1 111.2(6) . . ?
C5 N1 Ru1 127.3(5) . . ?
C10 N2 C14 118.9(7) . . ?
C10 N2 Ru1 111.4(6) . . ?
C14 N2 Ru1 129.7(5) . . ?
C19 N3 C23 117.7(7) . . ?
C19 N3 Ru1 129.6(6) . . ?
C23 N3 Ru1 112.6(5) . . ?
C24 N4 C28 122.5(7) . . ?
C24 N4 Ru1 118.6(5) . . ?
C28 N4 Ru1 118.6(6) . . ?
C33 N5 C29 118.9(8) . . ?
C33 N5 Ru1 128.8(6) . . ?
C29 N5 Ru1 112.1(6) . . ?
C34 O1 Ru1 125.3(7) . . ?
N1 C1 C2 121.2(9) . . ?
N1 C1 C10 115.2(8) . . ?
C2 C1 C10 123.5(9) . . ?
C3 C2 C1 119.9(9) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C2 C3 C4 120.4(9) . . ?
C2 C3 H3 119.8 . . ?
C4 C3 H3 119.8 . . ?
C3 C4 C9 123.4(10) . . ?
C3 C4 C5 117.9(10) . . ?
C9 C4 C5 118.7(10) . . ?
N1 C5 C6 120.7(8) . . ?
N1 C5 C4 120.8(9) . . ?
C6 C5 C4 118.4(9) . . ?
C7 C6 C5 121.3(9) . . ?
C7 C6 H6 119.3 . . ?
C5 C6 H6 119.3 . . ?
C6 C7 C8 120.8(10) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 H7 119.6 . . ?
C9 C8 C7 118.1(10) . . ?
C9 C8 H8 120.9 . . ?
C7 C8 H8 120.9 . . ?
C8 C9 C4 122.3(10) . . ?
C8 C9 H9 118.8 . . ?
C4 C9 H9 118.8 . . ?
N2 C10 C11 120.1(9) . . ?
N2 C10 C1 115.9(7) . . ?
C11 C10 C1 123.8(9) . . ?
C12 C11 C10 121.1(10) . . ?
C12 C11 H11 119.4 . . ?
C10 C11 H11 119.4 . . ?
C11 C12 C13 119.9(9) . . ?
C11 C12 H12 120.1 . . ?
C13 C12 H12 120.1 . . ?
C14 C13 C18 118.1(10) . . ?
C14 C13 C12 117.6(10) . . ?
C18 C13 C12 124.4(10) . . ?
N2 C14 C13 121.9(8) . . ?
N2 C14 C15 120.0(8) . . ?
C13 C14 C15 118.1(9) . . ?
C16 C15 C14 121.3(9) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C15 C16 C17 121.1(10) . . ?
C15 C16 H16 119.4 . . ?
C17 C16 H16 119.4 . . ?
C18 C17 C16 118.8(10) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C17 C18 C13 122.6(10) . . ?
C17 C18 H18 118.7 . . ?
C13 C18 H18 118.7 . . ?
N3 C19 C20 122.5(9) . . ?
N3 C19 H19 118.7 . . ?
C20 C19 H19 118.7 . . ?
C21 C20 C19 119.8(9) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C20 C21 C22 119.1(9) . . ?
C20 C21 H21 120.4 . . ?
C22 C21 H21 120.4 . . ?
C21 C22 C23 119.4(10) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 H22 120.3 . . ?
N3 C23 C22 121.4(8) . . ?
N3 C23 C24 115.0(7) . . ?
C22 C23 C24 123.6(8) . . ?
N4 C24 C25 118.9(8) . . ?
N4 C24 C23 113.9(7) . . ?
C25 C24 C23 127.2(9) . . ?
C26 C25 C24 118.6(10) . . ?
C26 C25 H25 120.7 . . ?
C24 C25 H25 120.7 . . ?
C27 C26 C25 120.4(10) . . ?
C27 C26 H26 119.8 . . ?
C25 C26 H26 119.8 . . ?
C26 C27 C28 120.5(9) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C27 C28 N4 119.0(9) . . ?
C27 C28 C29 128.8(9) . . ?
N4 C28 C29 112.0(7) . . ?
N5 C29 C30 120.7(9) . . ?
N5 C29 C28 116.5(7) . . ?
C30 C29 C28 122.8(9) . . ?
C29 C30 C31 117.6(10) . . ?
C29 C30 H30 121.2 . . ?
C31 C30 H30 121.2 . . ?
C32 C31 C30 120.5(9) . . ?
C32 C31 H31 119.8 . . ?
C30 C31 H31 119.8 . . ?
C31 C32 C33 120.9(10) . . ?
C31 C32 H32 119.5 . . ?
C33 C32 H32 119.5 . . ?
N5 C33 C32 121.3(9) . . ?
N5 C33 H33 119.3 . . ?
C32 C33 H33 119.3 . . ?
O2 C34 O1 128.0(11) . . ?
O2 C34 H34 116.0 . . ?
O1 C34 H34 116.0 . . ?
C35 C35 C36 116(3) 2_666 . ?
C35 C35 H35A 108.4 2_666 . ?
C36 C35 H35A 108.4 . . ?
C35 C35 H35B 108.4 2_666 . ?
C36 C35 H35B 108.4 . . ?
H35A C35 H35B 107.4 . . ?
C35 C36 C37 118(2) . . ?
C35 C36 H36A 107.8 . . ?
C37 C36 H36A 107.8 . . ?
C35 C36 H36B 107.8 . . ?
C37 C36 H36B 107.8 . . ?
H36A C36 H36B 107.1 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Ru1 N1 C1 152.7(5) . . . . ?
O1 Ru1 N1 C1 45(2) . . . . ?
N5 Ru1 N1 C1 -125.9(5) . . . . ?
N3 Ru1 N1 C1 74.5(5) . . . . ?
N2 Ru1 N1 C1 -26.1(5) . . . . ?
N4 Ru1 N1 C5 -7.5(6) . . . . ?
O1 Ru1 N1 C5 -114.8(18) . . . . ?
N5 Ru1 N1 C5 74.0(6) . . . . ?
N3 Ru1 N1 C5 -85.7(6) . . . . ?
N2 Ru1 N1 C5 173.7(6) . . . . ?
N4 Ru1 N2 C10 -3(5) . . . . ?
O1 Ru1 N2 C10 -152.2(5) . . . . ?
N5 Ru1 N2 C10 120.1(5) . . . . ?
N1 Ru1 N2 C10 20.9(5) . . . . ?
N3 Ru1 N2 C10 -60.7(6) . . . . ?
N4 Ru1 N2 C14 176(4) . . . . ?
O1 Ru1 N2 C14 26.9(7) . . . . ?
N5 Ru1 N2 C14 -60.8(7) . . . . ?
N1 Ru1 N2 C14 -160.0(7) . . . . ?
N3 Ru1 N2 C14 118.4(6) . . . . ?
N4 Ru1 N3 C19 178.4(8) . . . . ?
O1 Ru1 N3 C19 95.8(7) . . . . ?
N5 Ru1 N3 C19 173.4(7) . . . . ?
N1 Ru1 N3 C19 -80.8(7) . . . . ?
N2 Ru1 N3 C19 -4.2(8) . . . . ?
N4 Ru1 N3 C23 -6.4(6) . . . . ?
O1 Ru1 N3 C23 -89.0(6) . . . . ?
N5 Ru1 N3 C23 -11.3(11) . . . . ?
N1 Ru1 N3 C23 94.5(6) . . . . ?
N2 Ru1 N3 C23 171.0(6) . . . . ?
O1 Ru1 N4 C24 94.9(6) . . . . ?
N5 Ru1 N4 C24 -178.1(7) . . . . ?
N1 Ru1 N4 C24 -78.2(6) . . . . ?
N3 Ru1 N4 C24 3.6(6) . . . . ?
N2 Ru1 N4 C24 -55(5) . . . . ?
O1 Ru1 N4 C28 -78.7(6) . . . . ?
N5 Ru1 N4 C28 8.3(6) . . . . ?
N1 Ru1 N4 C28 108.2(6) . . . . ?
N3 Ru1 N4 C28 -169.9(6) . . . . ?
N2 Ru1 N4 C28 132(5) . . . . ?
N4 Ru1 N5 C33 177.1(8) . . . . ?
O1 Ru1 N5 C33 -99.6(8) . . . . ?
N1 Ru1 N5 C33 79.4(8) . . . . ?
N3 Ru1 N5 C33 -178.0(8) . . . . ?
N2 Ru1 N5 C33 -0.4(8) . . . . ?
N4 Ru1 N5 C29 -7.7(6) . . . . ?
O1 Ru1 N5 C29 75.6(6) . . . . ?
N1 Ru1 N5 C29 -105.4(6) . . . . ?
N3 Ru1 N5 C29 -2.8(11) . . . . ?
N2 Ru1 N5 C29 174.8(6) . . . . ?
N4 Ru1 O1 C34 -127.3(9) . . . . ?
N5 Ru1 O1 C34 152.4(9) . . . . ?
N1 Ru1 O1 C34 -19(2) . . . . ?
N3 Ru1 O1 C34 -47.9(9) . . . . ?
N2 Ru1 O1 C34 51.2(9) . . . . ?
C5 N1 C1 C2 9.0(11) . . . . ?
Ru1 N1 C1 C2 -153.1(7) . . . . ?
C5 N1 C1 C10 -170.6(7) . . . . ?
Ru1 N1 C1 C10 27.3(8) . . . . ?
N1 C1 C2 C3 0.4(13) . . . . ?
C10 C1 C2 C3 179.9(8) . . . . ?
C1 C2 C3 C4 -6.7(14) . . . . ?
C2 C3 C4 C9 -174.3(9) . . . . ?
C2 C3 C4 C5 3.6(13) . . . . ?
C1 N1 C5 C6 164.7(7) . . . . ?
Ru1 N1 C5 C6 -36.4(10) . . . . ?
C1 N1 C5 C4 -12.1(11) . . . . ?
Ru1 N1 C5 C4 146.8(6) . . . . ?
C3 C4 C5 N1 5.9(12) . . . . ?
C9 C4 C5 N1 -176.1(7) . . . . ?
C3 C4 C5 C6 -171.0(8) . . . . ?
C9 C4 C5 C6 7.0(12) . . . . ?
N1 C5 C6 C7 179.7(7) . . . . ?
C4 C5 C6 C7 -3.5(12) . . . . ?
C5 C6 C7 C8 -2.0(13) . . . . ?
C6 C7 C8 C9 3.8(14) . . . . ?
C7 C8 C9 C4 0.0(15) . . . . ?
C3 C4 C9 C8 172.5(9) . . . . ?
C5 C4 C9 C8 -5.4(14) . . . . ?
C14 N2 C10 C11 -6.6(11) . . . . ?
Ru1 N2 C10 C11 172.6(6) . . . . ?
C14 N2 C10 C1 167.7(7) . . . . ?
Ru1 N2 C10 C1 -13.1(8) . . . . ?
N1 C1 C10 N2 -9.5(10) . . . . ?
C2 C1 C10 N2 170.9(8) . . . . ?
N1 C1 C10 C11 164.6(8) . . . . ?
C2 C1 C10 C11 -15.0(13) . . . . ?
N2 C10 C11 C12 1.6(14) . . . . ?
C1 C10 C11 C12 -172.3(9) . . . . ?
C10 C11 C12 C13 5.3(15) . . . . ?
C11 C12 C13 C14 -7.0(14) . . . . ?
C11 C12 C13 C18 173.3(9) . . . . ?
C10 N2 C14 C13 4.8(11) . . . . ?
Ru1 N2 C14 C13 -174.2(6) . . . . ?
C10 N2 C14 C15 -173.8(7) . . . . ?
Ru1 N2 C14 C15 7.1(11) . . . . ?
C18 C13 C14 N2 -178.4(8) . . . . ?
C12 C13 C14 N2 1.9(12) . . . . ?
C18 C13 C14 C15 0.3(12) . . . . ?
C12 C13 C14 C15 -179.4(8) . . . . ?
N2 C14 C15 C16 177.8(8) . . . . ?
C13 C14 C15 C16 -0.9(12) . . . . ?
C14 C15 C16 C17 0.2(14) . . . . ?
C15 C16 C17 C18 1.3(15) . . . . ?
C16 C17 C18 C13 -2.0(15) . . . . ?
C14 C13 C18 C17 1.2(14) . . . . ?
C12 C13 C18 C17 -179.1(10) . . . . ?
C23 N3 C19 C20 -1.2(13) . . . . ?
Ru1 N3 C19 C20 173.8(7) . . . . ?
N3 C19 C20 C21 -1.2(15) . . . . ?
C19 C20 C21 C22 1.8(17) . . . . ?
C20 C21 C22 C23 -0.3(16) . . . . ?
C19 N3 C23 C22 2.8(12) . . . . ?
Ru1 N3 C23 C22 -173.0(7) . . . . ?
C19 N3 C23 C24 -176.1(7) . . . . ?
Ru1 N3 C23 C24 8.1(9) . . . . ?
C21 C22 C23 N3 -2.1(15) . . . . ?
C21 C22 C23 C24 176.7(9) . . . . ?
C28 N4 C24 C25 -3.7(13) . . . . ?
Ru1 N4 C24 C25 -176.9(7) . . . . ?
C28 N4 C24 C23 172.9(7) . . . . ?
Ru1 N4 C24 C23 -0.3(10) . . . . ?
N3 C23 C24 N4 -5.3(11) . . . . ?
C22 C23 C24 N4 175.8(8) . . . . ?
N3 C23 C24 C25 170.9(9) . . . . ?
C22 C23 C24 C25 -7.9(15) . . . . ?
N4 C24 C25 C26 1.8(14) . . . . ?
C23 C24 C25 C26 -174.3(9) . . . . ?
C24 C25 C26 C27 0.6(15) . . . . ?
C25 C26 C27 C28 -1.2(16) . . . . ?
C26 C27 C28 N4 -0.5(15) . . . . ?
C26 C27 C28 C29 -176.5(10) . . . . ?
C24 N4 C28 C27 3.1(13) . . . . ?
Ru1 N4 C28 C27 176.3(7) . . . . ?
C24 N4 C28 C29 179.7(8) . . . . ?
Ru1 N4 C28 C29 -7.1(9) . . . . ?
C33 N5 C29 C30 0.5(13) . . . . ?
Ru1 N5 C29 C30 -175.3(7) . . . . ?
C33 N5 C29 C28 -177.8(8) . . . . ?
Ru1 N5 C29 C28 6.4(9) . . . . ?
C27 C28 C29 N5 176.1(9) . . . . ?
N4 C28 C29 N5 -0.1(11) . . . . ?
C27 C28 C29 C30 -2.1(15) . . . . ?
N4 C28 C29 C30 -178.3(8) . . . . ?
N5 C29 C30 C31 -2.1(14) . . . . ?
C28 C29 C30 C31 176.1(9) . . . . ?
C29 C30 C31 C32 2.8(16) . . . . ?
C30 C31 C32 C33 -1.9(17) . . . . ?
C29 N5 C33 C32 0.6(13) . . . . ?
Ru1 N5 C33 C32 175.5(7) . . . . ?
C31 C32 C33 N5 0.2(16) . . . . ?
Ru1 O1 C34 O2 -9.2(19) . . . . ?
C35 C35 C36 C37 -180(2) 2_666 . . . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         1.591
_refine_diff_density_min         -1.072
_refine_diff_density_rms         0.144
####################################################################### 
# 
# 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_190601c
_database_code_depnum_ccdc_archive 'CCDC 1920316'
loop_
_audit_author_name
_audit_author_address
dengli
;qingdao institute of bioenergy and bioprocess technology, cas
China
;
_audit_update_record             
;
2019-06-03 deposited with the CCDC.	2020-03-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C43 H34 Cl3 F6 N5 P Ru'
_chemical_formula_weight         973.14

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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   13.5920(11)
_cell_length_b                   13.6081(11)
_cell_length_c                   14.0589(12)
_cell_angle_alpha                64.306(2)
_cell_angle_beta                 73.922(4)
_cell_angle_gamma                64.168(3)
_cell_volume                     2096.6(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    3865
_cell_measurement_theta_min      2.808
_cell_measurement_theta_max      26.563

_exptl_crystal_description       Block
_exptl_crystal_colour            Purple
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             982
_exptl_absorpt_coefficient_mu    0.668
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7759
_exptl_absorpt_correction_T_max  0.8779
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10171
_diffrn_reflns_av_R_equivalents  0.0436
_diffrn_reflns_av_sigmaI/netI    0.0984
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.81
_diffrn_reflns_theta_max         25.02
_reflns_number_total             7153
_reflns_number_gt                4665
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_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)+(0.0950P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7153
_refine_ls_number_parameters     551
_refine_ls_number_restraints     278
_refine_ls_R_factor_all          0.1117
_refine_ls_R_factor_gt           0.0635
_refine_ls_wR_factor_ref         0.1850
_refine_ls_wR_factor_gt          0.1569
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.071
_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 0.11241(4) 0.15035(4) 0.16970(4) 0.0363(2) Uani 1 1 d . . .
Cl1 Cl 0.14880(14) 0.22336(13) -0.02175(12) 0.0449(4) Uani 1 1 d . . .
Cl2 Cl 0.2719(3) 0.6506(3) 0.2431(3) 0.1560(14) Uani 1 1 d . . .
Cl3 Cl 0.4309(3) 0.5885(3) 0.0764(3) 0.1358(12) Uani 1 1 d . . .
F1 F 0.4707(10) 0.2952(9) 0.3099(9) 0.131(3) Uani 0.710(7) 1 d PU A 1
F2 F 0.6243(8) 0.0559(7) 0.2812(9) 0.132(3) Uani 0.710(7) 1 d PU A 1
F3 F 0.4394(8) 0.1686(11) 0.3095(8) 0.119(3) Uani 0.710(7) 1 d PU A 1
F4 F 0.5621(10) 0.2468(10) 0.1769(10) 0.127(3) Uani 0.710(7) 1 d PU A 1
F5 F 0.6628(9) 0.1875(10) 0.3053(9) 0.121(3) Uani 0.710(7) 1 d PU A 1
F6 F 0.5454(9) 0.1083(11) 0.4239(8) 0.137(4) Uani 0.710(7) 1 d PU A 1
F1' F 0.541(2) 0.296(2) 0.274(2) 0.131(3) Uani 0.290(7) 1 d P A 2
F2' F 0.581(2) 0.041(2) 0.381(2) 0.132(3) Uani 0.290(7) 1 d P A 2
F3' F 0.474(2) 0.151(3) 0.258(2) 0.119(3) Uani 0.290(7) 1 d P A 2
F4' F 0.598(3) 0.189(3) 0.186(3) 0.127(3) Uani 0.290(7) 1 d P A 2
F5' F 0.692(2) 0.115(2) 0.304(2) 0.121(3) Uani 0.290(7) 1 d P A 2
F6' F 0.537(2) 0.188(3) 0.410(2) 0.137(4) Uani 0.290(7) 1 d P A 2
N1 N 0.0279(4) 0.0610(4) 0.1580(4) 0.0398(12) Uani 1 1 d . . .
N2 N -0.0323(4) 0.2748(4) 0.1431(3) 0.0316(11) Uani 1 1 d . . .
N3 N 0.1415(4) 0.2903(4) 0.1672(3) 0.0333(11) Uani 1 1 d . . .
N4 N 0.0987(4) 0.1018(4) 0.3346(4) 0.0417(13) Uani 1 1 d . . .
N5 N 0.2693(4) 0.0187(4) 0.2075(4) 0.0361(12) Uani 1 1 d . . .
P1 P 0.55578(17) 0.17168(19) 0.30134(16) 0.0587(5) Uani 1 1 d U . .
C1 C 0.0667(6) -0.0532(6) 0.1680(5) 0.0485(17) Uani 1 1 d . . .
H1 H 0.1378 -0.1013 0.1859 0.058 Uiso 1 1 calc R . .
C2 C 0.0021(7) -0.0993(7) 0.1518(6) 0.063(2) Uani 1 1 d . . .
H2 H 0.0299 -0.1776 0.1589 0.075 Uiso 1 1 calc R . .
C3 C -0.1042(7) -0.0280(7) 0.1249(6) 0.063(2) Uani 1 1 d . . .
H3 H -0.1481 -0.0581 0.1140 0.075 Uiso 1 1 calc R . .
C4 C -0.1433(6) 0.0867(7) 0.1147(5) 0.0555(19) Uani 1 1 d . . .
H4 H -0.2140 0.1354 0.0960 0.067 Uiso 1 1 calc R . .
C5 C -0.0772(5) 0.1310(6) 0.1322(5) 0.0396(15) Uani 1 1 d . . .
C6 C -0.1129(5) 0.2534(6) 0.1246(4) 0.0393(15) Uani 1 1 d . . .
C7 C -0.2157(6) 0.3401(7) 0.1062(6) 0.0573(19) Uani 1 1 d . . .
H7 H -0.2709 0.3252 0.0942 0.069 Uiso 1 1 calc R . .
C8 C -0.2358(6) 0.4485(7) 0.1059(6) 0.0593(19) Uani 1 1 d . . .
H8 H -0.3052 0.5068 0.0953 0.071 Uiso 1 1 calc R . .
C9 C -0.1518(5) 0.4703(6) 0.1214(5) 0.0533(18) Uani 1 1 d . . .
H9 H -0.1647 0.5436 0.1208 0.064 Uiso 1 1 calc R . .
C10 C -0.0483(5) 0.3822(5) 0.1380(4) 0.0373(14) Uani 1 1 d . . .
C11 C 0.0507(5) 0.3896(5) 0.1521(4) 0.0349(14) Uani 1 1 d . . .
C12 C 0.0545(6) 0.4924(5) 0.1489(5) 0.0494(17) Uani 1 1 d . . .
H12 H -0.0084 0.5599 0.1391 0.059 Uiso 1 1 calc R . .
C13 C 0.1518(7) 0.4930(6) 0.1605(6) 0.063(2) Uani 1 1 d . . .
H13 H 0.1557 0.5607 0.1578 0.076 Uiso 1 1 calc R . .
C14 C 0.2421(6) 0.3918(6) 0.1759(5) 0.0518(18) Uani 1 1 d . . .
H14 H 0.3083 0.3903 0.1845 0.062 Uiso 1 1 calc R . .
C15 C 0.2364(5) 0.2921(5) 0.1788(5) 0.0424(15) Uani 1 1 d . . .
H15 H 0.2991 0.2244 0.1890 0.051 Uiso 1 1 calc R . .
C16 C 0.1975(6) 0.0620(5) 0.3671(5) 0.0474(17) Uani 1 1 d . . .
C17 C 0.2105(7) 0.0717(6) 0.4593(6) 0.059(2) Uani 1 1 d . . .
H17 H 0.2800 0.0433 0.4802 0.071 Uiso 1 1 calc R . .
C18 C 0.1201(8) 0.1228(7) 0.5161(6) 0.065(2) Uani 1 1 d . . .
H18 H 0.1282 0.1350 0.5732 0.078 Uiso 1 1 calc R . .
C19 C 0.0149(7) 0.1577(6) 0.4907(5) 0.0535(18) Uani 1 1 d . . .
C20 C 0.0053(6) 0.1436(5) 0.3997(5) 0.0403(15) Uani 1 1 d . . .
C21 C -0.0991(6) 0.1646(6) 0.3795(5) 0.0468(16) Uani 1 1 d . . .
H21 H -0.1062 0.1509 0.3228 0.056 Uiso 1 1 calc R . .
C22 C -0.1893(7) 0.2050(7) 0.4430(6) 0.060(2) Uani 1 1 d . . .
H22 H -0.2580 0.2168 0.4304 0.072 Uiso 1 1 calc R . .
C23 C -0.1817(8) 0.2292(8) 0.5266(6) 0.077(2) Uani 1 1 d . . .
H23 H -0.2451 0.2627 0.5657 0.092 Uiso 1 1 calc R . .
C24 C -0.0810(8) 0.2036(7) 0.5507(6) 0.069(2) Uani 1 1 d . . .
H24 H -0.0761 0.2170 0.6084 0.083 Uiso 1 1 calc R . .
C25 C 0.2907(6) 0.0046(6) 0.3022(6) 0.0504(18) Uani 1 1 d . . .
C26 C 0.3958(7) -0.0655(7) 0.3386(7) 0.065(2) Uani 1 1 d . . .
H26 H 0.4088 -0.0717 0.4030 0.078 Uiso 1 1 calc R . .
C27 C 0.4764(7) -0.1228(7) 0.2805(8) 0.078(3) Uani 1 1 d . . .
H27 H 0.5457 -0.1678 0.3039 0.094 Uiso 1 1 calc R . .
C28 C 0.4568(6) -0.1152(6) 0.1847(7) 0.060(2) Uani 1 1 d . . .
C29 C 0.3499(5) -0.0441(5) 0.1499(5) 0.0451(16) Uani 1 1 d . . .
C30 C 0.3288(6) -0.0402(6) 0.0554(5) 0.0482(16) Uani 1 1 d . . .
H30 H 0.2592 0.0041 0.0325 0.058 Uiso 1 1 calc R . .
C31 C 0.4113(7) -0.1020(7) -0.0033(7) 0.068(2) Uani 1 1 d . . .
H31 H 0.3961 -0.1000 -0.0648 0.081 Uiso 1 1 calc R . .
C32 C 0.5173(8) -0.1677(8) 0.0284(9) 0.084(3) Uani 1 1 d . . .
H32 H 0.5727 -0.2059 -0.0135 0.101 Uiso 1 1 calc R . .
C33 C 0.5387(7) -0.1752(8) 0.1204(9) 0.084(3) Uani 1 1 d . . .
H33 H 0.6087 -0.2208 0.1419 0.101 Uiso 1 1 calc R . .
C34 C 0.4118(10) 0.5857(11) 0.2018(9) 0.124(3) Uani 1 1 d U . .
H34A H 0.4529 0.6270 0.2052 0.149 Uiso 1 1 calc R . .
H34B H 0.4402 0.5051 0.2499 0.149 Uiso 1 1 calc R . .
C35 C 0.2349(8) 0.2360(10) 0.6562(8) 0.100(2) Uani 1 1 d DU . .
H35 H 0.2612 0.1630 0.7092 0.120 Uiso 1 1 calc R . .
C36 C 0.2774(9) 0.2511(9) 0.5523(7) 0.098(2) Uani 1 1 d DU . .
H36 H 0.3342 0.1899 0.5346 0.118 Uiso 1 1 calc R . .
C37 C 0.2348(9) 0.3577(10) 0.4756(9) 0.115(3) Uani 1 1 d DU . .
H37 H 0.2585 0.3673 0.4045 0.138 Uiso 1 1 calc R . .
C38 C 0.1568(10) 0.4514(11) 0.5021(9) 0.133(3) Uani 1 1 d DU . .
H38 H 0.1305 0.5244 0.4493 0.159 Uiso 1 1 calc R . .
C39 C 0.1179(10) 0.4366(10) 0.6075(8) 0.130(3) Uani 1 1 d DU . .
H39 H 0.0681 0.4998 0.6268 0.155 Uiso 1 1 calc R . .
C40 C 0.1545(9) 0.3270(9) 0.6823(9) 0.115(3) Uani 1 1 d DU . .
H40 H 0.1239 0.3142 0.7525 0.138 Uiso 1 1 calc R . .
C41 C 0.4914(12) 0.4210(11) 0.4772(12) 0.129(3) Uani 1 1 d DU . .
H41 H 0.4831 0.3647 0.4627 0.155 Uiso 1 1 calc R . .
C42 C 0.4226(11) 0.4527(12) 0.5597(12) 0.143(4) Uani 1 1 d DU . .
H42 H 0.3709 0.4183 0.5990 0.171 Uiso 1 1 calc R . .
C43 C 0.4319(13) 0.5374(13) 0.5832(12) 0.147(4) Uani 1 1 d DU . .
H43 H 0.3872 0.5628 0.6377 0.176 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 N2 1.957(5) . ?
Ru1 N1 2.078(5) . ?
Ru1 N3 2.091(5) . ?
Ru1 N4 2.094(5) . ?
Ru1 N5 2.124(5) . ?
Ru1 Cl1 2.4183(16) . ?
Cl2 C34 1.762(12) . ?
Cl3 C34 1.696(11) . ?
F1 P1 1.606(10) . ?
F2 P1 1.546(9) . ?
F3 P1 1.572(10) . ?
F4 P1 1.598(12) . ?
F5 P1 1.579(9) . ?
F6 P1 1.555(10) . ?
F1' P1 1.49(3) . ?
F2' P1 1.58(2) . ?
F3' P1 1.58(3) . ?
F4' P1 1.52(4) . ?
F5' P1 1.67(3) . ?
F6' P1 1.57(3) . ?
N1 C1 1.361(8) . ?
N1 C5 1.371(8) . ?
N2 C10 1.352(7) . ?
N2 C6 1.363(7) . ?
N3 C11 1.354(7) . ?
N3 C15 1.357(7) . ?
N4 C16 1.341(8) . ?
N4 C20 1.397(8) . ?
N5 C25 1.356(8) . ?
N5 C29 1.371(8) . ?
C1 C2 1.389(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.391(11) . ?
C2 H2 0.9300 . ?
C3 C4 1.365(10) . ?
C3 H3 0.9300 . ?
C4 C5 1.398(8) . ?
C4 H4 0.9300 . ?
C5 C6 1.481(9) . ?
C6 C7 1.381(9) . ?
C7 C8 1.377(10) . ?
C7 H7 0.9300 . ?
C8 C9 1.389(9) . ?
C8 H8 0.9300 . ?
C9 C10 1.393(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.464(8) . ?
C11 C12 1.403(8) . ?
C12 C13 1.380(9) . ?
C12 H12 0.9300 . ?
C13 C14 1.367(10) . ?
C13 H13 0.9300 . ?
C14 C15 1.374(8) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.422(9) . ?
C16 C25 1.471(10) . ?
C17 C18 1.351(10) . ?
C17 H17 0.9300 . ?
C18 C19 1.393(10) . ?
C18 H18 0.9300 . ?
C19 C24 1.392(11) . ?
C19 C20 1.421(9) . ?
C20 C21 1.406(9) . ?
C21 C22 1.354(9) . ?
C21 H21 0.9300 . ?
C22 C23 1.391(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.360(11) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.417(9) . ?
C26 C27 1.337(11) . ?
C26 H26 0.9300 . ?
C27 C28 1.397(11) . ?
C27 H27 0.9300 . ?
C28 C33 1.419(12) . ?
C28 C29 1.429(9) . ?
C29 C30 1.410(9) . ?
C30 C31 1.384(10) . ?
C30 H30 0.9300 . ?
C31 C32 1.400(12) . ?
C31 H31 0.9300 . ?
C32 C33 1.354(12) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 C40 1.362(8) . ?
C35 C36 1.373(8) . ?
C35 H35 0.9300 . ?
C36 C37 1.363(8) . ?
C36 H36 0.9300 . ?
C37 C38 1.380(9) . ?
C37 H37 0.9300 . ?
C38 C39 1.384(9) . ?
C38 H38 0.9300 . ?
C39 C40 1.364(9) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
C41 C43 1.317(17) 2_666 ?
C41 C42 1.374(9) . ?
C41 H41 0.9300 . ?
C42 C43 1.391(9) . ?
C42 H42 0.9300 . ?
C43 C41 1.317(17) 2_666 ?
C43 H43 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
N2 Ru1 N1 79.53(19) . . ?
N2 Ru1 N3 79.21(18) . . ?
N1 Ru1 N3 158.69(19) . . ?
N2 Ru1 N4 98.76(19) . . ?
N1 Ru1 N4 101.10(18) . . ?
N3 Ru1 N4 83.50(18) . . ?
N2 Ru1 N5 175.91(18) . . ?
N1 Ru1 N5 103.25(19) . . ?
N3 Ru1 N5 98.06(17) . . ?
N4 Ru1 N5 77.83(19) . . ?
N2 Ru1 Cl1 83.86(13) . . ?
N1 Ru1 Cl1 88.98(13) . . ?
N3 Ru1 Cl1 87.42(13) . . ?
N4 Ru1 Cl1 169.88(14) . . ?
N5 Ru1 Cl1 99.12(14) . . ?
C1 N1 C5 118.9(5) . . ?
C1 N1 Ru1 127.7(4) . . ?
C5 N1 Ru1 113.3(4) . . ?
C10 N2 C6 121.3(5) . . ?
C10 N2 Ru1 119.2(4) . . ?
C6 N2 Ru1 119.4(4) . . ?
C11 N3 C15 118.8(5) . . ?
C11 N3 Ru1 112.8(4) . . ?
C15 N3 Ru1 128.5(4) . . ?
C16 N4 C20 118.2(5) . . ?
C16 N4 Ru1 110.6(4) . . ?
C20 N4 Ru1 126.7(4) . . ?
C25 N5 C29 118.3(5) . . ?
C25 N5 Ru1 110.7(4) . . ?
C29 N5 Ru1 130.8(4) . . ?
F1' P1 F4' 87.0(16) . . ?
F1' P1 F2 147.4(11) . . ?
F4' P1 F2 66.3(11) . . ?
F1' P1 F6 110.2(12) . . ?
F4' P1 F6 158.7(11) . . ?
F2 P1 F6 93.1(6) . . ?
F1' P1 F6' 74.0(15) . . ?
F4' P1 F6' 156.8(19) . . ?
F2 P1 F6' 125.4(11) . . ?
F6 P1 F6' 36.2(10) . . ?
F1' P1 F3 107.4(13) . . ?
F4' P1 F3 102.3(14) . . ?
F2 P1 F3 96.9(6) . . ?
F6 P1 F3 84.8(6) . . ?
F6' P1 F3 96.2(12) . . ?
F1' P1 F2' 152.5(16) . . ?
F4' P1 F2' 116.3(15) . . ?
F2 P1 F2' 50.1(10) . . ?
F6 P1 F2' 44.0(9) . . ?
F6' P1 F2' 79.6(13) . . ?
F3 P1 F2' 83.0(11) . . ?
F1' P1 F3' 116.6(17) . . ?
F4' P1 F3' 74.7(17) . . ?
F2 P1 F3' 75.6(12) . . ?
F6 P1 F3' 106.5(12) . . ?
F6' P1 F3' 125.7(16) . . ?
F3 P1 F3' 29.8(10) . . ?
F2' P1 F3' 85.2(15) . . ?
F1' P1 F5 66.4(12) . . ?
F4' P1 F5 85.0(15) . . ?
F2 P1 F5 91.8(6) . . ?
F6 P1 F5 90.6(6) . . ?
F6' P1 F5 75.2(12) . . ?
F3 P1 F5 170.4(7) . . ?
F2' P1 F5 99.5(11) . . ?
F3' P1 F5 159.1(11) . . ?
F1' P1 F4 65.2(11) . . ?
F4' P1 F4 25.7(11) . . ?
F2 P1 F4 91.6(6) . . ?
F6 P1 F4 175.3(7) . . ?
F6' P1 F4 139.2(12) . . ?
F3 P1 F4 95.3(6) . . ?
F2' P1 F4 140.7(12) . . ?
F3' P1 F4 75.4(12) . . ?
F5 P1 F4 88.6(6) . . ?
F1' P1 F1 35.5(10) . . ?
F4' P1 F1 109.0(11) . . ?
F2 P1 F1 170.4(6) . . ?
F6 P1 F1 92.1(6) . . ?
F6' P1 F1 62.2(10) . . ?
F3 P1 F1 75.6(7) . . ?
F2' P1 F1 133.0(11) . . ?
F3' P1 F1 95.2(12) . . ?
F5 P1 F1 96.2(6) . . ?
F4 P1 F1 83.3(5) . . ?
F1' P1 F5' 96.9(14) . . ?
F4' P1 F5' 77.8(16) . . ?
F2 P1 F5' 60.5(10) . . ?
F6 P1 F5' 87.5(11) . . ?
F6' P1 F5' 91.0(15) . . ?
F3 P1 F5' 155.7(11) . . ?
F2' P1 F5' 75.5(14) . . ?
F3' P1 F5' 134.7(15) . . ?
F5 P1 F5' 31.7(9) . . ?
F4 P1 F5' 94.2(11) . . ?
F1 P1 F5' 127.8(11) . . ?
N1 C1 C2 121.2(7) . . ?
N1 C1 H1 119.4 . . ?
C2 C1 H1 119.4 . . ?
C1 C2 C3 119.8(7) . . ?
C1 C2 H2 120.1 . . ?
C3 C2 H2 120.1 . . ?
C4 C3 C2 119.2(6) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C5 120.0(7) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
N1 C5 C4 120.9(6) . . ?
N1 C5 C6 115.2(5) . . ?
C4 C5 C6 124.0(6) . . ?
N2 C6 C7 120.2(6) . . ?
N2 C6 C5 112.3(5) . . ?
C7 C6 C5 127.4(6) . . ?
C8 C7 C6 119.6(6) . . ?
C8 C7 H7 120.2 . . ?
C6 C7 H7 120.2 . . ?
C7 C8 C9 119.6(6) . . ?
C7 C8 H8 120.2 . . ?
C9 C8 H8 120.2 . . ?
C8 C9 C10 119.8(6) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
N2 C10 C9 119.3(6) . . ?
N2 C10 C11 112.9(5) . . ?
C9 C10 C11 127.8(6) . . ?
N3 C11 C12 120.8(6) . . ?
N3 C11 C10 115.9(5) . . ?
C12 C11 C10 123.3(6) . . ?
C13 C12 C11 119.8(6) . . ?
C13 C12 H12 120.1 . . ?
C11 C12 H12 120.1 . . ?
C14 C13 C12 118.4(6) . . ?
C14 C13 H13 120.8 . . ?
C12 C13 H13 120.8 . . ?
C13 C14 C15 120.7(6) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
N3 C15 C14 121.5(6) . . ?
N3 C15 H15 119.2 . . ?
C14 C15 H15 119.2 . . ?
N4 C16 C17 122.3(7) . . ?
N4 C16 C25 114.9(5) . . ?
C17 C16 C25 122.7(6) . . ?
C18 C17 C16 118.9(7) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C17 C18 C19 121.2(7) . . ?
C17 C18 H18 119.4 . . ?
C19 C18 H18 119.4 . . ?
C24 C19 C18 123.6(7) . . ?
C24 C19 C20 118.4(7) . . ?
C18 C19 C20 118.1(7) . . ?
N4 C20 C21 119.9(5) . . ?
N4 C20 C19 120.8(6) . . ?
C21 C20 C19 119.3(6) . . ?
C22 C21 C20 119.5(6) . . ?
C22 C21 H21 120.2 . . ?
C20 C21 H21 120.2 . . ?
C21 C22 C23 121.6(8) . . ?
C21 C22 H22 119.2 . . ?
C23 C22 H22 119.2 . . ?
C24 C23 C22 119.5(8) . . ?
C24 C23 H23 120.2 . . ?
C22 C23 H23 120.2 . . ?
C23 C24 C19 121.3(7) . . ?
C23 C24 H24 119.3 . . ?
C19 C24 H24 119.3 . . ?
N5 C25 C26 121.9(7) . . ?
N5 C25 C16 116.3(6) . . ?
C26 C25 C16 121.8(6) . . ?
C27 C26 C25 120.0(7) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C28 120.2(7) . . ?
C26 C27 H27 119.9 . . ?
C28 C27 H27 119.9 . . ?
C27 C28 C33 122.7(8) . . ?
C27 C28 C29 118.7(7) . . ?
C33 C28 C29 118.6(8) . . ?
N5 C29 C30 120.5(6) . . ?
N5 C29 C28 120.7(6) . . ?
C30 C29 C28 118.7(7) . . ?
C31 C30 C29 120.1(7) . . ?
C31 C30 H30 119.9 . . ?
C29 C30 H30 119.9 . . ?
C30 C31 C32 121.2(8) . . ?
C30 C31 H31 119.4 . . ?
C32 C31 H31 119.4 . . ?
C33 C32 C31 119.7(8) . . ?
C33 C32 H32 120.2 . . ?
C31 C32 H32 120.2 . . ?
C32 C33 C28 121.6(8) . . ?
C32 C33 H33 119.2 . . ?
C28 C33 H33 119.2 . . ?
Cl3 C34 Cl2 111.8(6) . . ?
Cl3 C34 H34A 109.3 . . ?
Cl2 C34 H34A 109.3 . . ?
Cl3 C34 H34B 109.3 . . ?
Cl2 C34 H34B 109.3 . . ?
H34A C34 H34B 107.9 . . ?
C40 C35 C36 120.5(11) . . ?
C40 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C37 C36 C35 118.7(11) . . ?
C37 C36 H36 120.6 . . ?
C35 C36 H36 120.6 . . ?
C36 C37 C38 120.8(11) . . ?
C36 C37 H37 119.6 . . ?
C38 C37 H37 119.6 . . ?
C37 C38 C39 119.9(11) . . ?
C37 C38 H38 120.0 . . ?
C39 C38 H38 120.0 . . ?
C40 C39 C38 118.3(12) . . ?
C40 C39 H39 120.8 . . ?
C38 C39 H39 120.8 . . ?
C35 C40 C39 121.4(11) . . ?
C35 C40 H40 119.3 . . ?
C39 C40 H40 119.3 . . ?
C43 C41 C42 126.2(13) 2_666 . ?
C43 C41 H41 116.9 2_666 . ?
C42 C41 H41 116.9 . . ?
C41 C42 C43 118.5(14) . . ?
C41 C42 H42 120.7 . . ?
C43 C42 H42 120.7 . . ?
C41 C43 C42 115.2(14) 2_666 . ?
C41 C43 H43 122.4 2_666 . ?
C42 C43 H43 122.4 . . ?

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
N2 Ru1 N1 C1 -179.4(5) . . . . ?
N3 Ru1 N1 C1 176.9(5) . . . . ?
N4 Ru1 N1 C1 -82.4(5) . . . . ?
N5 Ru1 N1 C1 -2.5(5) . . . . ?
Cl1 Ru1 N1 C1 96.7(5) . . . . ?
N2 Ru1 N1 C5 3.9(4) . . . . ?
N3 Ru1 N1 C5 0.2(7) . . . . ?
N4 Ru1 N1 C5 100.9(4) . . . . ?
N5 Ru1 N1 C5 -179.2(4) . . . . ?
Cl1 Ru1 N1 C5 -80.0(4) . . . . ?
N1 Ru1 N2 C10 -180.0(4) . . . . ?
N3 Ru1 N2 C10 -1.4(4) . . . . ?
N4 Ru1 N2 C10 80.3(4) . . . . ?
N5 Ru1 N2 C10 47(3) . . . . ?
Cl1 Ru1 N2 C10 -89.9(4) . . . . ?
N1 Ru1 N2 C6 -3.5(4) . . . . ?
N3 Ru1 N2 C6 175.1(4) . . . . ?
N4 Ru1 N2 C6 -103.3(4) . . . . ?
N5 Ru1 N2 C6 -137(2) . . . . ?
Cl1 Ru1 N2 C6 86.6(4) . . . . ?
N2 Ru1 N3 C11 1.5(4) . . . . ?
N1 Ru1 N3 C11 5.2(7) . . . . ?
N4 Ru1 N3 C11 -98.7(4) . . . . ?
N5 Ru1 N3 C11 -175.4(4) . . . . ?
Cl1 Ru1 N3 C11 85.7(4) . . . . ?
N2 Ru1 N3 C15 -178.8(5) . . . . ?
N1 Ru1 N3 C15 -175.1(5) . . . . ?
N4 Ru1 N3 C15 81.0(5) . . . . ?
N5 Ru1 N3 C15 4.3(5) . . . . ?
Cl1 Ru1 N3 C15 -94.6(5) . . . . ?
N2 Ru1 N4 C16 -149.8(4) . . . . ?
N1 Ru1 N4 C16 129.3(4) . . . . ?
N3 Ru1 N4 C16 -71.8(4) . . . . ?
N5 Ru1 N4 C16 27.9(4) . . . . ?
Cl1 Ru1 N4 C16 -45.5(11) . . . . ?
N2 Ru1 N4 C20 5.7(5) . . . . ?
N1 Ru1 N4 C20 -75.2(5) . . . . ?
N3 Ru1 N4 C20 83.7(5) . . . . ?
N5 Ru1 N4 C20 -176.6(5) . . . . ?
Cl1 Ru1 N4 C20 110.0(9) . . . . ?
N2 Ru1 N5 C25 13(3) . . . . ?
N1 Ru1 N5 C25 -119.8(4) . . . . ?
N3 Ru1 N5 C25 60.5(4) . . . . ?
N4 Ru1 N5 C25 -21.0(4) . . . . ?
Cl1 Ru1 N5 C25 149.1(4) . . . . ?
N2 Ru1 N5 C29 -163(2) . . . . ?
N1 Ru1 N5 C29 65.1(5) . . . . ?
N3 Ru1 N5 C29 -114.7(5) . . . . ?
N4 Ru1 N5 C29 163.8(5) . . . . ?
Cl1 Ru1 N5 C29 -26.0(5) . . . . ?
C5 N1 C1 C2 0.4(9) . . . . ?
Ru1 N1 C1 C2 -176.1(5) . . . . ?
N1 C1 C2 C3 0.0(10) . . . . ?
C1 C2 C3 C4 0.1(11) . . . . ?
C2 C3 C4 C5 -0.6(11) . . . . ?
C1 N1 C5 C4 -1.0(9) . . . . ?
Ru1 N1 C5 C4 176.1(5) . . . . ?
C1 N1 C5 C6 179.1(5) . . . . ?
Ru1 N1 C5 C6 -3.8(6) . . . . ?
C3 C4 C5 N1 1.1(10) . . . . ?
C3 C4 C5 C6 -179.0(6) . . . . ?
C10 N2 C6 C7 -3.9(8) . . . . ?
Ru1 N2 C6 C7 179.7(5) . . . . ?
C10 N2 C6 C5 178.8(5) . . . . ?
Ru1 N2 C6 C5 2.4(6) . . . . ?
N1 C5 C6 N2 1.2(7) . . . . ?
C4 C5 C6 N2 -178.7(5) . . . . ?
N1 C5 C6 C7 -175.9(6) . . . . ?
C4 C5 C6 C7 4.2(10) . . . . ?
N2 C6 C7 C8 0.6(10) . . . . ?
C5 C6 C7 C8 177.4(6) . . . . ?
C6 C7 C8 C9 1.5(11) . . . . ?
C7 C8 C9 C10 -0.4(11) . . . . ?
C6 N2 C10 C9 5.0(8) . . . . ?
Ru1 N2 C10 C9 -178.6(4) . . . . ?
C6 N2 C10 C11 -175.5(5) . . . . ?
Ru1 N2 C10 C11 1.0(6) . . . . ?
C8 C9 C10 N2 -2.8(9) . . . . ?
C8 C9 C10 C11 177.8(6) . . . . ?
C15 N3 C11 C12 -0.2(8) . . . . ?
Ru1 N3 C11 C12 179.5(5) . . . . ?
C15 N3 C11 C10 178.8(5) . . . . ?
Ru1 N3 C11 C10 -1.5(6) . . . . ?
N2 C10 C11 N3 0.4(7) . . . . ?
C9 C10 C11 N3 179.9(6) . . . . ?
N2 C10 C11 C12 179.4(5) . . . . ?
C9 C10 C11 C12 -1.1(10) . . . . ?
N3 C11 C12 C13 0.5(9) . . . . ?
C10 C11 C12 C13 -178.4(6) . . . . ?
C11 C12 C13 C14 -0.7(10) . . . . ?
C12 C13 C14 C15 0.6(11) . . . . ?
C11 N3 C15 C14 0.1(9) . . . . ?
Ru1 N3 C15 C14 -179.6(5) . . . . ?
C13 C14 C15 N3 -0.4(10) . . . . ?
C20 N4 C16 C17 -6.4(9) . . . . ?
Ru1 N4 C16 C17 151.5(5) . . . . ?
C20 N4 C16 C25 171.9(5) . . . . ?
Ru1 N4 C16 C25 -30.3(6) . . . . ?
N4 C16 C17 C18 -0.1(10) . . . . ?
C25 C16 C17 C18 -178.1(6) . . . . ?
C16 C17 C18 C19 5.0(11) . . . . ?
C17 C18 C19 C24 175.6(7) . . . . ?
C17 C18 C19 C20 -3.2(11) . . . . ?
C16 N4 C20 C21 -167.7(6) . . . . ?
Ru1 N4 C20 C21 38.5(7) . . . . ?
C16 N4 C20 C19 8.0(8) . . . . ?
Ru1 N4 C20 C19 -145.8(5) . . . . ?
C24 C19 C20 N4 177.7(6) . . . . ?
C18 C19 C20 N4 -3.4(9) . . . . ?
C24 C19 C20 C21 -6.5(9) . . . . ?
C18 C19 C20 C21 172.4(6) . . . . ?
N4 C20 C21 C22 179.9(6) . . . . ?
C19 C20 C21 C22 4.1(9) . . . . ?
C20 C21 C22 C23 1.7(11) . . . . ?
C21 C22 C23 C24 -5.1(13) . . . . ?
C22 C23 C24 C19 2.6(13) . . . . ?
C18 C19 C24 C23 -175.6(8) . . . . ?
C20 C19 C24 C23 3.2(11) . . . . ?
C29 N5 C25 C26 5.1(9) . . . . ?
Ru1 N5 C25 C26 -170.8(5) . . . . ?
C29 N5 C25 C16 -172.4(5) . . . . ?
Ru1 N5 C25 C16 11.7(6) . . . . ?
N4 C16 C25 N5 12.5(8) . . . . ?
C17 C16 C25 N5 -169.3(6) . . . . ?
N4 C16 C25 C26 -165.0(6) . . . . ?
C17 C16 C25 C26 13.2(10) . . . . ?
N5 C25 C26 C27 -2.0(11) . . . . ?
C16 C25 C26 C27 175.4(7) . . . . ?
C25 C26 C27 C28 -1.0(12) . . . . ?
C26 C27 C28 C33 -179.1(8) . . . . ?
C26 C27 C28 C29 0.8(12) . . . . ?
C25 N5 C29 C30 174.6(6) . . . . ?
Ru1 N5 C29 C30 -10.5(8) . . . . ?
C25 N5 C29 C28 -5.2(8) . . . . ?
Ru1 N5 C29 C28 169.7(4) . . . . ?
C27 C28 C29 N5 2.3(10) . . . . ?
C33 C28 C29 N5 -177.7(6) . . . . ?
C27 C28 C29 C30 -177.5(7) . . . . ?
C33 C28 C29 C30 2.5(10) . . . . ?
N5 C29 C30 C31 178.7(6) . . . . ?
C28 C29 C30 C31 -1.5(9) . . . . ?
C29 C30 C31 C32 -1.2(11) . . . . ?
C30 C31 C32 C33 2.9(13) . . . . ?
C31 C32 C33 C28 -1.9(14) . . . . ?
C27 C28 C33 C32 179.1(8) . . . . ?
C29 C28 C33 C32 -0.8(12) . . . . ?
C40 C35 C36 C37 -2.4(15) . . . . ?
C35 C36 C37 C38 5.3(17) . . . . ?
C36 C37 C38 C39 -2.5(19) . . . . ?
C37 C38 C39 C40 -3.2(19) . . . . ?
C36 C35 C40 C39 -3.4(18) . . . . ?
C38 C39 C40 C35 6.1(19) . . . . ?
C43 C41 C42 C43 1(3) 2_666 . . . ?
C41 C42 C43 C41 -1(2) . . . 2_666 ?

_diffrn_measured_fraction_theta_max 0.965
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.965
_refine_diff_density_max         0.983
_refine_diff_density_min         -1.084
_refine_diff_density_rms         0.108
