# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# 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_spf_6_0m
_database_code_depnum_ccdc_archive 'CCDC 1940270'
loop_
_audit_author_name
_audit_author_address
'xinda yang'
;huaihai university
China
;
_audit_update_record             
;
2021-01-22 deposited with the CCDC.	2021-01-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            tpyZn
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H32 N10 O8 Zn'
_chemical_formula_sum            'C40 H32 N10 O8 Zn'
_chemical_formula_weight         846.12

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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           78
_space_group_name_H-M_alt        'P 43'
_space_group_name_Hall           'P 4cw'

_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+1/2'
'-y, x, z+3/4'
'y, -x, z+1/4'

_cell_length_a                   9.125(2)
_cell_length_b                   9.125(2)
_cell_length_c                   44.906(12)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3739(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    8346
_cell_measurement_theta_min      2.272
_cell_measurement_theta_max      24.678

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.503
_exptl_crystal_F_000             1744
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.130
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    0.727
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.755
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            22742
_diffrn_reflns_av_unetI/netI     0.0481
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -58
_diffrn_reflns_limit_l_max       58
_diffrn_reflns_theta_min         1.814
_diffrn_reflns_theta_max         27.705
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             8559
_reflns_number_gt                7635
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.965
_reflns_Friedel_fraction_max     0.985
_reflns_Friedel_fraction_full    1.000

_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       'SMART(Bruker, 2000)'
_computing_cell_refinement       'SMART(Bruker, 2000)'
_computing_data_reduction        'SMART(Bruker, 2000)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'SHELXTL, DIAMOND 3.0'
_computing_publication_material  SHELXTL
_refine_special_details          
;
 Refined as a 2-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0510P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   mixed
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 3214 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.010(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         8559
_refine_ls_number_parameters     533
_refine_ls_number_restraints     7
_refine_ls_R_factor_all          0.0458
_refine_ls_R_factor_gt           0.0388
_refine_ls_wR_factor_ref         0.0906
_refine_ls_wR_factor_gt          0.0875
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_restrained_S_all      1.022
_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
Zn1 Zn 0.42331(6) 0.72390(7) 0.11297(2) 0.03516(13) Uani 1 1 d . . . . .
C1 C 0.7392(6) 0.5751(6) 0.11412(13) 0.0442(13) Uani 1 1 d . . . . .
H1 H 0.7202 0.5530 0.0943 0.053 Uiso 1 1 calc R U . . .
C2 C 0.8721(7) 0.5378(7) 0.12582(13) 0.0515(15) Uani 1 1 d . . . . .
H2 H 0.9426 0.4916 0.1142 0.062 Uiso 1 1 calc R U . . .
C3 C 0.8995(7) 0.5707(9) 0.15550(13) 0.0603(17) Uani 1 1 d . . . . .
H3 H 0.9887 0.5458 0.1641 0.072 Uiso 1 1 calc R U . . .
C4 C 0.7928(7) 0.6407(7) 0.17201(12) 0.0513(14) Uani 1 1 d . . . . .
H4 H 0.8099 0.6665 0.1917 0.062 Uiso 1 1 calc R U . . .
C5 C 0.6600(6) 0.6717(6) 0.15865(11) 0.0378(12) Uani 1 1 d . . . . .
C6 C 0.5378(6) 0.7484(6) 0.17451(11) 0.0360(11) Uani 1 1 d . . . . .
C7 C 0.5454(6) 0.7992(7) 0.20384(11) 0.0423(13) Uani 1 1 d . . . . .
H7 H 0.6288 0.7828 0.2153 0.051 Uiso 1 1 calc R U . . .
C8 C 0.4269(6) 0.8744(6) 0.21570(10) 0.0396(11) Uani 1 1 d . . . . .
C9 C 0.3042(6) 0.8946(6) 0.19792(10) 0.0398(12) Uani 1 1 d . . . . .
H9 H 0.2234 0.9445 0.2054 0.048 Uiso 1 1 calc R U . . .
C10 C 0.3015(6) 0.8410(6) 0.16918(11) 0.0351(11) Uani 1 1 d . . . . .
C11 C 0.1799(6) 0.8642(6) 0.14763(11) 0.0373(11) Uani 1 1 d . . . . .
C12 C 0.0474(6) 0.9250(7) 0.15520(12) 0.0467(13) Uani 1 1 d . . . . .
H12 H 0.0280 0.9501 0.1749 0.056 Uiso 1 1 calc R U . . .
C13 C -0.0568(7) 0.9487(8) 0.13346(16) 0.0592(17) Uani 1 1 d . . . . .
H13 H -0.1459 0.9926 0.1381 0.071 Uiso 1 1 calc R U . . .
C14 C -0.0260(7) 0.9061(7) 0.10472(13) 0.0540(17) Uani 1 1 d . . . . .
H14 H -0.0947 0.9193 0.0897 0.065 Uiso 1 1 calc R U . . .
C15 C 0.1076(7) 0.8439(7) 0.09865(12) 0.0481(14) Uani 1 1 d . . . . .
H15 H 0.1285 0.8171 0.0791 0.058 Uiso 1 1 calc R U . . .
C16 C 0.5591(9) 1.0548(8) 0.28642(13) 0.0628(18) Uani 1 1 d . . . . .
H16 H 0.6475 1.0850 0.2947 0.075 Uiso 1 1 calc R U . . .
C17 C 0.5652(8) 0.9859(8) 0.25857(13) 0.0558(15) Uani 1 1 d . . . . .
H17 H 0.6538 0.9720 0.2487 0.067 Uiso 1 1 calc R U . . .
C18 C 0.4337(6) 0.9388(6) 0.24617(11) 0.0429(12) Uani 1 1 d . . . . .
C19 C 0.3063(7) 0.9618(7) 0.26241(12) 0.0520(15) Uani 1 1 d . . . . .
H19 H 0.2164 0.9296 0.2552 0.062 Uiso 1 1 calc R U . . .
C20 C 0.3149(8) 1.0328(7) 0.28925(13) 0.0618(18) Uani 1 1 d . . . . .
H20 H 0.2282 1.0494 0.2996 0.074 Uiso 1 1 calc R U . . .
C21 C 0.5461(6) 1.0515(6) 0.11563(13) 0.0447(13) Uani 1 1 d . . . . .
H21 H 0.5166 1.0488 0.1354 0.054 Uiso 1 1 calc R U . . .
C22 C 0.6090(7) 1.1780(6) 0.10509(13) 0.0475(14) Uani 1 1 d . . . . .
H22 H 0.6244 1.2579 0.1176 0.057 Uiso 1 1 calc R U . . .
C23 C 0.6488(7) 1.1833(6) 0.07560(14) 0.0492(13) Uani 1 1 d . . . . .
H23 H 0.6900 1.2680 0.0677 0.059 Uiso 1 1 calc R U . . .
C24 C 0.6266(6) 1.0609(6) 0.05777(11) 0.0452(13) Uani 1 1 d . . . . .
H24 H 0.6531 1.0623 0.0378 0.054 Uiso 1 1 calc R U . . .
C25 C 0.5642(5) 0.9358(6) 0.07030(9) 0.0335(10) Uani 1 1 d . . . . .
C26 C 0.5398(6) 0.8003(6) 0.05357(10) 0.0346(11) Uani 1 1 d . . . . .
C27 C 0.5935(6) 0.7746(6) 0.02508(11) 0.0408(12) Uani 1 1 d . . . . .
H27 H 0.6463 0.8467 0.0151 0.049 Uiso 1 1 calc R U . . .
C28 C 0.5674(6) 0.6396(6) 0.01166(11) 0.0415(12) Uani 1 1 d . . . . .
C29 C 0.4857(6) 0.5351(6) 0.02690(10) 0.0395(12) Uani 1 1 d . . . . .
H29 H 0.4640 0.4455 0.0181 0.047 Uiso 1 1 calc R U . . .
C30 C 0.4368(5) 0.5663(6) 0.05551(10) 0.0359(10) Uani 1 1 d . . . . .
C31 C 0.7340(11) 0.6840(9) -0.06421(15) 0.081(2) Uani 1 1 d . . . . .
H31 H 0.7564 0.7601 -0.0772 0.097 Uiso 1 1 calc R U . . .
C32 C 0.6670(8) 0.7196(9) -0.03766(14) 0.0647(18) Uani 1 1 d . . . . .
H32 H 0.6457 0.8166 -0.0331 0.078 Uiso 1 1 calc R U . . .
C33 C 0.6321(6) 0.6086(7) -0.01801(10) 0.0438(13) Uani 1 1 d . . . . .
C34 C 0.6652(8) 0.4658(7) -0.02668(14) 0.0596(17) Uani 1 1 d . . . . .
H34 H 0.6424 0.3866 -0.0145 0.072 Uiso 1 1 calc R U . . .
C35 C 0.7334(9) 0.4450(8) -0.05408(16) 0.072(2) Uani 1 1 d . . . . .
H35 H 0.7553 0.3492 -0.0596 0.086 Uiso 1 1 calc R U . . .
C36 C 0.3587(6) 0.4609(6) 0.07498(10) 0.0363(11) Uani 1 1 d . . . . .
C37 C 0.3109(7) 0.3250(6) 0.06566(12) 0.0456(13) Uani 1 1 d . . . . .
H37 H 0.3246 0.2951 0.0461 0.055 Uiso 1 1 calc R U . . .
C38 C 0.2419(7) 0.2339(7) 0.08599(13) 0.0532(15) Uani 1 1 d . . . . .
H38 H 0.2101 0.1413 0.0802 0.064 Uiso 1 1 calc R U . . .
C39 C 0.2212(7) 0.2801(7) 0.11428(17) 0.0559(14) Uani 1 1 d . . . . .
H39 H 0.1728 0.2207 0.1279 0.067 Uiso 1 1 calc R U . . .
C40 C 0.2724(7) 0.4162(7) 0.12270(12) 0.0482(15) Uani 1 1 d . . . . .
H40 H 0.2605 0.4461 0.1423 0.058 Uiso 1 1 calc R U . . .
N1 N 0.9654(8) 0.0765(9) 0.24772(18) 0.084(2) Uani 1 1 d . . . . .
N2 N 0.1425(7) 0.5738(7) 0.22475(12) 0.0611(13) Uani 1 1 d . . . . .
N3 N 0.6351(5) 0.6421(5) 0.13007(9) 0.0356(9) Uani 1 1 d . . . . .
N4 N 0.4181(4) 0.7694(5) 0.15816(9) 0.0358(9) Uani 1 1 d . . . . .
N5 N 0.2090(5) 0.8200(5) 0.11959(8) 0.0367(10) Uani 1 1 d . . . . .
N6 N 0.4412(7) 1.0801(7) 0.30164(10) 0.0640(15) Uani 1 1 d . . . . .
N7 N 0.5250(5) 0.9333(5) 0.09914(9) 0.0363(10) Uani 1 1 d . . . . .
N8 N 0.4658(5) 0.6967(5) 0.06793(8) 0.0341(9) Uani 1 1 d . . . . .
N9 N 0.3384(5) 0.5061(5) 0.10356(9) 0.0392(10) Uani 1 1 d . . . . .
N10 N 0.7687(8) 0.5488(8) -0.07250(13) 0.084(2) Uani 1 1 d . . . . .
O1 O 0.0109(8) 0.5697(11) 0.22885(15) 0.124(3) Uani 1 1 d . . . . .
O2 O 0.2192(7) 0.6060(9) 0.24553(14) 0.110(2) Uani 1 1 d . . . . .
O3 O 0.1938(7) 0.5402(7) 0.19976(13) 0.0898(17) Uani 1 1 d . . . . .
O4 O 0.9406(9) -0.0150(8) 0.22797(14) 0.115(3) Uani 1 1 d . . . . .
O5 O 1.0367(8) 0.1871(8) 0.24179(15) 0.103(2) Uani 1 1 d . . . . .
O6 O 0.9256(7) 0.0582(7) 0.27385(13) 0.0934(17) Uani 1 1 d . . . . .
O1W O 0.0694(7) 0.2573(7) 0.18096(13) 0.0912(18) Uani 1 1 d . . . . .
H1WA H 0.1068 0.3420 0.1832 0.109 Uiso 1 1 d R U . . .
H1WB H 0.0529 0.2220 0.1981 0.109 Uiso 1 1 d R U . . .
O2W O 0.9444(11) 0.7475(9) 0.28343(19) 0.140(3) Uani 1 1 d . U . . .
H2WA H 0.9628 0.7015 0.2674 0.168 Uiso 1 1 d R U . . .
H2WB H 0.9389 0.8385 0.2795 0.168 Uiso 1 1 d R U . . .


_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
Zn1 N4 2.072(4) . ?
Zn1 N8 2.075(4) . ?
Zn1 N5 2.164(5) . ?
Zn1 N9 2.175(5) . ?
Zn1 N3 2.209(5) . ?
Zn1 N7 2.213(5) . ?
C1 N3 1.338(7) . ?
C1 C2 1.364(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.389(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.381(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.381(8) . ?
C4 H4 0.9300 . ?
C5 N3 1.331(7) . ?
C5 C6 1.498(7) . ?
C6 N4 1.330(7) . ?
C6 C7 1.398(7) . ?
C7 C8 1.386(8) . ?
C7 H7 0.9300 . ?
C8 C9 1.387(7) . ?
C8 C18 1.491(7) . ?
C9 C10 1.380(7) . ?
C9 H9 0.9300 . ?
C10 N4 1.343(6) . ?
C10 C11 1.487(7) . ?
C11 N5 1.349(6) . ?
C11 C12 1.373(8) . ?
C12 C13 1.380(8) . ?
C12 H12 0.9300 . ?
C13 C14 1.377(9) . ?
C13 H13 0.9300 . ?
C14 C15 1.373(9) . ?
C14 H14 0.9300 . ?
C15 N5 1.337(7) . ?
C15 H15 0.9300 . ?
C16 N6 1.295(9) . ?
C16 C17 1.401(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.390(9) . ?
C17 H17 0.9300 . ?
C18 C19 1.389(8) . ?
C19 C20 1.370(8) . ?
C19 H19 0.9300 . ?
C20 N6 1.351(9) . ?
C20 H20 0.9300 . ?
C21 N7 1.322(7) . ?
C21 C22 1.374(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.374(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.389(8) . ?
C23 H23 0.9300 . ?
C24 C25 1.394(7) . ?
C24 H24 0.9300 . ?
C25 N7 1.344(6) . ?
C25 C26 1.465(7) . ?
C26 N8 1.328(7) . ?
C26 C27 1.390(7) . ?
C27 C28 1.392(8) . ?
C27 H27 0.9300 . ?
C28 C29 1.391(8) . ?
C28 C33 1.484(7) . ?
C29 C30 1.389(6) . ?
C29 H29 0.9300 . ?
C30 N8 1.340(7) . ?
C30 C36 1.483(7) . ?
C31 N10 1.327(10) . ?
C31 C32 1.379(9) . ?
C31 H31 0.9300 . ?
C32 C33 1.380(9) . ?
C32 H32 0.9300 . ?
C33 C34 1.393(9) . ?
C34 C35 1.392(9) . ?
C34 H34 0.9300 . ?
C35 N10 1.298(10) . ?
C35 H35 0.9300 . ?
C36 N9 1.360(6) . ?
C36 C37 1.380(8) . ?
C37 C38 1.386(8) . ?
C37 H37 0.9300 . ?
C38 C39 1.352(10) . ?
C38 H38 0.9300 . ?
C39 C40 1.379(9) . ?
C39 H39 0.9300 . ?
C40 N9 1.332(7) . ?
C40 H40 0.9300 . ?
N1 O5 1.230(9) . ?
N1 O4 1.239(9) . ?
N1 O6 1.239(9) . ?
N2 O2 1.203(7) . ?
N2 O1 1.215(9) . ?
N2 O3 1.254(8) . ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8500 . ?
O2W H2WA 0.8498 . ?
O2W H2WB 0.8500 . ?

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 Zn1 N8 169.51(16) . . ?
N4 Zn1 N5 76.31(15) . . ?
N8 Zn1 N5 110.58(16) . . ?
N4 Zn1 N9 111.44(17) . . ?
N8 Zn1 N9 76.56(16) . . ?
N5 Zn1 N9 94.30(18) . . ?
N4 Zn1 N3 75.38(16) . . ?
N8 Zn1 N3 97.74(17) . . ?
N5 Zn1 N3 151.61(15) . . ?
N9 Zn1 N3 94.04(18) . . ?
N4 Zn1 N7 96.40(17) . . ?
N8 Zn1 N7 75.60(16) . . ?
N5 Zn1 N7 93.88(18) . . ?
N9 Zn1 N7 152.11(15) . . ?
N3 Zn1 N7 91.28(17) . . ?
N3 C1 C2 122.6(6) . . ?
N3 C1 H1 118.7 . . ?
C2 C1 H1 118.7 . . ?
C1 C2 C3 118.4(5) . . ?
C1 C2 H2 120.8 . . ?
C3 C2 H2 120.8 . . ?
C4 C3 C2 119.2(5) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C5 118.7(5) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
N3 C5 C4 121.8(5) . . ?
N3 C5 C6 115.2(5) . . ?
C4 C5 C6 122.9(5) . . ?
N4 C6 C7 120.9(5) . . ?
N4 C6 C5 114.6(4) . . ?
C7 C6 C5 124.5(5) . . ?
C8 C7 C6 119.2(5) . . ?
C8 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
C9 C8 C7 118.3(4) . . ?
C9 C8 C18 120.6(5) . . ?
C7 C8 C18 121.0(5) . . ?
C10 C9 C8 120.4(5) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
N4 C10 C9 120.2(4) . . ?
N4 C10 C11 114.9(4) . . ?
C9 C10 C11 124.8(5) . . ?
N5 C11 C12 121.7(5) . . ?
N5 C11 C10 114.7(5) . . ?
C12 C11 C10 123.6(5) . . ?
C11 C12 C13 119.7(5) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C14 C13 C12 118.6(5) . . ?
C14 C13 H13 120.7 . . ?
C12 C13 H13 120.7 . . ?
C15 C14 C13 119.0(5) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
N5 C15 C14 122.9(5) . . ?
N5 C15 H15 118.6 . . ?
C14 C15 H15 118.6 . . ?
N6 C16 C17 125.7(7) . . ?
N6 C16 H16 117.1 . . ?
C17 C16 H16 117.1 . . ?
C18 C17 C16 117.5(6) . . ?
C18 C17 H17 121.2 . . ?
C16 C17 H17 121.2 . . ?
C19 C18 C17 117.7(5) . . ?
C19 C18 C8 120.5(5) . . ?
C17 C18 C8 121.7(5) . . ?
C20 C19 C18 119.0(6) . . ?
C20 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
N6 C20 C19 124.2(6) . . ?
N6 C20 H20 117.9 . . ?
C19 C20 H20 117.9 . . ?
N7 C21 C22 123.6(5) . . ?
N7 C21 H21 118.2 . . ?
C22 C21 H21 118.2 . . ?
C23 C22 C21 118.2(5) . . ?
C23 C22 H22 120.9 . . ?
C21 C22 H22 120.9 . . ?
C22 C23 C24 119.2(5) . . ?
C22 C23 H23 120.4 . . ?
C24 C23 H23 120.4 . . ?
C23 C24 C25 119.0(5) . . ?
C23 C24 H24 120.5 . . ?
C25 C24 H24 120.5 . . ?
N7 C25 C24 120.8(5) . . ?
N7 C25 C26 116.1(4) . . ?
C24 C25 C26 123.1(4) . . ?
N8 C26 C27 120.4(5) . . ?
N8 C26 C25 115.4(4) . . ?
C27 C26 C25 124.1(5) . . ?
C26 C27 C28 119.1(5) . . ?
C26 C27 H27 120.4 . . ?
C28 C27 H27 120.4 . . ?
C27 C28 C29 119.1(5) . . ?
C27 C28 C33 119.3(5) . . ?
C29 C28 C33 121.6(5) . . ?
C30 C29 C28 119.1(5) . . ?
C30 C29 H29 120.5 . . ?
C28 C29 H29 120.5 . . ?
N8 C30 C29 120.3(5) . . ?
N8 C30 C36 115.2(4) . . ?
C29 C30 C36 124.5(5) . . ?
N10 C31 C32 124.6(7) . . ?
N10 C31 H31 117.7 . . ?
C32 C31 H31 117.7 . . ?
C31 C32 C33 118.8(7) . . ?
C31 C32 H32 120.6 . . ?
C33 C32 H32 120.6 . . ?
C32 C33 C34 117.2(5) . . ?
C32 C33 C28 121.7(5) . . ?
C34 C33 C28 121.0(5) . . ?
C35 C34 C33 118.2(6) . . ?
C35 C34 H34 120.9 . . ?
C33 C34 H34 120.9 . . ?
N10 C35 C34 125.0(7) . . ?
N10 C35 H35 117.5 . . ?
C34 C35 H35 117.5 . . ?
N9 C36 C37 121.0(5) . . ?
N9 C36 C30 115.2(4) . . ?
C37 C36 C30 123.8(4) . . ?
C36 C37 C38 118.9(5) . . ?
C36 C37 H37 120.5 . . ?
C38 C37 H37 120.5 . . ?
C39 C38 C37 119.7(6) . . ?
C39 C38 H38 120.2 . . ?
C37 C38 H38 120.2 . . ?
C38 C39 C40 119.4(6) . . ?
C38 C39 H39 120.3 . . ?
C40 C39 H39 120.3 . . ?
N9 C40 C39 122.1(6) . . ?
N9 C40 H40 119.0 . . ?
C39 C40 H40 119.0 . . ?
O5 N1 O4 119.6(8) . . ?
O5 N1 O6 118.1(8) . . ?
O4 N1 O6 122.2(8) . . ?
O2 N2 O1 117.7(7) . . ?
O2 N2 O3 122.4(7) . . ?
O1 N2 O3 119.8(6) . . ?
C5 N3 C1 119.2(5) . . ?
C5 N3 Zn1 114.6(4) . . ?
C1 N3 Zn1 126.1(4) . . ?
C6 N4 C10 121.2(4) . . ?
C6 N4 Zn1 119.5(3) . . ?
C10 N4 Zn1 118.5(3) . . ?
C15 N5 C11 118.1(5) . . ?
C15 N5 Zn1 126.5(4) . . ?
C11 N5 Zn1 115.3(3) . . ?
C16 N6 C20 115.7(5) . . ?
C21 N7 C25 119.1(5) . . ?
C21 N7 Zn1 127.4(4) . . ?
C25 N7 Zn1 113.4(3) . . ?
C26 N8 C30 122.0(4) . . ?
C26 N8 Zn1 118.9(3) . . ?
C30 N8 Zn1 118.4(3) . . ?
C40 N9 C36 118.9(5) . . ?
C40 N9 Zn1 126.8(4) . . ?
C36 N9 Zn1 114.3(3) . . ?
C35 N10 C31 116.2(6) . . ?
H1WA O1W H1WB 108.0 . . ?
H2WA O2W H2WB 108.5 . . ?

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
N3 C1 C2 C3 0.2(9) . . . . ?
C1 C2 C3 C4 -0.6(11) . . . . ?
C2 C3 C4 C5 2.0(11) . . . . ?
C3 C4 C5 N3 -3.2(10) . . . . ?
C3 C4 C5 C6 -179.4(6) . . . . ?
N3 C5 C6 N4 3.4(7) . . . . ?
C4 C5 C6 N4 179.8(5) . . . . ?
N3 C5 C6 C7 -175.0(5) . . . . ?
C4 C5 C6 C7 1.5(9) . . . . ?
N4 C6 C7 C8 -1.0(8) . . . . ?
C5 C6 C7 C8 177.2(5) . . . . ?
C6 C7 C8 C9 0.8(8) . . . . ?
C6 C7 C8 C18 -176.1(5) . . . . ?
C7 C8 C9 C10 -0.2(8) . . . . ?
C18 C8 C9 C10 176.7(5) . . . . ?
C8 C9 C10 N4 -0.3(8) . . . . ?
C8 C9 C10 C11 -176.1(5) . . . . ?
N4 C10 C11 N5 -4.9(7) . . . . ?
C9 C10 C11 N5 171.1(5) . . . . ?
N4 C10 C11 C12 174.9(5) . . . . ?
C9 C10 C11 C12 -9.1(9) . . . . ?
N5 C11 C12 C13 -3.3(9) . . . . ?
C10 C11 C12 C13 177.0(6) . . . . ?
C11 C12 C13 C14 2.0(10) . . . . ?
C12 C13 C14 C15 -1.0(10) . . . . ?
C13 C14 C15 N5 1.3(10) . . . . ?
N6 C16 C17 C18 -0.7(11) . . . . ?
C16 C17 C18 C19 -0.8(9) . . . . ?
C16 C17 C18 C8 175.4(6) . . . . ?
C9 C8 C18 C19 28.5(8) . . . . ?
C7 C8 C18 C19 -154.7(5) . . . . ?
C9 C8 C18 C17 -147.6(6) . . . . ?
C7 C8 C18 C17 29.2(9) . . . . ?
C17 C18 C19 C20 1.8(9) . . . . ?
C8 C18 C19 C20 -174.4(6) . . . . ?
C18 C19 C20 N6 -1.5(10) . . . . ?
N7 C21 C22 C23 1.8(9) . . . . ?
C21 C22 C23 C24 -1.2(9) . . . . ?
C22 C23 C24 C25 0.2(9) . . . . ?
C23 C24 C25 N7 0.3(8) . . . . ?
C23 C24 C25 C26 -178.4(5) . . . . ?
N7 C25 C26 N8 7.7(7) . . . . ?
C24 C25 C26 N8 -173.4(5) . . . . ?
N7 C25 C26 C27 -169.6(5) . . . . ?
C24 C25 C26 C27 9.2(9) . . . . ?
N8 C26 C27 C28 0.7(8) . . . . ?
C25 C26 C27 C28 178.0(5) . . . . ?
C26 C27 C28 C29 1.3(8) . . . . ?
C26 C27 C28 C33 -176.4(5) . . . . ?
C27 C28 C29 C30 -2.3(8) . . . . ?
C33 C28 C29 C30 175.3(5) . . . . ?
C28 C29 C30 N8 1.3(8) . . . . ?
C28 C29 C30 C36 -175.2(5) . . . . ?
N10 C31 C32 C33 -0.2(14) . . . . ?
C31 C32 C33 C34 -1.0(11) . . . . ?
C31 C32 C33 C28 176.6(7) . . . . ?
C27 C28 C33 C32 -25.6(8) . . . . ?
C29 C28 C33 C32 156.8(6) . . . . ?
C27 C28 C33 C34 151.9(6) . . . . ?
C29 C28 C33 C34 -25.7(8) . . . . ?
C32 C33 C34 C35 1.2(10) . . . . ?
C28 C33 C34 C35 -176.4(6) . . . . ?
C33 C34 C35 N10 -0.2(12) . . . . ?
N8 C30 C36 N9 -5.4(7) . . . . ?
C29 C30 C36 N9 171.2(5) . . . . ?
N8 C30 C36 C37 175.6(5) . . . . ?
C29 C30 C36 C37 -7.7(9) . . . . ?
N9 C36 C37 C38 -0.4(9) . . . . ?
C30 C36 C37 C38 178.5(5) . . . . ?
C36 C37 C38 C39 0.9(9) . . . . ?
C37 C38 C39 C40 -1.7(10) . . . . ?
C38 C39 C40 N9 2.0(10) . . . . ?
C4 C5 N3 C1 2.8(8) . . . . ?
C6 C5 N3 C1 179.3(5) . . . . ?
C4 C5 N3 Zn1 -173.7(5) . . . . ?
C6 C5 N3 Zn1 2.8(6) . . . . ?
C2 C1 N3 C5 -1.3(8) . . . . ?
C2 C1 N3 Zn1 174.7(4) . . . . ?
C7 C6 N4 C10 0.6(8) . . . . ?
C5 C6 N4 C10 -177.8(5) . . . . ?
C7 C6 N4 Zn1 169.9(4) . . . . ?
C5 C6 N4 Zn1 -8.5(6) . . . . ?
C9 C10 N4 C6 0.1(8) . . . . ?
C11 C10 N4 C6 176.3(5) . . . . ?
C9 C10 N4 Zn1 -169.3(4) . . . . ?
C11 C10 N4 Zn1 6.8(6) . . . . ?
C14 C15 N5 C11 -2.5(8) . . . . ?
C14 C15 N5 Zn1 -179.8(5) . . . . ?
C12 C11 N5 C15 3.4(8) . . . . ?
C10 C11 N5 C15 -176.8(5) . . . . ?
C12 C11 N5 Zn1 -179.0(4) . . . . ?
C10 C11 N5 Zn1 0.8(6) . . . . ?
C17 C16 N6 C20 1.1(11) . . . . ?
C19 C20 N6 C16 0.1(10) . . . . ?
C22 C21 N7 C25 -1.3(8) . . . . ?
C22 C21 N7 Zn1 -179.3(4) . . . . ?
C24 C25 N7 C21 0.2(8) . . . . ?
C26 C25 N7 C21 179.0(5) . . . . ?
C24 C25 N7 Zn1 178.5(4) . . . . ?
C26 C25 N7 Zn1 -2.7(6) . . . . ?
C27 C26 N8 C30 -1.8(8) . . . . ?
C25 C26 N8 C30 -179.2(4) . . . . ?
C27 C26 N8 Zn1 168.2(4) . . . . ?
C25 C26 N8 Zn1 -9.3(6) . . . . ?
C29 C30 N8 C26 0.7(8) . . . . ?
C36 C30 N8 C26 177.6(5) . . . . ?
C29 C30 N8 Zn1 -169.3(4) . . . . ?
C36 C30 N8 Zn1 7.6(6) . . . . ?
C39 C40 N9 C36 -1.5(9) . . . . ?
C39 C40 N9 Zn1 179.4(4) . . . . ?
C37 C36 N9 C40 0.7(8) . . . . ?
C30 C36 N9 C40 -178.3(5) . . . . ?
C37 C36 N9 Zn1 179.9(4) . . . . ?
C30 C36 N9 Zn1 0.9(6) . . . . ?
C34 C35 N10 C31 -1.0(13) . . . . ?
C32 C31 N10 C35 1.3(14) . . . . ?

_refine_diff_density_max         0.314
_refine_diff_density_min         -0.338
_refine_diff_density_rms         0.043



####################################################################### 
# 
# 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_y_sq
_database_code_depnum_ccdc_archive 'CCDC 1940334'
loop_
_audit_author_name
_audit_author_address
'xinda yang'
;huaihai university
China
;
_audit_update_record             
;
2021-01-22 deposited with the CCDC.	2021-01-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            tpyRu
_chemical_melting_point          ?
_chemical_formula_moiety         
'C35 H25 N7 Ru, 2(F6 P) [+7(C H4 O) +3(C2 H3 N)]'
_chemical_formula_sum            'C48 H62 F12 N10 O7 P2 Ru'
_chemical_formula_weight         1282.08

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'
Ru Ru -1.2594 0.8363 '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'
F F 0.0171 0.0103 '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'

_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                   9.053(7)
_cell_length_b                   12.444(10)
_cell_length_c                   21.163(17)
_cell_angle_alpha                84.573(13)
_cell_angle_beta                 83.905(12)
_cell_angle_gamma                89.958(12)
_cell_volume                     2360(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1463
_cell_measurement_theta_min      2.249
_cell_measurement_theta_max      19.400

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_F_000             1316
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.260
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    0.516
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.682
_exptl_absorpt_correction_T_max  0.952
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11750
_diffrn_reflns_av_unetI/netI     0.1989
_diffrn_reflns_av_R_equivalents  0.0794
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.644
_diffrn_reflns_theta_max         25.008
_diffrn_reflns_theta_full        25.008
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measured_fraction_theta_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_point_group_measured_fraction_full 0.978
_reflns_number_total             8143
_reflns_number_gt                3675
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SMART(Bruker, 2000)'
_computing_cell_refinement       'SMART(Bruker, 2000)'
_computing_data_reduction        'SMART(Bruker, 2000)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'SHELXTL, DIAMOND 3.0'
_computing_publication_material  SHELXTL
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2016/6 (Sheldrick 2016)'
_refine_ls_extinction_coef       0.0056(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8143
_refine_ls_number_parameters     518
_refine_ls_number_restraints     78
_refine_ls_R_factor_all          0.1913
_refine_ls_R_factor_gt           0.1276
_refine_ls_wR_factor_ref         0.3727
_refine_ls_wR_factor_gt          0.3285
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.002

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.34697(11) 0.06353(8) 0.26643(5) 0.0515(4) Uani 1 1 d . . . . .
C1 C 0.6315(14) -0.0723(11) 0.2522(7) 0.066(4) Uani 1 1 d . . . . .
H1 H 0.593588 -0.098473 0.217426 0.080 Uiso 1 1 calc R U . . .
C2 C 0.7617(17) -0.1147(12) 0.2651(9) 0.085(5) Uani 1 1 d . . . . .
H2 H 0.815145 -0.157716 0.237342 0.101 Uiso 1 1 calc R U . . .
C3 C 0.814(2) -0.0922(15) 0.3213(9) 0.104(6) Uani 1 1 d . U . . .
H3 H 0.898054 -0.125558 0.335100 0.125 Uiso 1 1 calc R U . . .
C4 C 0.7333(15) -0.0154(13) 0.3579(7) 0.079(4) Uani 1 1 d . . . . .
H4 H 0.770269 0.006665 0.393972 0.095 Uiso 1 1 calc R U . . .
C5 C 0.5934(16) 0.0281(11) 0.3384(7) 0.068(4) Uani 1 1 d . . . . .
C6 C 0.4993(15) 0.1033(11) 0.3803(7) 0.067(4) Uani 1 1 d . . . . .
C7 C 0.528(2) 0.1486(15) 0.4303(9) 0.097(5) Uani 1 1 d . U . . .
H7 H 0.616539 0.134862 0.447923 0.116 Uiso 1 1 calc R U . . .
C8 C 0.425(2) 0.2175(16) 0.4569(10) 0.106(6) Uani 1 1 d . . . . .
H8 H 0.440695 0.247672 0.494309 0.127 Uiso 1 1 calc R U . . .
C9 C 0.306(2) 0.2396(16) 0.4286(11) 0.115(7) Uani 1 1 d . . . . .
H9 H 0.237350 0.285778 0.447430 0.138 Uiso 1 1 calc R U . . .
C10 C 0.2741(18) 0.1992(13) 0.3726(8) 0.079(5) Uani 1 1 d . . . . .
C11 C 0.1438(15) 0.2075(10) 0.3355(7) 0.062(4) Uani 1 1 d . . . . .
C12 C 0.025(2) 0.2640(14) 0.3573(10) 0.099(5) Uani 1 1 d . . . . .
H12 H 0.020763 0.293561 0.396177 0.119 Uiso 1 1 calc R U . . .
C13 C -0.095(2) 0.2767(13) 0.3184(11) 0.108(6) Uani 1 1 d . . . . .
H13 H -0.173341 0.322284 0.328486 0.129 Uiso 1 1 calc R U . . .
C14 C -0.090(2) 0.2178(15) 0.2637(10) 0.111(6) Uani 1 1 d . . . . .
H14 H -0.170739 0.217423 0.239810 0.133 Uiso 1 1 calc R U . . .
C15 C 0.0392(14) 0.1602(10) 0.2471(8) 0.067(4) Uani 1 1 d . . . . .
H15 H 0.045529 0.125542 0.209924 0.081 Uiso 1 1 calc R U . . .
C16 C 0.5102(15) 0.2775(11) 0.2113(8) 0.073(4) Uani 1 1 d . . . . .
H16 H 0.521274 0.289512 0.253300 0.088 Uiso 1 1 calc R U . . .
C17 C 0.5660(18) 0.3514(13) 0.1639(10) 0.086(5) Uani 1 1 d . . . . .
H17 H 0.613774 0.413065 0.173393 0.104 Uiso 1 1 calc R U . . .
C18 C 0.5526(19) 0.3357(11) 0.1049(12) 0.100(6) Uani 1 1 d . . . . .
H18 H 0.594274 0.386361 0.072906 0.120 Uiso 1 1 calc R U . . .
C19 C 0.4782(18) 0.2461(12) 0.0871(8) 0.084(5) Uani 1 1 d . . . . .
H19 H 0.466804 0.236484 0.044843 0.100 Uiso 1 1 calc R U . . .
C20 C 0.4211(15) 0.1701(11) 0.1397(7) 0.065(4) Uani 1 1 d . . . . .
C21 C 0.3446(13) 0.0703(9) 0.1277(6) 0.051(3) Uani 1 1 d . . . . .
C22 C 0.3042(15) 0.0415(10) 0.0730(6) 0.060(3) Uani 1 1 d . . . . .
H22 H 0.331009 0.084040 0.034991 0.071 Uiso 1 1 calc R U . . .
C23 C 0.2202(13) -0.0542(11) 0.0730(6) 0.057(3) Uani 1 1 d . . . . .
C24 C 0.1927(12) -0.1185(10) 0.1316(6) 0.051(3) Uani 1 1 d . . . . .
H24 H 0.147027 -0.185658 0.132749 0.061 Uiso 1 1 calc R U . . .
C25 C 0.2311(14) -0.0844(9) 0.1855(6) 0.052(3) Uani 1 1 d . . . . .
C26 C 0.2103(13) -0.1398(10) 0.2503(7) 0.060(3) Uani 1 1 d . . . . .
C27 C 0.1416(16) -0.2476(11) 0.2644(8) 0.077(4) Uani 1 1 d . . . . .
H27 H 0.113355 -0.285474 0.231785 0.092 Uiso 1 1 calc R U . . .
C28 C 0.1195(17) -0.2920(10) 0.3279(8) 0.071(4) Uani 1 1 d . . . . .
H28 H 0.073160 -0.358739 0.339050 0.085 Uiso 1 1 calc R U . . .
C29 C 0.1690(18) -0.2331(13) 0.3727(7) 0.082(5) Uani 1 1 d . . . . .
H29 H 0.162916 -0.263142 0.414845 0.098 Uiso 1 1 calc R U . . .
C30 C 0.2268(15) -0.1319(12) 0.3579(7) 0.064(4) Uani 1 1 d . . . . .
H30 H 0.254128 -0.093803 0.390636 0.076 Uiso 1 1 calc R U . . .
C31 C 0.177(2) -0.0844(13) -0.1006(8) 0.093(6) Uani 1 1 d . . . . .
H31 H 0.216798 -0.051604 -0.140085 0.112 Uiso 1 1 calc R U . . .
C32 C 0.237(2) -0.0475(14) -0.0466(8) 0.101(6) Uani 1 1 d . . . . .
H32 H 0.314940 0.001786 -0.050248 0.121 Uiso 1 1 calc R U . . .
C33 C 0.1683(16) -0.0909(11) 0.0115(6) 0.062(4) Uani 1 1 d . . . . .
C34 C 0.0607(18) -0.1610(13) 0.0112(8) 0.086(5) Uani 1 1 d . U . . .
H34 H 0.011908 -0.187844 0.050367 0.103 Uiso 1 1 calc R U . . .
C35 C 0.014(2) -0.1976(14) -0.0426(9) 0.097(6) Uani 1 1 d . . . . .
H35 H -0.059352 -0.250335 -0.039842 0.116 Uiso 1 1 calc R U . . .
N1 N 0.5461(11) 0.0004(7) 0.2801(4) 0.047(2) Uani 1 1 d . U . . .
N2 N 0.3723(13) 0.1259(9) 0.3489(6) 0.073(3) Uani 1 1 d . . . . .
N3 N 0.1519(14) 0.1529(10) 0.2816(7) 0.086(4) Uani 1 1 d . U . . .
N4 N 0.4395(12) 0.1877(9) 0.2004(6) 0.066(3) Uani 1 1 d . . . . .
N5 N 0.3082(11) 0.0075(8) 0.1827(5) 0.054(3) Uani 1 1 d . . . . .
N6 N 0.2455(11) -0.0856(8) 0.2987(5) 0.052(3) Uani 1 1 d . . . . .
N7 N 0.0822(17) -0.1529(13) -0.1021(8) 0.100(5) Uani 1 1 d . . . . .
P1 P 0.000000 1.000000 0.500000 0.0722(16) Uani 1 2 d S . P . .
P2 P 0.6035(5) 0.7163(4) 0.1083(2) 0.0869(13) Uani 1 1 d . . . . .
P3 P 0.000000 0.500000 0.500000 0.137(3) Uani 1 2 d S U P . .
F1 F 0.1737(12) 0.9753(10) 0.4951(4) 0.116(3) Uani 1 1 d . U . . .
F2 F 0.0165(10) 1.0273(8) 0.4251(4) 0.094(3) Uani 1 1 d . . . . .
F3 F -0.0377(15) 0.8803(9) 0.4904(5) 0.141(5) Uani 1 1 d . . . . .
F4 F 0.4867(17) 0.7227(14) 0.1697(7) 0.189(6) Uani 1 1 d . . . . .
F5 F 0.558(2) 0.8357(14) 0.0872(10) 0.229(8) Uani 1 1 d . U . . .
F6 F 0.7036(15) 0.7242(12) 0.0430(6) 0.158(5) Uani 1 1 d . . . . .
F7 F 0.656(3) 0.6082(12) 0.1299(12) 0.290(12) Uani 1 1 d . . . . .
F8 F 0.480(2) 0.6726(16) 0.0742(8) 0.220(7) Uani 1 1 d . U . . .
F9 F 0.7298(17) 0.7614(13) 0.1394(6) 0.176(6) Uani 1 1 d . U . . .
F10 F 0.070(2) 0.4929(12) 0.4362(8) 0.205(7) Uani 1 1 d . U . . .
F11 F -0.103(3) 0.3993(17) 0.4872(9) 0.238(8) Uani 1 1 d . U . . .
F12 F 0.093(2) 0.3987(13) 0.5255(8) 0.204(7) Uani 1 1 d . U . . .


_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 N1 2.004(10) . ?
Ru1 N2 2.011(12) . ?
Ru1 N5 2.029(9) . ?
Ru1 N4 2.094(10) . ?
Ru1 N3 2.098(14) . ?
Ru1 N6 2.094(10) . ?
C1 N1 1.330(16) . ?
C1 C2 1.336(18) . ?
C1 H1 0.9300 . ?
C2 C3 1.38(2) . ?
C2 H2 0.9300 . ?
C3 C4 1.44(2) . ?
C3 H3 0.9300 . ?
C4 C5 1.461(19) . ?
C4 H4 0.9300 . ?
C5 N1 1.421(16) . ?
C5 C6 1.543(19) . ?
C6 C7 1.29(2) . ?
C6 N2 1.403(17) . ?
C7 C8 1.38(2) . ?
C7 H7 0.9300 . ?
C8 C9 1.31(2) . ?
C8 H8 0.9300 . ?
C9 C10 1.39(2) . ?
C9 H9 0.9300 . ?
C10 N2 1.365(18) . ?
C10 C11 1.48(2) . ?
C11 N3 1.379(18) . ?
C11 C12 1.35(2) . ?
C12 C13 1.43(2) . ?
C12 H12 0.9300 . ?
C13 C14 1.42(2) . ?
C13 H13 0.9300 . ?
C14 C15 1.40(2) . ?
C14 H14 0.9300 . ?
C15 N3 1.313(17) . ?
C15 H15 0.9300 . ?
C16 N4 1.339(16) . ?
C16 C17 1.35(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.30(2) . ?
C17 H17 0.9300 . ?
C18 C19 1.40(2) . ?
C18 H18 0.9300 . ?
C19 C20 1.442(19) . ?
C19 H19 0.9300 . ?
C20 N4 1.351(17) . ?
C20 C21 1.479(17) . ?
C21 C22 1.330(17) . ?
C21 N5 1.350(15) . ?
C22 C23 1.413(17) . ?
C22 H22 0.9300 . ?
C23 C24 1.410(16) . ?
C23 C33 1.539(16) . ?
C24 C25 1.333(16) . ?
C24 H24 0.9300 . ?
C25 N5 1.333(14) . ?
C25 C26 1.468(17) . ?
C26 N6 1.343(16) . ?
C26 C27 1.470(18) . ?
C27 C28 1.40(2) . ?
C27 H27 0.9300 . ?
C28 C29 1.36(2) . ?
C28 H28 0.9300 . ?
C29 C30 1.360(19) . ?
C29 H29 0.9300 . ?
C30 N6 1.323(15) . ?
C30 H30 0.9300 . ?
C31 N7 1.217(19) . ?
C31 C32 1.43(2) . ?
C31 H31 0.9300 . ?
C32 C33 1.38(2) . ?
C32 H32 0.9300 . ?
C33 C34 1.308(19) . ?
C34 C35 1.37(2) . ?
C34 H34 0.9300 . ?
C35 N7 1.41(2) . ?
C35 H35 0.9300 . ?
P1 F2 1.581(8) 2_576 ?
P1 F2 1.581(8) . ?
P1 F3 1.566(10) 2_576 ?
P1 F3 1.566(10) . ?
P1 F1 1.597(10) . ?
P1 F1 1.597(10) 2_576 ?
P2 F7 1.474(14) . ?
P2 F9 1.513(13) . ?
P2 F8 1.523(16) . ?
P2 F6 1.564(13) . ?
P2 F4 1.595(14) . ?
P2 F5 1.577(17) . ?
P3 F10 1.441(14) 2_566 ?
P3 F10 1.441(14) . ?
P3 F11 1.62(2) 2_566 ?
P3 F11 1.62(2) . ?
P3 F12 1.600(17) 2_566 ?
P3 F12 1.600(17) . ?

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 Ru1 N2 82.3(4) . . ?
N1 Ru1 N5 101.9(4) . . ?
N2 Ru1 N5 175.8(4) . . ?
N1 Ru1 N4 92.8(4) . . ?
N2 Ru1 N4 100.6(5) . . ?
N5 Ru1 N4 78.7(5) . . ?
N1 Ru1 N3 159.9(5) . . ?
N2 Ru1 N3 77.6(5) . . ?
N5 Ru1 N3 98.2(5) . . ?
N4 Ru1 N3 90.2(4) . . ?
N1 Ru1 N6 90.0(4) . . ?
N2 Ru1 N6 102.0(4) . . ?
N5 Ru1 N6 78.8(4) . . ?
N4 Ru1 N6 157.5(4) . . ?
N3 Ru1 N6 94.8(4) . . ?
N1 C1 C2 131.7(14) . . ?
N1 C1 H1 114.1 . . ?
C2 C1 H1 114.2 . . ?
C1 C2 C3 117.3(16) . . ?
C1 C2 H2 121.4 . . ?
C3 C2 H2 121.4 . . ?
C4 C3 C2 117.8(17) . . ?
C4 C3 H3 121.1 . . ?
C2 C3 H3 121.1 . . ?
C3 C4 C5 120.0(14) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
N1 C5 C4 118.8(12) . . ?
N1 C5 C6 120.7(12) . . ?
C4 C5 C6 120.5(12) . . ?
C7 C6 N2 123.2(15) . . ?
C7 C6 C5 131.2(15) . . ?
N2 C6 C5 105.2(12) . . ?
C6 C7 C8 119.2(17) . . ?
C6 C7 H7 120.4 . . ?
C8 C7 H7 120.4 . . ?
C9 C8 C7 119(2) . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
C8 C9 C10 125(2) . . ?
C8 C9 H9 117.6 . . ?
C10 C9 H9 117.6 . . ?
C9 C10 N2 115.7(15) . . ?
C9 C10 C11 133.5(16) . . ?
N2 C10 C11 110.2(15) . . ?
N3 C11 C12 124.5(14) . . ?
N3 C11 C10 116.6(13) . . ?
C12 C11 C10 118.9(15) . . ?
C13 C12 C11 117.5(18) . . ?
C13 C12 H12 121.2 . . ?
C11 C12 H12 121.2 . . ?
C12 C13 C14 118.3(17) . . ?
C12 C13 H13 120.8 . . ?
C14 C13 H13 120.8 . . ?
C15 C14 C13 117.8(17) . . ?
C15 C14 H14 121.1 . . ?
C13 C14 H14 121.1 . . ?
N3 C15 C14 123.3(17) . . ?
N3 C15 H15 118.4 . . ?
C14 C15 H15 118.3 . . ?
N4 C16 C17 122.7(15) . . ?
N4 C16 H16 118.7 . . ?
C17 C16 H16 118.7 . . ?
C18 C17 C16 119.6(15) . . ?
C18 C17 H17 120.2 . . ?
C16 C17 H17 120.2 . . ?
C17 C18 C19 123.3(17) . . ?
C17 C18 H18 118.3 . . ?
C19 C18 H18 118.3 . . ?
C20 C19 C18 114.5(16) . . ?
C20 C19 H19 122.7 . . ?
C18 C19 H19 122.7 . . ?
N4 C20 C19 120.7(12) . . ?
N4 C20 C21 119.1(12) . . ?
C19 C20 C21 120.2(13) . . ?
C22 C21 N5 120.2(11) . . ?
C22 C21 C20 128.9(12) . . ?
N5 C21 C20 110.8(11) . . ?
C21 C22 C23 119.6(12) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C22 C23 C24 116.9(11) . . ?
C22 C23 C33 122.0(12) . . ?
C24 C23 C33 120.9(11) . . ?
C25 C24 C23 121.0(11) . . ?
C25 C24 H24 119.5 . . ?
C23 C24 H24 119.5 . . ?
C24 C25 N5 119.0(11) . . ?
C24 C25 C26 128.3(11) . . ?
N5 C25 C26 112.5(11) . . ?
N6 C26 C25 118.0(10) . . ?
N6 C26 C27 119.2(12) . . ?
C25 C26 C27 122.6(13) . . ?
C28 C27 C26 118.7(14) . . ?
C28 C27 H27 120.6 . . ?
C26 C27 H27 120.6 . . ?
C29 C28 C27 117.1(13) . . ?
C29 C28 H28 121.5 . . ?
C27 C28 H28 121.5 . . ?
C30 C29 C28 122.2(14) . . ?
C30 C29 H29 118.9 . . ?
C28 C29 H29 118.9 . . ?
N6 C30 C29 122.4(13) . . ?
N6 C30 H30 118.8 . . ?
C29 C30 H30 118.8 . . ?
N7 C31 C32 128.9(17) . . ?
N7 C31 H31 115.6 . . ?
C32 C31 H31 115.5 . . ?
C33 C32 C31 114.4(14) . . ?
C33 C32 H32 122.8 . . ?
C31 C32 H32 122.8 . . ?
C34 C33 C32 117.8(13) . . ?
C34 C33 C23 123.4(13) . . ?
C32 C33 C23 118.9(12) . . ?
C33 C34 C35 124.9(16) . . ?
C33 C34 H34 117.6 . . ?
C35 C34 H34 117.6 . . ?
C34 C35 N7 117.8(14) . . ?
C34 C35 H35 121.1 . . ?
N7 C35 H35 121.1 . . ?
C1 N1 C5 113.7(11) . . ?
C1 N1 Ru1 134.3(8) . . ?
C5 N1 Ru1 111.1(8) . . ?
C10 N2 C6 118.2(13) . . ?
C10 N2 Ru1 120.9(10) . . ?
C6 N2 Ru1 120.6(10) . . ?
C15 N3 C11 118.0(14) . . ?
C15 N3 Ru1 128.0(12) . . ?
C11 N3 Ru1 113.9(9) . . ?
C20 N4 C16 119.1(12) . . ?
C20 N4 Ru1 112.2(9) . . ?
C16 N4 Ru1 128.7(11) . . ?
C21 N5 C25 122.8(10) . . ?
C21 N5 Ru1 119.0(8) . . ?
C25 N5 Ru1 117.6(9) . . ?
C30 N6 C26 120.0(11) . . ?
C30 N6 Ru1 127.5(9) . . ?
C26 N6 Ru1 112.1(8) . . ?
C31 N7 C35 116.0(15) . . ?
F2 P1 F2 180.0(6) 2_576 . ?
F2 P1 F3 89.1(5) 2_576 2_576 ?
F2 P1 F3 90.9(5) . 2_576 ?
F2 P1 F3 90.9(5) 2_576 . ?
F2 P1 F3 89.1(5) . . ?
F3 P1 F3 180.0 2_576 . ?
F2 P1 F1 91.7(5) 2_576 . ?
F2 P1 F1 88.3(5) . . ?
F3 P1 F1 88.4(7) 2_576 . ?
F3 P1 F1 91.6(7) . . ?
F2 P1 F1 88.3(5) 2_576 2_576 ?
F2 P1 F1 91.7(5) . 2_576 ?
F3 P1 F1 91.6(7) 2_576 2_576 ?
F3 P1 F1 88.4(7) . 2_576 ?
F1 P1 F1 180.0 . 2_576 ?
F7 P2 F9 87.0(12) . . ?
F7 P2 F8 93.9(13) . . ?
F9 P2 F8 177.6(9) . . ?
F7 P2 F6 94.5(11) . . ?
F9 P2 F6 89.8(8) . . ?
F8 P2 F6 88.0(9) . . ?
F7 P2 F4 93.9(11) . . ?
F9 P2 F4 93.5(9) . . ?
F8 P2 F4 88.6(9) . . ?
F6 P2 F4 171.1(9) . . ?
F7 P2 F5 175.5(13) . . ?
F9 P2 F5 88.5(10) . . ?
F8 P2 F5 90.6(11) . . ?
F6 P2 F5 85.1(9) . . ?
F4 P2 F5 86.8(10) . . ?
F10 P3 F10 180.0 2_566 . ?
F10 P3 F11 86.0(9) 2_566 2_566 ?
F10 P3 F11 94.0(10) . 2_566 ?
F10 P3 F11 94.0(10) 2_566 . ?
F10 P3 F11 86.0(9) . . ?
F11 P3 F11 180.0(13) 2_566 . ?
F10 P3 F12 90.2(8) 2_566 2_566 ?
F10 P3 F12 89.8(8) . 2_566 ?
F11 P3 F12 78.1(10) 2_566 2_566 ?
F11 P3 F12 101.9(10) . 2_566 ?
F10 P3 F12 89.8(8) 2_566 . ?
F10 P3 F12 90.2(8) . . ?
F11 P3 F12 101.9(10) 2_566 . ?
F11 P3 F12 78.1(10) . . ?
F12 P3 F12 180.0 2_566 . ?

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 9(3) . . . . ?
C1 C2 C3 C4 -7(2) . . . . ?
C2 C3 C4 C5 6(3) . . . . ?
C3 C4 C5 N1 -5(2) . . . . ?
C3 C4 C5 C6 174.9(14) . . . . ?
N1 C5 C6 C7 -170.9(16) . . . . ?
C4 C5 C6 C7 9(2) . . . . ?
N1 C5 C6 N2 2.4(17) . . . . ?
C4 C5 C6 N2 -177.9(12) . . . . ?
N2 C6 C7 C8 4(3) . . . . ?
C5 C6 C7 C8 176.6(16) . . . . ?
C6 C7 C8 C9 -4(3) . . . . ?
C7 C8 C9 C10 -1(3) . . . . ?
C8 C9 C10 N2 4(3) . . . . ?
C8 C9 C10 C11 175.1(18) . . . . ?
C9 C10 C11 N3 -178.5(17) . . . . ?
N2 C10 C11 N3 -7.4(18) . . . . ?
C9 C10 C11 C12 -1(3) . . . . ?
N2 C10 C11 C12 170.5(13) . . . . ?
N3 C11 C12 C13 -6(2) . . . . ?
C10 C11 C12 C13 175.8(14) . . . . ?
C11 C12 C13 C14 8(3) . . . . ?
C12 C13 C14 C15 -7(3) . . . . ?
C13 C14 C15 N3 4(3) . . . . ?
N4 C16 C17 C18 0(3) . . . . ?
C16 C17 C18 C19 2(3) . . . . ?
C17 C18 C19 C20 -2(3) . . . . ?
C18 C19 C20 N4 0(2) . . . . ?
C18 C19 C20 C21 -178.0(13) . . . . ?
N4 C20 C21 C22 173.9(13) . . . . ?
C19 C20 C21 C22 -8(2) . . . . ?
N4 C20 C21 N5 -2.3(17) . . . . ?
C19 C20 C21 N5 176.2(12) . . . . ?
N5 C21 C22 C23 1.3(19) . . . . ?
C20 C21 C22 C23 -174.6(12) . . . . ?
C21 C22 C23 C24 -4.3(19) . . . . ?
C21 C22 C23 C33 179.1(12) . . . . ?
C22 C23 C24 C25 6.7(18) . . . . ?
C33 C23 C24 C25 -176.6(12) . . . . ?
C23 C24 C25 N5 -5.9(19) . . . . ?
C23 C24 C25 C26 179.6(12) . . . . ?
C24 C25 C26 N6 -174.0(12) . . . . ?
N5 C25 C26 N6 11.2(17) . . . . ?
C24 C25 C26 C27 1(2) . . . . ?
N5 C25 C26 C27 -173.9(12) . . . . ?
N6 C26 C27 C28 -2.1(19) . . . . ?
C25 C26 C27 C28 -176.9(13) . . . . ?
C26 C27 C28 C29 -2(2) . . . . ?
C27 C28 C29 C30 5(2) . . . . ?
C28 C29 C30 N6 -3(2) . . . . ?
N7 C31 C32 C33 -5(3) . . . . ?
C31 C32 C33 C34 1(3) . . . . ?
C31 C32 C33 C23 -178.2(14) . . . . ?
C22 C23 C33 C34 -161.5(15) . . . . ?
C24 C23 C33 C34 22(2) . . . . ?
C22 C23 C33 C32 18(2) . . . . ?
C24 C23 C33 C32 -158.6(15) . . . . ?
C32 C33 C34 C35 3(3) . . . . ?
C23 C33 C34 C35 -178.1(16) . . . . ?
C33 C34 C35 N7 -3(3) . . . . ?
C2 C1 N1 C5 -9(2) . . . . ?
C2 C1 N1 Ru1 -176.9(13) . . . . ?
C4 C5 N1 C1 6.0(17) . . . . ?
C6 C5 N1 C1 -174.3(12) . . . . ?
C4 C5 N1 Ru1 177.0(10) . . . . ?
C6 C5 N1 Ru1 -3.3(14) . . . . ?
C9 C10 N2 C6 -4(2) . . . . ?
C11 C10 N2 C6 -176.7(12) . . . . ?
C9 C10 N2 Ru1 -177.7(11) . . . . ?
C11 C10 N2 Ru1 9.4(16) . . . . ?
C7 C6 N2 C10 0(2) . . . . ?
C5 C6 N2 C10 -174.3(12) . . . . ?
C7 C6 N2 Ru1 173.6(13) . . . . ?
C5 C6 N2 Ru1 -0.4(14) . . . . ?
C14 C15 N3 C11 -2(2) . . . . ?
C14 C15 N3 Ru1 176.2(12) . . . . ?
C12 C11 N3 C15 3(2) . . . . ?
C10 C11 N3 C15 -178.9(12) . . . . ?
C12 C11 N3 Ru1 -175.2(12) . . . . ?
C10 C11 N3 Ru1 2.6(16) . . . . ?
C19 C20 N4 C16 1(2) . . . . ?
C21 C20 N4 C16 179.3(12) . . . . ?
C19 C20 N4 Ru1 -179.4(11) . . . . ?
C21 C20 N4 Ru1 -1.0(15) . . . . ?
C17 C16 N4 C20 -1(2) . . . . ?
C17 C16 N4 Ru1 179.5(12) . . . . ?
C22 C21 N5 C25 -0.3(18) . . . . ?
C20 C21 N5 C25 176.2(11) . . . . ?
C22 C21 N5 Ru1 -171.8(10) . . . . ?
C20 C21 N5 Ru1 4.7(13) . . . . ?
C24 C25 N5 C21 2.7(18) . . . . ?
C26 C25 N5 C21 178.0(11) . . . . ?
C24 C25 N5 Ru1 174.3(9) . . . . ?
C26 C25 N5 Ru1 -10.4(14) . . . . ?
C29 C30 N6 C26 -2(2) . . . . ?
C29 C30 N6 Ru1 -174.9(10) . . . . ?
C25 C26 N6 C30 179.1(12) . . . . ?
C27 C26 N6 C30 4.1(18) . . . . ?
C25 C26 N6 Ru1 -6.6(14) . . . . ?
C27 C26 N6 Ru1 178.4(9) . . . . ?
C32 C31 N7 C35 4(3) . . . . ?
C34 C35 N7 C31 0(3) . . . . ?

_refine_diff_density_max         1.095
_refine_diff_density_min         -0.989
_refine_diff_density_rms         0.151




####################################################################### 
# 
# 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_190413a_sq
_database_code_depnum_ccdc_archive 'CCDC 1957691'
loop_
_audit_author_name
_audit_author_address
'xinda yang'
;huaihai university
China
;
_audit_update_record             
;
2021-01-22 deposited with the CCDC.	2021-01-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            RuPt
_chemical_melting_point          ?
_chemical_formula_moiety         
'C50 H36 N10  Pt Ru, 4(F6 P).[+3(C4 H10 O) +2(H2 O)]'
_chemical_formula_sum            'C62 H70 F24 N10 O5 P4 Pt Ru'
_chemical_formula_weight         1911.32

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'
Pt Pt -1.7033 8.3905 '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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_space_group_name_Hall           '-P 2ac 2n'

_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+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'

_cell_length_a                   28.21(2)
_cell_length_b                   59.04(4)
_cell_length_c                   8.653(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     14412(18)
_cell_formula_units_Z            8
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    2562
_cell_measurement_theta_min      2.388
_cell_measurement_theta_max      26.257

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.762
_exptl_crystal_F_000             7600
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    2.355
_shelx_estimated_absorpt_T_min   0.625
_shelx_estimated_absorpt_T_max   0.912
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6247
_exptl_absorpt_correction_T_max  0.9115
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      298(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            71293
_diffrn_reflns_av_unetI/netI     0.2701
_diffrn_reflns_av_R_equivalents  0.2189
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_k_max       70
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_theta_min         2.571
_diffrn_reflns_theta_max         25.019
_diffrn_reflns_theta_full        25.019
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             12790
_reflns_number_gt                3729
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SMART(Bruker, 2000)'
_computing_cell_refinement       'SMART(Bruker, 2000)'
_computing_data_reduction        'SMART(Bruker, 2000)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'SHELXTL, DIAMOND 3.0'
_computing_publication_material  SHELXTL
_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)+(0.0032P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         12790
_refine_ls_number_parameters     850
_refine_ls_number_restraints     707
_refine_ls_R_factor_all          0.2298
_refine_ls_R_factor_gt           0.0882
_refine_ls_wR_factor_ref         0.1332
_refine_ls_wR_factor_gt          0.1158
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_restrained_S_all      1.020
_refine_ls_shift/su_max          0.002
_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
Pt1 Pt -0.10683(2) 0.53381(2) 0.28497(6) 0.0810(2) Uani 1 1 d . . . . .
Ru1 Ru 0.18416(4) 0.65895(2) 0.35411(12) 0.0730(4) Uani 1 1 d . . . . .
N1 N 0.1283(3) 0.67951(18) 0.2769(12) 0.065(3) Uani 1 1 d . U . . .
N2 N 0.1330(5) 0.6359(2) 0.3293(11) 0.069(3) Uani 1 1 d . . . . .
N3 N 0.2163(4) 0.62968(18) 0.4264(11) 0.070(3) Uani 1 1 d . U . . .
N4 N -0.0531(3) 0.55673(17) 0.3023(13) 0.070(3) Uani 1 1 d . U . . .
N5 N 0.1693(6) 0.6701(2) 0.5687(15) 0.096(4) Uani 1 1 d . . . . .
N6 N 0.2345(4) 0.68148(17) 0.3837(16) 0.079(4) Uani 1 1 d . . . . .
N7 N 0.2195(4) 0.65768(19) 0.1472(13) 0.076(3) Uani 1 1 d . U . . .
N8 N -0.1631(4) 0.5553(3) 0.3360(14) 0.101(5) Uani 1 1 d . . . . .
N9 N -0.1583(4) 0.51123(19) 0.2613(13) 0.072(3) Uani 1 1 d . . . . .
N10 N -0.0686(5) 0.50597(19) 0.2293(13) 0.093(4) Uani 1 1 d . . . . .
C1 C 0.1294(5) 0.7018(2) 0.2545(17) 0.095(5) Uani 1 1 d . U . . .
H1 H 0.157630 0.709826 0.265931 0.114 Uiso 1 1 calc R U . . .
C2 C 0.0875(7) 0.7131(2) 0.2135(19) 0.117(6) Uani 1 1 d . U . . .
H2 H 0.087596 0.728881 0.211179 0.140 Uiso 1 1 calc R U . . .
C3 C 0.0460(7) 0.7018(3) 0.176(2) 0.149(7) Uani 1 1 d . U . . .
H3 H 0.020020 0.709358 0.134827 0.179 Uiso 1 1 calc R U . . .
C4 C 0.0452(5) 0.6788(3) 0.2040(17) 0.100(5) Uani 1 1 d . . . . .
H4 H 0.017001 0.670792 0.193222 0.120 Uiso 1 1 calc R U . . .
C5 C 0.0846(6) 0.6681(2) 0.2462(16) 0.081(5) Uani 1 1 d . . . . .
C6 C 0.0887(6) 0.6437(3) 0.2857(15) 0.066(4) Uani 1 1 d . . . . .
C7 C 0.0528(5) 0.6278(3) 0.2767(14) 0.078(4) Uani 1 1 d . . . . .
H7 H 0.023317 0.632655 0.241916 0.093 Uiso 1 1 calc R U . . .
C8 C 0.0579(5) 0.6047(3) 0.3169(13) 0.062(4) Uani 1 1 d . . . . .
C9 C 0.1035(6) 0.5991(2) 0.3675(13) 0.074(4) Uani 1 1 d . . . . .
H9 H 0.108939 0.584284 0.398444 0.089 Uiso 1 1 calc R U . . .
C10 C 0.1415(5) 0.6142(3) 0.3750(14) 0.063(4) Uani 1 1 d . . . . .
C11 C 0.1898(6) 0.6108(2) 0.4291(14) 0.062(4) Uani 1 1 d . . . . .
C12 C 0.2080(5) 0.5899(2) 0.4765(13) 0.072(4) Uani 1 1 d . U . . .
H12 H 0.188604 0.577167 0.482041 0.086 Uiso 1 1 calc R U . . .
C13 C 0.2566(5) 0.5884(2) 0.5160(17) 0.108(6) Uani 1 1 d . U . . .
H13 H 0.270076 0.574457 0.539287 0.130 Uiso 1 1 calc R U . . .
C14 C 0.2834(5) 0.6075(2) 0.5197(16) 0.091(5) Uani 1 1 d . U . . .
H14 H 0.314917 0.606858 0.551309 0.109 Uiso 1 1 calc R U . . .
C15 C 0.2637(5) 0.6276(2) 0.4765(14) 0.076(4) Uani 1 1 d . U . . .
H15 H 0.282407 0.640606 0.480276 0.091 Uiso 1 1 calc R U . . .
C16 C -0.0467(5) 0.5722(2) 0.1866(17) 0.088(5) Uani 1 1 d . U . . .
H16 H -0.067291 0.571697 0.102624 0.106 Uiso 1 1 calc R U . . .
C17 C -0.0116(5) 0.5884(2) 0.1870(16) 0.075(4) Uani 1 1 d . U . . .
H17 H -0.008574 0.598710 0.106571 0.090 Uiso 1 1 calc R U . . .
C18 C 0.0202(5) 0.5887(2) 0.3161(17) 0.067(4) Uani 1 1 d . . . . .
C19 C 0.0143(5) 0.5732(2) 0.4366(17) 0.090(5) Uani 1 1 d . U . . .
H19 H 0.034597 0.572835 0.521290 0.108 Uiso 1 1 calc R U . . .
C20 C -0.0247(4) 0.5582(2) 0.4216(16) 0.086(5) Uani 1 1 d . U . . .
H20 H -0.030590 0.548487 0.504060 0.103 Uiso 1 1 calc R U . . .
C21 C 0.1291(7) 0.6625(3) 0.655(2) 0.105(6) Uani 1 1 d . . . . .
H21 H 0.108970 0.650968 0.621551 0.125 Uiso 1 1 calc R U . . .
C22 C 0.1225(6) 0.6753(3) 0.809(2) 0.127(6) Uani 1 1 d . . . . .
H22 H 0.097958 0.671438 0.875866 0.152 Uiso 1 1 calc R U . . .
C23 C 0.1537(8) 0.6926(4) 0.846(2) 0.177(9) Uani 1 1 d . U . . .
H23 H 0.146916 0.700810 0.934930 0.212 Uiso 1 1 calc R U . . .
C24 C 0.1928(7) 0.6989(3) 0.767(2) 0.134(6) Uani 1 1 d . U . . .
H24 H 0.215256 0.709187 0.802316 0.161 Uiso 1 1 calc R U . . .
C25 C 0.1950(6) 0.6877(3) 0.6228(19) 0.095(5) Uani 1 1 d . U . . .
C26 C 0.2353(6) 0.6941(3) 0.524(2) 0.099(5) Uani 1 1 d . U . . .
C27 C 0.2745(6) 0.7097(2) 0.5360(17) 0.101(5) Uani 1 1 d . U . . .
H27 H 0.276235 0.718449 0.625411 0.121 Uiso 1 1 calc R U . . .
C28 C 0.3097(7) 0.7131(3) 0.427(2) 0.141(7) Uani 1 1 d . U . . .
H28 H 0.335739 0.722363 0.445328 0.169 Uiso 1 1 calc R U . . .
C29 C 0.3037(5) 0.7021(3) 0.296(2) 0.122(6) Uani 1 1 d D . . . .
H29 H 0.324500 0.705443 0.215773 0.147 Uiso 1 1 calc R U . . .
C30 C 0.2679(6) 0.6854(3) 0.267(2) 0.100(6) Uani 1 1 d D U . . .
C31 C 0.2596(6) 0.6707(3) 0.142(3) 0.098(5) Uani 1 1 d . U . . .
C32 C 0.2884(6) 0.6712(3) 0.006(3) 0.106(6) Uani 1 1 d . . . . .
H32 H 0.313389 0.681451 -0.001967 0.127 Uiso 1 1 calc R U . . .
C33 C 0.2792(7) 0.6569(4) -0.110(2) 0.126(7) Uani 1 1 d . . . . .
H33 H 0.299731 0.656539 -0.194590 0.151 Uiso 1 1 calc R U . . .
C34 C 0.2398(7) 0.6425(3) -0.1100(19) 0.109(6) Uani 1 1 d . . . . .
H34 H 0.232766 0.633048 -0.192896 0.130 Uiso 1 1 calc R U . . .
C35 C 0.2119(5) 0.6432(2) 0.023(2) 0.095(5) Uani 1 1 d . . . . .
H35 H 0.186430 0.633215 0.028860 0.114 Uiso 1 1 calc R U . . .
C36 C -0.1623(6) 0.5775(3) 0.3722(17) 0.100(5) Uani 1 1 d . U . . .
H36 H -0.133854 0.585362 0.377376 0.120 Uiso 1 1 calc R U . . .
C37 C -0.2065(6) 0.5886(3) 0.4024(17) 0.105(5) Uani 1 1 d . U . . .
H37 H -0.208537 0.604032 0.423182 0.126 Uiso 1 1 calc R U . . .
C38 C -0.2440(7) 0.5752(3) 0.3983(18) 0.130(7) Uani 1 1 d . U . . .
H38 H -0.272262 0.582418 0.423730 0.156 Uiso 1 1 calc R U . . .
C39 C -0.2489(6) 0.5529(3) 0.3639(17) 0.113(6) Uani 1 1 d . . . . .
H39 H -0.277711 0.545227 0.364304 0.136 Uiso 1 1 calc R U . . .
C40 C -0.2055(7) 0.5429(3) 0.3277(18) 0.098(5) Uani 1 1 d . U . . .
C41 C -0.2014(6) 0.5189(3) 0.2906(17) 0.084(4) Uani 1 1 d . U . . .
C42 C -0.2367(6) 0.5032(3) 0.272(2) 0.128(6) Uani 1 1 d . U . . .
H42 H -0.268107 0.507622 0.282466 0.154 Uiso 1 1 calc R U . . .
C43 C -0.2263(6) 0.4802(3) 0.2364(18) 0.113(5) Uani 1 1 d . U . . .
H43 H -0.250029 0.469269 0.230160 0.135 Uiso 1 1 calc R U . . .
C44 C -0.1784(6) 0.4748(3) 0.2112(19) 0.135(7) Uani 1 1 d . U . . .
H44 H -0.170493 0.459966 0.186598 0.163 Uiso 1 1 calc R U . . .
C45 C -0.1438(5) 0.4902(3) 0.2213(16) 0.080(4) Uani 1 1 d D . . . .
C46 C -0.0932(5) 0.4882(3) 0.2048(18) 0.086(5) Uani 1 1 d D U . . .
C47 C -0.0732(6) 0.4680(3) 0.1625(15) 0.104(5) Uani 1 1 d . U . . .
H47 H -0.092723 0.455845 0.138311 0.124 Uiso 1 1 calc R U . . .
C48 C -0.0236(7) 0.4654(3) 0.1551(18) 0.125(6) Uani 1 1 d . U . . .
H48 H -0.008789 0.451839 0.130407 0.150 Uiso 1 1 calc R U . . .
C49 C 0.0009(5) 0.4852(3) 0.1884(15) 0.090(5) Uani 1 1 d . U . . .
H49 H 0.033835 0.484705 0.187801 0.108 Uiso 1 1 calc R U . . .
C50 C -0.0211(6) 0.5055(2) 0.2225(17) 0.102(5) Uani 1 1 d . . . . .
H50 H -0.003433 0.518548 0.240350 0.122 Uiso 1 1 calc R U . . .
P1 P 0.1099(3) 0.59992(11) 0.8501(7) 0.1444(19) Uani 1 1 d . U . . .
P2 P 0.3795(2) 0.47264(12) 0.8228(7) 0.1431(19) Uani 1 1 d . U . . .
P3 P 0.2266(3) 0.750000 0.0673(11) 0.170(3) Uani 1 2 d DS TU P . .
P4 P 0.3641(3) 0.55396(17) 0.6923(9) 0.187(3) Uani 0.75 1 d D U P . .
P5 P 0.4002(4) 0.64427(17) 0.3169(11) 0.268(4) Uani 0.75 1 d D U P . .
F1 F 0.1394(5) 0.5925(2) 0.9807(15) 0.211(4) Uani 1 1 d . U . . .
F2 F 0.0767(4) 0.61245(19) 0.7148(13) 0.196(3) Uani 1 1 d . U . . .
F3 F 0.0676(4) 0.58641(18) 0.9235(12) 0.193(3) Uani 1 1 d . U . . .
F4 F 0.1142(4) 0.58047(16) 0.7327(11) 0.177(3) Uani 1 1 d . U . . .
F5 F 0.1519(4) 0.61374(15) 0.7741(11) 0.162(3) Uani 1 1 d . U . . .
F6 F 0.0964(4) 0.62180(18) 0.9514(11) 0.193(3) Uani 1 1 d . U . . .
F7 F 0.3353(4) 0.48169(19) 0.9154(12) 0.200(3) Uani 1 1 d . U . . .
F8 F 0.4238(4) 0.46241(19) 0.7375(12) 0.187(3) Uani 1 1 d . U . . .
F9 F 0.3491(4) 0.45154(19) 0.7574(13) 0.188(3) Uani 1 1 d . U . . .
F10 F 0.3857(4) 0.45688(18) 0.9751(12) 0.189(3) Uani 1 1 d . U . . .
F11 F 0.4089(4) 0.4904(2) 0.9078(12) 0.188(3) Uani 1 1 d . U . . .
F12 F 0.3669(4) 0.4864(2) 0.6807(12) 0.198(4) Uani 1 1 d . U . . .
F13 F 0.2260(3) 0.72285(12) 0.0694(11) 0.202(4) Uani 1 1 d D U . . .
F15 F 0.2802(4) 0.750000 0.1164(17) 0.209(5) Uani 1 2 d DS TU P . .
F16 F 0.2101(5) 0.750000 0.2435(13) 0.209(5) Uani 1 2 d DS TU P . .
F17 F 0.1727(4) 0.750000 0.0104(16) 0.216(5) Uani 1 2 d DS TU P . .
F18 F 0.2419(5) 0.750000 -0.1086(14) 0.218(5) Uani 1 2 d DS TU P . .
F19 F 0.3637(4) 0.5717(2) 0.5573(13) 0.209(4) Uani 0.75 1 d D U P . .
F20 F 0.3663(4) 0.5360(2) 0.8243(12) 0.229(5) Uani 0.75 1 d D U P . .
F21 F 0.3252(4) 0.5400(2) 0.6039(13) 0.222(4) Uani 0.75 1 d D U P . .
F22 F 0.3244(4) 0.5669(2) 0.7790(13) 0.229(4) Uani 0.75 1 d D U P . .
F23 F 0.4032(4) 0.5688(2) 0.7764(14) 0.245(5) Uani 0.75 1 d D U P . .
F24 F 0.4027(4) 0.5399(2) 0.6054(13) 0.213(4) Uani 0.75 1 d D U P . .
F25 F 0.3525(5) 0.6408(2) 0.2260(16) 0.280(5) Uani 0.75 1 d D U P . .
F26 F 0.4472(5) 0.6463(2) 0.4139(17) 0.283(5) Uani 0.75 1 d D U P . .
F27 F 0.3897(5) 0.6206(2) 0.3979(16) 0.265(5) Uani 0.75 1 d D U P . .
F28 F 0.3701(5) 0.6552(2) 0.4527(15) 0.274(5) Uani 0.75 1 d D U P . .
F29 F 0.4051(5) 0.6673(2) 0.2445(18) 0.294(5) Uani 0.75 1 d D U P . .
F30 F 0.4261(5) 0.6321(3) 0.1749(15) 0.294(5) Uani 0.75 1 d D U P . .


_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
Pt1 N9 1.982(9) . ?
Pt1 N10 2.024(13) . ?
Pt1 N4 2.037(9) . ?
Pt1 N8 2.079(12) . ?
Ru1 N6 1.963(11) . ?
Ru1 N2 1.993(11) . ?
Ru1 N3 2.049(10) . ?
Ru1 N5 2.014(13) . ?
Ru1 N7 2.051(11) . ?
Ru1 N1 2.097(9) . ?
N1 C1 1.333(13) . ?
N1 C5 1.431(15) . ?
N2 C6 1.383(14) . ?
N2 C10 1.363(14) . ?
N3 C11 1.345(14) . ?
N3 C15 1.412(14) . ?
N4 C20 1.310(13) . ?
N4 C16 1.366(14) . ?
N5 C21 1.431(17) . ?
N5 C25 1.351(16) . ?
N6 C30 1.399(18) . ?
N6 C26 1.427(16) . ?
N7 C35 1.392(15) . ?
N7 C31 1.367(17) . ?
N8 C36 1.348(14) . ?
N8 C40 1.403(17) . ?
N9 C41 1.322(15) . ?
N9 C45 1.351(13) . ?
N10 C46 1.274(15) . ?
N10 C50 1.341(15) . ?
C1 C2 1.403(16) . ?
C1 H1 0.9300 . ?
C2 C3 1.386(19) . ?
C2 H2 0.9300 . ?
C3 C4 1.379(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.331(16) . ?
C4 H4 0.9300 . ?
C5 C6 1.486(16) . ?
C6 C7 1.381(14) . ?
C7 C8 1.417(15) . ?
C7 H7 0.9300 . ?
C8 C18 1.422(16) . ?
C8 C9 1.398(15) . ?
C9 C10 1.395(15) . ?
C9 H9 0.9300 . ?
C10 C11 1.455(16) . ?
C11 C12 1.398(14) . ?
C12 C13 1.414(15) . ?
C12 H12 0.9300 . ?
C13 C14 1.358(15) . ?
C13 H13 0.9300 . ?
C14 C15 1.364(15) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C17 1.379(15) . ?
C16 H16 0.9300 . ?
C17 C18 1.432(15) . ?
C17 H17 0.9300 . ?
C18 C19 1.394(15) . ?
C19 C20 1.420(15) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.544(19) . ?
C21 H21 0.9300 . ?
C22 C23 1.39(2) . ?
C22 H22 0.9300 . ?
C23 C24 1.35(2) . ?
C23 H23 0.9300 . ?
C24 C25 1.412(19) . ?
C24 H24 0.9300 . ?
C25 C26 1.470(18) . ?
C26 C27 1.446(17) . ?
C27 C28 1.38(2) . ?
C27 H27 0.9300 . ?
C28 C29 1.317(18) . ?
C28 H28 0.9300 . ?
C29 C30 1.436(14) . ?
C29 H29 0.9300 . ?
C30 C31 1.41(2) . ?
C31 C32 1.43(2) . ?
C32 C33 1.338(18) . ?
C32 H32 0.9300 . ?
C33 C34 1.400(19) . ?
C33 H33 0.9300 . ?
C34 C35 1.394(16) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?
C36 C37 1.432(17) . ?
C36 H36 0.9300 . ?
C37 C38 1.322(18) . ?
C37 H37 0.9300 . ?
C38 C39 1.358(17) . ?
C38 H38 0.9300 . ?
C39 C40 1.397(18) . ?
C39 H39 0.9300 . ?
C40 C41 1.457(18) . ?
C41 C42 1.370(18) . ?
C42 C43 1.421(17) . ?
C42 H42 0.9300 . ?
C43 C44 1.404(18) . ?
C43 H43 0.9300 . ?
C44 C45 1.337(16) . ?
C44 H44 0.9300 . ?
C45 C46 1.441(14) . ?
C46 C47 1.366(18) . ?
C47 C48 1.411(17) . ?
C47 H47 0.9300 . ?
C48 C49 1.383(17) . ?
C48 H48 0.9300 . ?
C49 C50 1.385(16) . ?
C49 H49 0.9300 . ?
C50 H50 0.9300 . ?
P1 F1 1.471(12) . ?
P1 F4 1.537(9) . ?
P1 F5 1.582(10) . ?
P1 F6 1.607(11) . ?
P1 F3 1.569(11) . ?
P1 F2 1.671(13) . ?
P2 F12 1.517(11) . ?
P2 F11 1.525(11) . ?
P2 F8 1.573(10) . ?
P2 F7 1.576(10) . ?
P2 F10 1.623(11) . ?
P2 F9 1.615(11) . ?
P3 F15 1.569(9) . ?
P3 F13 1.603(7) . ?
P3 F13 1.603(7) 8_575 ?
P3 F18 1.582(9) . ?
P3 F16 1.595(9) . ?
P3 F17 1.599(9) . ?
P4 F22 1.552(8) . ?
P4 F20 1.559(8) . ?
P4 F24 1.561(8) . ?
P4 F23 1.586(8) . ?
P4 F19 1.568(8) . ?
P4 F21 1.572(8) . ?
P5 F29 1.501(15) . ?
P5 F25 1.573(9) . ?
P5 F26 1.573(9) . ?
P5 F28 1.587(7) . ?
P5 F30 1.598(9) . ?
P5 F27 1.591(9) . ?

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
N9 Pt1 N10 79.6(5) . . ?
N9 Pt1 N4 178.1(5) . . ?
N10 Pt1 N4 99.3(5) . . ?
N9 Pt1 N8 82.7(5) . . ?
N10 Pt1 N8 162.3(6) . . ?
N4 Pt1 N8 98.5(5) . . ?
N6 Ru1 N2 178.7(5) . . ?
N6 Ru1 N3 102.2(5) . . ?
N2 Ru1 N3 77.2(5) . . ?
N6 Ru1 N5 79.0(6) . . ?
N2 Ru1 N5 99.9(6) . . ?
N3 Ru1 N5 94.9(4) . . ?
N6 Ru1 N7 77.7(6) . . ?
N2 Ru1 N7 103.5(4) . . ?
N3 Ru1 N7 91.2(4) . . ?
N5 Ru1 N7 156.6(6) . . ?
N6 Ru1 N1 101.1(4) . . ?
N2 Ru1 N1 79.4(5) . . ?
N3 Ru1 N1 156.6(5) . . ?
N5 Ru1 N1 87.1(4) . . ?
N7 Ru1 N1 96.2(4) . . ?
C1 N1 C5 117.3(11) . . ?
C1 N1 Ru1 127.0(9) . . ?
C5 N1 Ru1 115.7(9) . . ?
C6 N2 C10 123.2(13) . . ?
C6 N2 Ru1 117.3(10) . . ?
C10 N2 Ru1 118.9(10) . . ?
C11 N3 C15 116.8(12) . . ?
C11 N3 Ru1 117.4(10) . . ?
C15 N3 Ru1 125.8(9) . . ?
C20 N4 C16 116.9(12) . . ?
C20 N4 Pt1 123.9(10) . . ?
C16 N4 Pt1 119.2(10) . . ?
C21 N5 C25 119.2(15) . . ?
C21 N5 Ru1 122.9(12) . . ?
C25 N5 Ru1 117.3(13) . . ?
C30 N6 C26 121.3(15) . . ?
C30 N6 Ru1 120.3(11) . . ?
C26 N6 Ru1 118.4(12) . . ?
C35 N7 C31 116.4(14) . . ?
C35 N7 Ru1 128.5(10) . . ?
C31 N7 Ru1 114.4(12) . . ?
C36 N8 C40 122.2(15) . . ?
C36 N8 Pt1 129.0(11) . . ?
C40 N8 Pt1 108.8(12) . . ?
C41 N9 C45 129.9(13) . . ?
C41 N9 Pt1 115.1(11) . . ?
C45 N9 Pt1 115.0(10) . . ?
C46 N10 C50 121.3(14) . . ?
C46 N10 Pt1 114.7(12) . . ?
C50 N10 Pt1 124.0(10) . . ?
C2 C1 N1 119.2(13) . . ?
C2 C1 H1 120.4 . . ?
N1 C1 H1 120.4 . . ?
C1 C2 C3 122.8(16) . . ?
C1 C2 H2 118.6 . . ?
C3 C2 H2 118.6 . . ?
C2 C3 C4 116.7(17) . . ?
C2 C3 H3 121.7 . . ?
C4 C3 H3 121.7 . . ?
C5 C4 C3 120.1(15) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 N1 123.2(13) . . ?
C4 C5 C6 126.1(16) . . ?
N1 C5 C6 110.3(13) . . ?
N2 C6 C7 117.0(14) . . ?
N2 C6 C5 116.9(14) . . ?
C7 C6 C5 126.0(16) . . ?
C6 C7 C8 124.5(14) . . ?
C6 C7 H7 117.8 . . ?
C8 C7 H7 117.8 . . ?
C7 C8 C18 124.4(14) . . ?
C7 C8 C9 113.2(13) . . ?
C18 C8 C9 122.3(14) . . ?
C10 C9 C8 125.0(14) . . ?
C10 C9 H9 117.5 . . ?
C8 C9 H9 117.5 . . ?
N2 C10 C9 116.9(14) . . ?
N2 C10 C11 112.9(13) . . ?
C9 C10 C11 130.1(17) . . ?
N3 C11 C12 122.2(15) . . ?
N3 C11 C10 113.5(13) . . ?
C12 C11 C10 124.3(15) . . ?
C11 C12 C13 118.7(14) . . ?
C11 C12 H12 120.6 . . ?
C13 C12 H12 120.6 . . ?
C14 C13 C12 119.7(14) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C15 C14 C13 119.3(15) . . ?
C15 C14 H14 120.4 . . ?
C13 C14 H14 120.4 . . ?
C14 C15 N3 123.0(13) . . ?
C14 C15 H15 118.5 . . ?
N3 C15 H15 118.5 . . ?
C17 C16 N4 123.8(14) . . ?
C17 C16 H16 118.1 . . ?
N4 C16 H16 118.1 . . ?
C16 C17 C18 117.5(12) . . ?
C16 C17 H17 121.3 . . ?
C18 C17 H17 121.3 . . ?
C17 C18 C19 120.0(13) . . ?
C17 C18 C8 118.7(13) . . ?
C19 C18 C8 121.3(14) . . ?
C20 C19 C18 115.6(13) . . ?
C20 C19 H19 122.2 . . ?
C18 C19 H19 122.2 . . ?
N4 C20 C19 126.0(13) . . ?
N4 C20 H20 117.0 . . ?
C19 C20 H20 117.0 . . ?
N5 C21 C22 113.0(15) . . ?
N5 C21 H21 123.5 . . ?
C22 C21 H21 123.5 . . ?
C23 C22 C21 118.9(17) . . ?
C23 C22 H22 120.5 . . ?
C21 C22 H22 120.5 . . ?
C22 C23 C24 127(2) . . ?
C22 C23 H23 116.4 . . ?
C24 C23 H23 116.4 . . ?
C23 C24 C25 110.7(19) . . ?
C23 C24 H24 124.6 . . ?
C25 C24 H24 124.6 . . ?
N5 C25 C24 130.0(17) . . ?
N5 C25 C26 114.3(17) . . ?
C24 C25 C26 115.2(19) . . ?
N6 C26 C27 113.8(15) . . ?
N6 C26 C25 110.4(16) . . ?
C27 C26 C25 135.7(19) . . ?
C28 C27 C26 126.4(16) . . ?
C28 C27 H27 116.8 . . ?
C26 C27 H27 116.8 . . ?
C29 C28 C27 115.2(19) . . ?
C29 C28 H28 122.4 . . ?
C27 C28 H28 122.4 . . ?
C28 C29 C30 125.4(19) . . ?
C28 C29 H29 117.3 . . ?
C30 C29 H29 117.3 . . ?
N6 C30 C29 117.4(17) . . ?
N6 C30 C31 110.1(16) . . ?
C29 C30 C31 132(2) . . ?
C32 C31 N7 120.8(18) . . ?
C32 C31 C30 122(2) . . ?
N7 C31 C30 117.1(18) . . ?
C33 C32 C31 119(2) . . ?
C33 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
C32 C33 C34 122(2) . . ?
C32 C33 H33 118.8 . . ?
C34 C33 H33 118.8 . . ?
C35 C34 C33 115.7(18) . . ?
C35 C34 H34 122.2 . . ?
C33 C34 H34 122.2 . . ?
N7 C35 C34 124.6(15) . . ?
N7 C35 H35 117.7 . . ?
C34 C35 H35 117.7 . . ?
N8 C36 C37 118.4(16) . . ?
N8 C36 H36 120.8 . . ?
C37 C36 H36 120.8 . . ?
C36 C37 C38 114.6(16) . . ?
C36 C37 H37 122.7 . . ?
C38 C37 H37 122.7 . . ?
C39 C38 C37 131.9(19) . . ?
C39 C38 H38 114.0 . . ?
C37 C38 H38 114.0 . . ?
C40 C39 C38 111.7(18) . . ?
C40 C39 H39 124.1 . . ?
C38 C39 H39 124.1 . . ?
C39 C40 N8 121.0(16) . . ?
C39 C40 C41 122.0(18) . . ?
N8 C40 C41 116.8(17) . . ?
N9 C41 C42 114.4(16) . . ?
N9 C41 C40 116.5(16) . . ?
C42 C41 C40 128.9(18) . . ?
C41 C42 C43 121.6(17) . . ?
C41 C42 H42 119.2 . . ?
C43 C42 H42 119.2 . . ?
C44 C43 C42 116.5(15) . . ?
C44 C43 H43 121.8 . . ?
C42 C43 H43 121.8 . . ?
C45 C44 C43 122.6(15) . . ?
C45 C44 H44 118.7 . . ?
C43 C44 H44 118.7 . . ?
C44 C45 N9 114.9(14) . . ?
C44 C45 C46 131.4(16) . . ?
N9 C45 C46 113.6(15) . . ?
N10 C46 C47 122.5(14) . . ?
N10 C46 C45 117.0(17) . . ?
C47 C46 C45 120.4(16) . . ?
C48 C47 C46 121.0(16) . . ?
C48 C47 H47 119.5 . . ?
C46 C47 H47 119.5 . . ?
C47 C48 C49 113.2(15) . . ?
C47 C48 H48 123.4 . . ?
C49 C48 H48 123.4 . . ?
C50 C49 C48 123.4(15) . . ?
C50 C49 H49 118.3 . . ?
C48 C49 H49 118.3 . . ?
N10 C50 C49 118.3(14) . . ?
N10 C50 H50 120.8 . . ?
C49 C50 H50 120.8 . . ?
F1 P1 F4 103.8(8) . . ?
F1 P1 F5 92.9(8) . . ?
F4 P1 F5 92.9(6) . . ?
F1 P1 F6 87.4(7) . . ?
F4 P1 F6 168.4(8) . . ?
F5 P1 F6 89.4(6) . . ?
F1 P1 F3 88.1(7) . . ?
F4 P1 F3 87.0(6) . . ?
F5 P1 F3 179.0(9) . . ?
F6 P1 F3 90.5(6) . . ?
F1 P1 F2 170.9(8) . . ?
F4 P1 F2 85.0(6) . . ?
F5 P1 F2 84.2(6) . . ?
F6 P1 F2 83.9(7) . . ?
F3 P1 F2 94.8(7) . . ?
F12 P2 F11 98.6(8) . . ?
F12 P2 F8 90.6(7) . . ?
F11 P2 F8 93.3(6) . . ?
F12 P2 F7 92.6(7) . . ?
F11 P2 F7 87.3(6) . . ?
F8 P2 F7 176.6(8) . . ?
F12 P2 F10 172.5(8) . . ?
F11 P2 F10 86.8(6) . . ?
F8 P2 F10 94.3(6) . . ?
F7 P2 F10 82.3(6) . . ?
F12 P2 F9 90.3(7) . . ?
F11 P2 F9 171.0(8) . . ?
F8 P2 F9 87.8(6) . . ?
F7 P2 F9 91.1(7) . . ?
F10 P2 F9 84.2(7) . . ?
F15 P3 F13 90.5(4) . . ?
F15 P3 F13 90.5(4) . 8_575 ?
F13 P3 F13 178.1(9) . 8_575 ?
F15 P3 F18 89.9(7) . . ?
F13 P3 F18 90.8(4) . . ?
F13 P3 F18 90.8(4) 8_575 . ?
F15 P3 F16 91.3(7) . . ?
F13 P3 F16 89.2(4) . . ?
F13 P3 F16 89.2(4) 8_575 . ?
F18 P3 F16 178.8(7) . . ?
F15 P3 F17 177.8(10) . . ?
F13 P3 F17 89.6(4) . . ?
F13 P3 F17 89.6(4) 8_575 . ?
F18 P3 F17 87.9(7) . . ?
F16 P3 F17 90.9(7) . . ?
F22 P4 F20 90.6(7) . . ?
F22 P4 F24 177.4(8) . . ?
F20 P4 F24 87.9(7) . . ?
F22 P4 F23 90.4(7) . . ?
F20 P4 F23 90.7(7) . . ?
F24 P4 F23 91.8(7) . . ?
F22 P4 F19 91.5(7) . . ?
F20 P4 F19 177.9(7) . . ?
F24 P4 F19 90.0(6) . . ?
F23 P4 F19 88.7(7) . . ?
F22 P4 F21 89.3(7) . . ?
F20 P4 F21 91.7(7) . . ?
F24 P4 F21 88.6(6) . . ?
F23 P4 F21 177.7(10) . . ?
F19 P4 F21 89.0(6) . . ?
F29 P5 F25 89.3(7) . . ?
F29 P5 F26 94.4(8) . . ?
F25 P5 F26 176.2(9) . . ?
F29 P5 F28 89.5(7) . . ?
F25 P5 F28 88.0(7) . . ?
F26 P5 F28 91.4(7) . . ?
F29 P5 F30 92.5(8) . . ?
F25 P5 F30 86.9(7) . . ?
F26 P5 F30 93.5(7) . . ?
F28 P5 F30 174.6(10) . . ?
F29 P5 F27 174.2(11) . . ?
F25 P5 F27 86.9(7) . . ?
F26 P5 F27 89.4(7) . . ?
F28 P5 F27 86.0(7) . . ?
F30 P5 F27 91.7(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
C5 N1 C1 C2 4(2) . . . . ?
Ru1 N1 C1 C2 -175.1(11) . . . . ?
N1 C1 C2 C3 -8(3) . . . . ?
C1 C2 C3 C4 10(3) . . . . ?
C2 C3 C4 C5 -8(3) . . . . ?
C3 C4 C5 N1 5(2) . . . . ?
C3 C4 C5 C6 177.5(15) . . . . ?
C1 N1 C5 C4 -3(2) . . . . ?
Ru1 N1 C5 C4 176.5(12) . . . . ?
C1 N1 C5 C6 -176.7(11) . . . . ?
Ru1 N1 C5 C6 3.0(14) . . . . ?
C10 N2 C6 C7 -5.5(18) . . . . ?
Ru1 N2 C6 C7 -176.6(9) . . . . ?
C10 N2 C6 C5 177.0(11) . . . . ?
Ru1 N2 C6 C5 5.9(15) . . . . ?
C4 C5 C6 N2 -178.9(14) . . . . ?
N1 C5 C6 N2 -5.7(17) . . . . ?
C4 C5 C6 C7 4(2) . . . . ?
N1 C5 C6 C7 177.2(12) . . . . ?
N2 C6 C7 C8 4(2) . . . . ?
C5 C6 C7 C8 -179.3(12) . . . . ?
C6 C7 C8 C18 176.2(12) . . . . ?
C6 C7 C8 C9 -0.1(19) . . . . ?
C7 C8 C9 C10 -1.8(18) . . . . ?
C18 C8 C9 C10 -178.1(11) . . . . ?
C6 N2 C10 C9 3.8(17) . . . . ?
Ru1 N2 C10 C9 174.8(8) . . . . ?
C6 N2 C10 C11 -174.5(11) . . . . ?
Ru1 N2 C10 C11 -3.5(14) . . . . ?
C8 C9 C10 N2 0.0(18) . . . . ?
C8 C9 C10 C11 178.0(12) . . . . ?
C15 N3 C11 C12 -1.0(17) . . . . ?
Ru1 N3 C11 C12 -179.9(9) . . . . ?
C15 N3 C11 C10 -179.7(10) . . . . ?
Ru1 N3 C11 C10 1.4(13) . . . . ?
N2 C10 C11 N3 1.2(15) . . . . ?
C9 C10 C11 N3 -176.8(11) . . . . ?
N2 C10 C11 C12 -177.4(11) . . . . ?
C9 C10 C11 C12 5(2) . . . . ?
N3 C11 C12 C13 -3.0(19) . . . . ?
C10 C11 C12 C13 175.4(12) . . . . ?
C11 C12 C13 C14 6(2) . . . . ?
C12 C13 C14 C15 -4(2) . . . . ?
C13 C14 C15 N3 0(2) . . . . ?
C11 N3 C15 C14 2.9(19) . . . . ?
Ru1 N3 C15 C14 -178.3(10) . . . . ?
C20 N4 C16 C17 2(2) . . . . ?
Pt1 N4 C16 C17 179.9(10) . . . . ?
N4 C16 C17 C18 1(2) . . . . ?
C16 C17 C18 C19 -1(2) . . . . ?
C16 C17 C18 C8 177.7(12) . . . . ?
C7 C8 C18 C17 44.9(18) . . . . ?
C9 C8 C18 C17 -139.1(12) . . . . ?
C7 C8 C18 C19 -136.1(14) . . . . ?
C9 C8 C18 C19 39.9(19) . . . . ?
C17 C18 C19 C20 -1(2) . . . . ?
C8 C18 C19 C20 180.0(12) . . . . ?
C16 N4 C20 C19 -5(2) . . . . ?
Pt1 N4 C20 C19 177.4(11) . . . . ?
C18 C19 C20 N4 4(2) . . . . ?
C25 N5 C21 C22 -3.5(19) . . . . ?
Ru1 N5 C21 C22 -174.0(9) . . . . ?
N5 C21 C22 C23 2(2) . . . . ?
C21 C22 C23 C24 -6(3) . . . . ?
C22 C23 C24 C25 9(3) . . . . ?
C21 N5 C25 C24 9(3) . . . . ?
Ru1 N5 C25 C24 -179.6(14) . . . . ?
C21 N5 C25 C26 -179.8(12) . . . . ?
Ru1 N5 C25 C26 -8.8(17) . . . . ?
C23 C24 C25 N5 -12(3) . . . . ?
C23 C24 C25 C26 177.6(15) . . . . ?
C30 N6 C26 C27 -3(2) . . . . ?
Ru1 N6 C26 C27 178.5(9) . . . . ?
C30 N6 C26 C25 176.4(12) . . . . ?
Ru1 N6 C26 C25 -1.8(16) . . . . ?
N5 C25 C26 N6 6.7(19) . . . . ?
C24 C25 C26 N6 178.9(12) . . . . ?
N5 C25 C26 C27 -173.7(15) . . . . ?
C24 C25 C26 C27 -1(3) . . . . ?
N6 C26 C27 C28 -1(2) . . . . ?
C25 C26 C27 C28 179.6(17) . . . . ?
C26 C27 C28 C29 6(3) . . . . ?
C27 C28 C29 C30 -8(3) . . . . ?
C26 N6 C30 C29 2(2) . . . . ?
Ru1 N6 C30 C29 -180.0(10) . . . . ?
C26 N6 C30 C31 179.4(12) . . . . ?
Ru1 N6 C30 C31 -2.4(18) . . . . ?
C28 C29 C30 N6 4(3) . . . . ?
C28 C29 C30 C31 -172.5(18) . . . . ?
C35 N7 C31 C32 8(2) . . . . ?
Ru1 N7 C31 C32 179.0(12) . . . . ?
C35 N7 C31 C30 -179.8(14) . . . . ?
Ru1 N7 C31 C30 -8.6(18) . . . . ?
N6 C30 C31 C32 179.5(14) . . . . ?
C29 C30 C31 C32 -3(3) . . . . ?
N6 C30 C31 N7 7(2) . . . . ?
C29 C30 C31 N7 -175.8(15) . . . . ?
N7 C31 C32 C33 -8(3) . . . . ?
C30 C31 C32 C33 -179.9(16) . . . . ?
C31 C32 C33 C34 5(3) . . . . ?
C32 C33 C34 C35 -3(3) . . . . ?
C31 N7 C35 C34 -6(2) . . . . ?
Ru1 N7 C35 C34 -175.5(10) . . . . ?
C33 C34 C35 N7 3(2) . . . . ?
C40 N8 C36 C37 0(2) . . . . ?
Pt1 N8 C36 C37 179.8(10) . . . . ?
N8 C36 C37 C38 3(2) . . . . ?
C36 C37 C38 C39 -3(3) . . . . ?
C37 C38 C39 C40 0(3) . . . . ?
C38 C39 C40 N8 3(2) . . . . ?
C38 C39 C40 C41 178.4(14) . . . . ?
C36 N8 C40 C39 -3(2) . . . . ?
Pt1 N8 C40 C39 177.0(11) . . . . ?
C36 N8 C40 C41 -178.8(14) . . . . ?
Pt1 N8 C40 C41 1.2(16) . . . . ?
C45 N9 C41 C42 -3(2) . . . . ?
Pt1 N9 C41 C42 179.2(11) . . . . ?
C45 N9 C41 C40 -178.6(14) . . . . ?
Pt1 N9 C41 C40 3.2(17) . . . . ?
C39 C40 C41 N9 -178.7(14) . . . . ?
N8 C40 C41 N9 -3(2) . . . . ?
C39 C40 C41 C42 6(3) . . . . ?
N8 C40 C41 C42 -178.3(16) . . . . ?
N9 C41 C42 C43 5(2) . . . . ?
C40 C41 C42 C43 -179.6(15) . . . . ?
C41 C42 C43 C44 -4(3) . . . . ?
C42 C43 C44 C45 1(3) . . . . ?
C43 C44 C45 N9 2(2) . . . . ?
C43 C44 C45 C46 177.9(16) . . . . ?
C41 N9 C45 C44 -1(2) . . . . ?
Pt1 N9 C45 C44 177.5(11) . . . . ?
C41 N9 C45 C46 -177.7(14) . . . . ?
Pt1 N9 C45 C46 0.6(16) . . . . ?
C50 N10 C46 C47 -3(2) . . . . ?
Pt1 N10 C46 C47 178.5(12) . . . . ?
C50 N10 C46 C45 177.4(13) . . . . ?
Pt1 N10 C46 C45 -0.6(18) . . . . ?
C44 C45 C46 N10 -176.3(17) . . . . ?
N9 C45 C46 N10 0(2) . . . . ?
C44 C45 C46 C47 5(3) . . . . ?
N9 C45 C46 C47 -179.1(14) . . . . ?
N10 C46 C47 C48 5(2) . . . . ?
C45 C46 C47 C48 -176.1(14) . . . . ?
C46 C47 C48 C49 -2(2) . . . . ?
C47 C48 C49 C50 -1(2) . . . . ?
C46 N10 C50 C49 0(2) . . . . ?
Pt1 N10 C50 C49 177.7(9) . . . . ?
C48 C49 C50 N10 3(2) . . . . ?

_refine_diff_density_max         0.767
_refine_diff_density_min         -0.603
_refine_diff_density_rms         0.103




####################################################################### 
# 
# 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_spf6111_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 1940333'
loop_
_audit_author_name
_audit_author_address
'xinda yang'
;huaihai university
China
;
_audit_update_record             
;
2021-01-22 deposited with the CCDC.	2021-01-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C47 H49 N7 Ru, 2(F6 P) [+3(C2 H3 N) +2(H2 O)]'
_chemical_formula_sum            'C53 H62 F12 N10 O2 P2 Ru'
_chemical_formula_weight         1262.13

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'
F F 0.0171 0.0103 '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'
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'
O O 0.0106 0.0060 '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                   9.179(3)
_cell_length_b                   12.056(4)
_cell_length_c                   21.623(7)
_cell_angle_alpha                96.203(5)
_cell_angle_beta                 99.507(5)
_cell_angle_gamma                92.535(5)
_cell_volume                     2341.5(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1490
_cell_measurement_theta_min      2.276
_cell_measurement_theta_max      19.400

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.790
_exptl_crystal_F_000             1296
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.110
_exptl_absorpt_coefficient_mu    0.511
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_T_max  0.934
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            21914
_diffrn_reflns_av_unetI/netI     0.1694
_diffrn_reflns_av_R_equivalents  0.0868
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         2.051
_diffrn_reflns_theta_max         27.764
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             10770
_reflns_number_gt                4491
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SMART(Bruker, 2000)'
_computing_cell_refinement       'SMART(Bruker, 2000)'
_computing_data_reduction        'SMART(Bruker, 2000)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'SHELXTL, DIAMOND 3.0'
_computing_publication_material  SHELXTL
_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)+(0.0007P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10770
_refine_ls_number_parameters     568
_refine_ls_number_restraints     25
_refine_ls_R_factor_all          0.1708
_refine_ls_R_factor_gt           0.0657
_refine_ls_wR_factor_ref         0.1079
_refine_ls_wR_factor_gt          0.0886
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_restrained_S_all      1.018
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.23081(5) 0.97298(3) 0.22768(2) 0.04963(15) Uani 1 1 d . . . . .
C1 C 0.5541(6) 0.9153(4) 0.2659(2) 0.0661(15) Uani 1 1 d . . . . .
H1 H 0.552595 0.956901 0.304620 0.079 Uiso 1 1 calc R U . . .
C2 C 0.6817(6) 0.8678(5) 0.2565(3) 0.0790(17) Uani 1 1 d . . . . .
H2 H 0.763432 0.875358 0.288772 0.095 Uiso 1 1 calc R U . . .
C3 C 0.6897(6) 0.8092(4) 0.1996(3) 0.0809(17) Uani 1 1 d . . . . .
H3 H 0.777073 0.778696 0.191798 0.097 Uiso 1 1 calc R U . . .
C4 C 0.5643(6) 0.7968(4) 0.1544(2) 0.0699(15) Uani 1 1 d . . . . .
H4 H 0.566115 0.756288 0.115444 0.084 Uiso 1 1 calc R U . . .
C5 C 0.4363(6) 0.8433(4) 0.1660(2) 0.0524(13) Uani 1 1 d . U . . .
C6 C 0.2986(6) 0.8347(4) 0.1200(2) 0.0523(13) Uani 1 1 d . . . . .
C7 C 0.2642(6) 0.7667(4) 0.0636(2) 0.0658(15) Uani 1 1 d . . . . .
H7 H 0.334428 0.721291 0.049691 0.079 Uiso 1 1 calc R U . . .
C8 C 0.1228(6) 0.7661(5) 0.0270(2) 0.0690(16) Uani 1 1 d . . . . .
C9 C 0.0221(6) 0.8378(4) 0.0473(2) 0.0681(16) Uani 1 1 d . . . . .
H9 H -0.070613 0.841008 0.022836 0.082 Uiso 1 1 calc R U . . .
C10 C 0.0611(6) 0.9047(4) 0.1045(2) 0.0550(13) Uani 1 1 d . . . . .
C11 C -0.0352(6) 0.9794(4) 0.1349(2) 0.0567(14) Uani 1 1 d . . . . .
C12 C -0.1683(6) 1.0105(5) 0.1060(2) 0.0817(18) Uani 1 1 d . . . . .
H12 H -0.204263 0.982589 0.064246 0.098 Uiso 1 1 calc R U . . .
C13 C -0.2500(6) 1.0824(5) 0.1379(3) 0.095(2) Uani 1 1 d . . . . .
H13 H -0.340435 1.103923 0.118176 0.115 Uiso 1 1 calc R U . . .
C14 C -0.1941(7) 1.1219(5) 0.1999(3) 0.0862(19) Uani 1 1 d . . . . .
H14 H -0.247232 1.170181 0.222897 0.103 Uiso 1 1 calc R U . . .
C15 C -0.0608(6) 1.0897(4) 0.2273(2) 0.0661(15) Uani 1 1 d . . . . .
H15 H -0.025395 1.116442 0.269332 0.079 Uiso 1 1 calc R U . . .
C16 C 0.0913(9) 0.5045(7) -0.0920(4) 0.149(3) Uani 1 1 d . . . . .
H16 H 0.123226 0.432270 -0.093591 0.179 Uiso 1 1 calc R U . . .
C17 C 0.1368(7) 0.5824(6) -0.0370(3) 0.122(3) Uani 1 1 d . . . . .
H17 H 0.205117 0.562385 -0.003920 0.147 Uiso 1 1 calc R U . . .
C18 C 0.0812(7) 0.6873(6) -0.0318(3) 0.086(2) Uani 1 1 d . . . . .
C19 C -0.0129(7) 0.7135(6) -0.0825(3) 0.117(3) Uani 1 1 d . . . . .
H19 H -0.054205 0.782625 -0.080929 0.141 Uiso 1 1 calc R U . . .
C20 C -0.0485(7) 0.6378(7) -0.1373(3) 0.136(3) Uani 1 1 d . U . . .
H20 H -0.109766 0.658897 -0.172217 0.163 Uiso 1 1 calc R U . . .
C21 C 0.1159(5) 0.7347(4) 0.2410(2) 0.0558(14) Uani 1 1 d . . . . .
H21 H 0.100404 0.722012 0.197105 0.067 Uiso 1 1 calc R U . . .
C22 C 0.0925(5) 0.6457(4) 0.2734(2) 0.0523(13) Uani 1 1 d . . . . .
H22 H 0.060043 0.575976 0.251460 0.063 Uiso 1 1 calc R U . . .
C23 C 0.1170(5) 0.6593(4) 0.3391(2) 0.0496(12) Uani 1 1 d . . . . .
C24 C 0.1531(5) 0.7687(4) 0.3682(2) 0.0492(12) Uani 1 1 d . . . . .
H24 H 0.163096 0.783113 0.411890 0.059 Uiso 1 1 calc R U . . .
C25 C 0.1741(4) 0.8553(4) 0.3335(2) 0.0439(12) Uani 1 1 d . . . . .
C26 C 0.2229(4) 0.9723(4) 0.3612(2) 0.0418(11) Uani 1 1 d . . . . .
C27 C 0.2357(4) 1.0167(4) 0.42370(19) 0.0444(12) Uani 1 1 d . . . . .
H27 H 0.210343 0.971956 0.453231 0.053 Uiso 1 1 calc R U . . .
C28 C 0.2864(5) 1.1284(4) 0.44296(18) 0.0416(11) Uani 1 1 d . . . . .
C29 C 0.3256(4) 1.1905(4) 0.3969(2) 0.0466(12) Uani 1 1 d . . . . .
H29 H 0.362654 1.264286 0.408083 0.056 Uiso 1 1 calc R U . . .
C30 C 0.3101(5) 1.1445(4) 0.3354(2) 0.0497(13) Uani 1 1 d . . . . .
C31 C 0.3516(5) 1.1969(4) 0.2811(2) 0.0499(13) Uani 1 1 d . . . . .
C32 C 0.4183(5) 1.3035(4) 0.2852(2) 0.0552(13) Uani 1 1 d . . . . .
H32 H 0.438002 1.346257 0.324432 0.066 Uiso 1 1 calc R U . . .
C33 C 0.4567(5) 1.3492(4) 0.2339(2) 0.0570(13) Uani 1 1 d . . . . .
C34 C 0.4251(5) 1.2804(4) 0.1771(2) 0.0686(16) Uani 1 1 d . . . . .
H34 H 0.448492 1.306120 0.140678 0.082 Uiso 1 1 calc R U . . .
C35 C 0.3591(5) 1.1739(4) 0.1738(2) 0.0588(14) Uani 1 1 d . . . . .
H35 H 0.339976 1.130480 0.134782 0.071 Uiso 1 1 calc R U . . .
C36 C 0.1065(6) 0.5616(4) 0.3776(2) 0.0624(14) Uani 1 1 d . . . . .
C37 C 0.0934(6) 0.4492(4) 0.3369(2) 0.0808(17) Uani 1 1 d . . . . .
H37A H 0.098381 0.390115 0.363459 0.121 Uiso 1 1 calc R U . . .
H37B H 0.173111 0.445268 0.313167 0.121 Uiso 1 1 calc R U . . .
H37C H 0.000626 0.441195 0.308371 0.121 Uiso 1 1 calc R U . . .
C38 C 0.2485(7) 0.5656(4) 0.4266(3) 0.109(2) Uani 1 1 d . . . . .
H38A H 0.244250 0.503801 0.450894 0.163 Uiso 1 1 calc R U . . .
H38B H 0.257693 0.634454 0.454078 0.163 Uiso 1 1 calc R U . . .
H38C H 0.332409 0.560861 0.405363 0.163 Uiso 1 1 calc R U . . .
C39 C -0.0230(7) 0.5736(4) 0.4119(3) 0.108(2) Uani 1 1 d . U . . .
H39A H -0.112539 0.573607 0.381824 0.162 Uiso 1 1 calc R U . . .
H39B H -0.009424 0.642691 0.439428 0.162 Uiso 1 1 calc R U . . .
H39C H -0.029687 0.512304 0.436373 0.162 Uiso 1 1 calc R U . . .
C40 C 0.3075(5) 1.1750(4) 0.51203(19) 0.0464(12) Uani 1 1 d . . . . .
C41 C 0.4461(5) 1.1302(4) 0.5468(2) 0.0791(17) Uani 1 1 d . . . . .
H41A H 0.432761 1.050500 0.545165 0.119 Uiso 1 1 calc R U . . .
H41B H 0.464235 1.163197 0.590004 0.119 Uiso 1 1 calc R U . . .
H41C H 0.529054 1.148760 0.527134 0.119 Uiso 1 1 calc R U . . .
C42 C 0.1741(5) 1.1402(4) 0.54115(19) 0.0628(14) Uani 1 1 d . . . . .
H42A H 0.085560 1.164135 0.517440 0.094 Uiso 1 1 calc R U . . .
H42B H 0.186282 1.174196 0.584072 0.094 Uiso 1 1 calc R U . . .
H42C H 0.166630 1.060305 0.540208 0.094 Uiso 1 1 calc R U . . .
C43 C 0.3243(5) 1.3030(4) 0.5196(2) 0.0734(16) Uani 1 1 d . . . . .
H43A H 0.415236 1.326672 0.507055 0.110 Uiso 1 1 calc R U . . .
H43B H 0.325652 1.331204 0.562945 0.110 Uiso 1 1 calc R U . . .
H43C H 0.242615 1.331308 0.493510 0.110 Uiso 1 1 calc R U . . .
C44 C 0.5278(7) 1.4649(4) 0.2370(3) 0.0737(16) Uani 1 1 d . . . . .
C45 C 0.5592(7) 1.5247(5) 0.3028(3) 0.137(3) Uani 1 1 d . U . . .
H45A H 0.621101 1.481271 0.329811 0.206 Uiso 1 1 calc R U . . .
H45B H 0.467809 1.534764 0.318135 0.206 Uiso 1 1 calc R U . . .
H45C H 0.608860 1.596365 0.302439 0.206 Uiso 1 1 calc R U . . .
C46 C 0.4217(7) 1.5320(5) 0.1974(3) 0.142(3) Uani 1 1 d . . . . .
H46A H 0.460678 1.608213 0.201763 0.214 Uiso 1 1 calc R U . . .
H46B H 0.327719 1.529458 0.211353 0.214 Uiso 1 1 calc R U . . .
H46C H 0.409183 1.501118 0.153889 0.214 Uiso 1 1 calc R U . . .
C47 C 0.6677(6) 1.4606(5) 0.2092(3) 0.124(2) Uani 1 1 d . . . . .
H47A H 0.733471 1.412323 0.230959 0.186 Uiso 1 1 calc R U . . .
H47B H 0.714733 1.534468 0.213687 0.186 Uiso 1 1 calc R U . . .
H47C H 0.644114 1.432423 0.165243 0.186 Uiso 1 1 calc R U . . .
N1 N 0.4306(4) 0.9053(3) 0.22248(17) 0.0521(10) Uani 1 1 d . . . . .
N2 N 0.1962(4) 0.9007(3) 0.13958(15) 0.0470(10) Uani 1 1 d . . . . .
N3 N 0.0224(4) 1.0211(3) 0.19671(16) 0.0512(10) Uani 1 1 d . . . . .
N4 N 0.0030(7) 0.5364(6) -0.1408(3) 0.135(2) Uani 1 1 d . U . . .
N5 N 0.3211(4) 1.1297(3) 0.22357(16) 0.0503(10) Uani 1 1 d . . . . .
N6 N 0.2593(4) 1.0365(3) 0.31791(15) 0.0428(10) Uani 1 1 d . . . . .
N7 N 0.1596(4) 0.8386(3) 0.26813(16) 0.0491(10) Uani 1 1 d . . . . .
P1 P 0.78722(18) 0.20472(13) 0.39956(7) 0.0682(4) Uani 1 1 d . . . . .
F1 F 0.6816(4) 0.2972(3) 0.41676(14) 0.1218(12) Uani 1 1 d . . . . .
F2 F 0.7916(4) 0.2499(3) 0.33502(14) 0.1394(14) Uani 1 1 d . . . . .
F3 F 0.9228(4) 0.2859(3) 0.43053(17) 0.1422(15) Uani 1 1 d . . . . .
F4 F 0.8885(4) 0.1102(3) 0.38188(15) 0.1309(13) Uani 1 1 d . . . . .
F5 F 0.7892(4) 0.1623(2) 0.46592(13) 0.1046(11) Uani 1 1 d . . . . .
F6 F 0.6519(4) 0.1258(3) 0.37072(18) 0.1497(16) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N6 1.988(3) . ?
Ru1 N2 1.976(3) . ?
Ru1 N5 2.046(4) . ?
Ru1 N3 2.051(4) . ?
Ru1 N1 2.054(4) . ?
Ru1 N7 2.054(3) . ?
C1 N1 1.340(5) . ?
C1 C2 1.362(6) . ?
C1 H1 0.9300 . ?
C2 C3 1.365(6) . ?
C2 H2 0.9300 . ?
C3 C4 1.373(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.373(6) . ?
C4 H4 0.9300 . ?
C5 N1 1.371(5) . ?
C5 C6 1.465(6) . ?
C6 N2 1.350(5) . ?
C6 C7 1.377(5) . ?
C7 C8 1.403(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.384(6) . ?
C8 C18 1.487(7) . ?
C9 C10 1.386(5) . ?
C9 H9 0.9300 . ?
C10 N2 1.348(5) . ?
C10 C11 1.469(6) . ?
C11 C12 1.364(6) . ?
C11 N3 1.385(5) . ?
C12 C13 1.374(6) . ?
C12 H12 0.9300 . ?
C13 C14 1.379(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.361(6) . ?
C14 H14 0.9300 . ?
C15 N3 1.345(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.426(8) . ?
C16 N4 1.323(8) . ?
C16 H16 0.9300 . ?
C17 C18 1.384(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.356(7) . ?
C19 C20 1.399(7) . ?
C19 H19 0.9300 . ?
C20 N4 1.329(8) . ?
C20 H20 0.9300 . ?
C21 C22 1.373(5) . ?
C21 N7 1.339(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.391(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.400(5) . ?
C23 C36 1.521(6) . ?
C24 C25 1.374(5) . ?
C24 H24 0.9300 . ?
C25 N7 1.390(5) . ?
C25 C26 1.491(5) . ?
C26 N6 1.350(5) . ?
C26 C27 1.383(5) . ?
C27 C28 1.401(5) . ?
C27 H27 0.9300 . ?
C28 C29 1.393(5) . ?
C28 C40 1.516(5) . ?
C29 C30 1.367(5) . ?
C29 H29 0.9300 . ?
C30 N6 1.356(5) . ?
C30 C31 1.486(6) . ?
C31 N5 1.389(5) . ?
C31 C32 1.386(5) . ?
C32 C33 1.379(6) . ?
C32 H32 0.9300 . ?
C33 C34 1.387(6) . ?
C33 C44 1.504(6) . ?
C34 C35 1.385(6) . ?
C34 H34 0.9300 . ?
C35 N5 1.339(5) . ?
C35 H35 0.9300 . ?
C36 C37 1.523(5) . ?
C36 C38 1.533(6) . ?
C36 C39 1.506(6) . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 C42 1.530(5) . ?
C40 C41 1.519(5) . ?
C40 C43 1.532(5) . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 C47 1.506(6) . ?
C44 C46 1.510(7) . ?
C44 C45 1.501(6) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
P1 F6 1.532(3) . ?
P1 F2 1.558(3) . ?
P1 F3 1.559(3) . ?
P1 F4 1.558(3) . ?
P1 F1 1.564(3) . ?
P1 F5 1.572(3) . ?

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
N6 Ru1 N2 176.16(16) . . ?
N6 Ru1 N5 78.87(15) . . ?
N2 Ru1 N5 104.97(14) . . ?
N6 Ru1 N3 100.27(14) . . ?
N2 Ru1 N3 79.59(16) . . ?
N5 Ru1 N3 91.16(14) . . ?
N6 Ru1 N1 101.60(14) . . ?
N2 Ru1 N1 78.73(16) . . ?
N5 Ru1 N1 91.06(14) . . ?
N3 Ru1 N1 158.04(14) . . ?
N6 Ru1 N7 79.01(15) . . ?
N2 Ru1 N7 97.16(14) . . ?
N5 Ru1 N7 157.77(14) . . ?
N3 Ru1 N7 94.95(14) . . ?
N1 Ru1 N7 91.19(14) . . ?
N1 C1 C2 123.5(5) . . ?
N1 C1 H1 118.2 . . ?
C2 C1 H1 118.2 . . ?
C3 C2 C1 120.0(5) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C2 C3 C4 117.7(6) . . ?
C2 C3 H3 121.1 . . ?
C4 C3 H3 121.1 . . ?
C5 C4 C3 120.8(5) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
N1 C5 C4 121.1(4) . . ?
N1 C5 C6 114.8(5) . . ?
C4 C5 C6 124.0(5) . . ?
N2 C6 C7 119.7(4) . . ?
N2 C6 C5 112.3(4) . . ?
C7 C6 C5 128.0(5) . . ?
C6 C7 C8 119.8(5) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 H7 120.1 . . ?
C9 C8 C7 119.1(5) . . ?
C9 C8 C18 120.8(5) . . ?
C7 C8 C18 120.1(5) . . ?
C8 C9 C10 119.3(5) . . ?
C8 C9 H9 120.4 . . ?
C10 C9 H9 120.4 . . ?
N2 C10 C9 120.3(4) . . ?
N2 C10 C11 113.4(4) . . ?
C9 C10 C11 126.2(5) . . ?
C12 C11 N3 120.9(5) . . ?
C12 C11 C10 124.9(5) . . ?
N3 C11 C10 114.2(4) . . ?
C13 C12 C11 120.9(5) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C12 C13 C14 118.2(5) . . ?
C12 C13 H13 120.9 . . ?
C14 C13 H13 120.9 . . ?
C15 C14 C13 119.5(5) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
N3 C15 C14 123.3(5) . . ?
N3 C15 H15 118.3 . . ?
C14 C15 H15 118.3 . . ?
C17 C16 N4 119.1(8) . . ?
C17 C16 H16 120.5 . . ?
N4 C16 H16 120.5 . . ?
C18 C17 C16 121.3(7) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C17 C18 C19 116.7(6) . . ?
C17 C18 C8 121.1(6) . . ?
C19 C18 C8 122.2(6) . . ?
C18 C19 C20 120.7(7) . . ?
C18 C19 H19 119.7 . . ?
C20 C19 H19 119.7 . . ?
C19 C20 N4 121.7(7) . . ?
C19 C20 H20 119.1 . . ?
N4 C20 H20 119.1 . . ?
C22 C21 N7 124.4(4) . . ?
C22 C21 H21 117.8 . . ?
N7 C21 H21 117.8 . . ?
C21 C22 C23 120.2(4) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C22 C23 C24 116.0(4) . . ?
C22 C23 C36 122.5(4) . . ?
C24 C23 C36 121.5(4) . . ?
C25 C24 C23 121.3(4) . . ?
C25 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
N7 C25 C24 121.7(4) . . ?
N7 C25 C26 113.6(4) . . ?
C24 C25 C26 124.5(4) . . ?
N6 C26 C27 120.2(4) . . ?
N6 C26 C25 112.6(4) . . ?
C27 C26 C25 127.2(4) . . ?
C28 C27 C26 120.6(4) . . ?
C28 C27 H27 119.7 . . ?
C26 C27 H27 119.7 . . ?
C27 C28 C29 117.1(4) . . ?
C27 C28 C40 120.4(4) . . ?
C29 C28 C40 122.4(4) . . ?
C28 C29 C30 120.8(4) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
N6 C30 C29 120.8(4) . . ?
N6 C30 C31 111.2(4) . . ?
C29 C30 C31 127.9(4) . . ?
N5 C31 C32 120.4(4) . . ?
N5 C31 C30 114.9(4) . . ?
C32 C31 C30 124.7(4) . . ?
C31 C32 C33 123.2(4) . . ?
C31 C32 H32 118.4 . . ?
C33 C32 H32 118.4 . . ?
C34 C33 C32 115.3(4) . . ?
C34 C33 C44 120.5(5) . . ?
C32 C33 C44 124.2(5) . . ?
C33 C34 C35 120.9(5) . . ?
C33 C34 H34 119.6 . . ?
C35 C34 H34 119.6 . . ?
N5 C35 C34 123.9(4) . . ?
N5 C35 H35 118.1 . . ?
C34 C35 H35 118.1 . . ?
C37 C36 C38 107.5(4) . . ?
C37 C36 C39 110.8(4) . . ?
C38 C36 C39 108.6(5) . . ?
C37 C36 C23 112.2(4) . . ?
C38 C36 C23 108.4(4) . . ?
C39 C36 C23 109.3(4) . . ?
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 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C36 C39 H39A 109.5 . . ?
C36 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C36 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C42 C40 C41 109.5(4) . . ?
C42 C40 C28 110.5(4) . . ?
C41 C40 C28 108.8(4) . . ?
C42 C40 C43 108.1(4) . . ?
C41 C40 C43 109.2(4) . . ?
C28 C40 C43 110.7(4) . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C40 C43 H43A 109.5 . . ?
C40 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C40 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C47 C44 C46 107.8(5) . . ?
C47 C44 C33 110.5(5) . . ?
C46 C44 C33 108.0(5) . . ?
C47 C44 C45 110.2(5) . . ?
C46 C44 C45 107.5(5) . . ?
C33 C44 C45 112.8(5) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C1 N1 C5 116.8(4) . . ?
C1 N1 Ru1 128.9(4) . . ?
C5 N1 Ru1 114.3(3) . . ?
C10 N2 C6 121.9(4) . . ?
C10 N2 Ru1 118.2(3) . . ?
C6 N2 Ru1 119.0(3) . . ?
C15 N3 C11 117.1(4) . . ?
C15 N3 Ru1 128.8(3) . . ?
C11 N3 Ru1 114.0(3) . . ?
C16 N4 C20 120.4(7) . . ?
C35 N5 C31 116.4(4) . . ?
C35 N5 Ru1 128.9(3) . . ?
C31 N5 Ru1 114.7(3) . . ?
C26 N6 C30 120.4(4) . . ?
C26 N6 Ru1 119.5(3) . . ?
C30 N6 Ru1 120.1(3) . . ?
C25 N7 C21 116.0(4) . . ?
C25 N7 Ru1 114.9(3) . . ?
C21 N7 Ru1 128.8(3) . . ?
F6 P1 F2 91.3(2) . . ?
F6 P1 F3 178.4(2) . . ?
F2 P1 F3 89.8(2) . . ?
F6 P1 F4 88.9(2) . . ?
F2 P1 F4 90.1(2) . . ?
F3 P1 F4 92.2(2) . . ?
F6 P1 F1 89.5(2) . . ?
F2 P1 F1 90.2(2) . . ?
F3 P1 F1 89.4(2) . . ?
F4 P1 F1 178.4(2) . . ?
F6 P1 F5 91.2(2) . . ?
F2 P1 F5 177.5(2) . . ?
F3 P1 F5 87.69(18) . . ?
F4 P1 F5 89.78(19) . . ?
F1 P1 F5 90.01(19) . . ?

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 2.1(8) . . . . ?
C1 C2 C3 C4 -2.5(8) . . . . ?
C2 C3 C4 C5 0.9(8) . . . . ?
C3 C4 C5 N1 1.3(7) . . . . ?
C3 C4 C5 C6 179.4(5) . . . . ?
N1 C5 C6 N2 7.2(6) . . . . ?
C4 C5 C6 N2 -171.0(4) . . . . ?
N1 C5 C6 C7 -170.3(4) . . . . ?
C4 C5 C6 C7 11.5(8) . . . . ?
N2 C6 C7 C8 -0.4(7) . . . . ?
C5 C6 C7 C8 176.8(5) . . . . ?
C6 C7 C8 C9 2.7(8) . . . . ?
C6 C7 C8 C18 -175.8(5) . . . . ?
C7 C8 C9 C10 -2.9(8) . . . . ?
C18 C8 C9 C10 175.6(5) . . . . ?
C8 C9 C10 N2 0.8(7) . . . . ?
C8 C9 C10 C11 -175.7(5) . . . . ?
N2 C10 C11 C12 170.2(5) . . . . ?
C9 C10 C11 C12 -13.2(8) . . . . ?
N2 C10 C11 N3 -7.7(6) . . . . ?
C9 C10 C11 N3 168.9(4) . . . . ?
N3 C11 C12 C13 -1.1(8) . . . . ?
C10 C11 C12 C13 -178.9(5) . . . . ?
C11 C12 C13 C14 -0.4(9) . . . . ?
C12 C13 C14 C15 0.6(9) . . . . ?
C13 C14 C15 N3 0.7(9) . . . . ?
N4 C16 C17 C18 5.2(11) . . . . ?
C16 C17 C18 C19 -2.9(10) . . . . ?
C16 C17 C18 C8 176.7(6) . . . . ?
C9 C8 C18 C17 -145.5(6) . . . . ?
C7 C8 C18 C17 33.0(8) . . . . ?
C9 C8 C18 C19 34.0(9) . . . . ?
C7 C8 C18 C19 -147.5(6) . . . . ?
C17 C18 C19 C20 -1.0(10) . . . . ?
C8 C18 C19 C20 179.4(6) . . . . ?
C18 C19 C20 N4 2.9(11) . . . . ?
N7 C21 C22 C23 -1.4(7) . . . . ?
C21 C22 C23 C24 5.4(7) . . . . ?
C21 C22 C23 C36 -174.3(4) . . . . ?
C22 C23 C24 C25 -4.9(7) . . . . ?
C36 C23 C24 C25 174.8(4) . . . . ?
C23 C24 C25 N7 0.4(7) . . . . ?
C23 C24 C25 C26 -175.5(4) . . . . ?
N7 C25 C26 N6 -6.8(5) . . . . ?
C24 C25 C26 N6 169.4(4) . . . . ?
N7 C25 C26 C27 174.4(4) . . . . ?
C24 C25 C26 C27 -9.4(7) . . . . ?
N6 C26 C27 C28 0.0(6) . . . . ?
C25 C26 C27 C28 178.6(4) . . . . ?
C26 C27 C28 C29 -1.3(6) . . . . ?
C26 C27 C28 C40 -176.9(4) . . . . ?
C27 C28 C29 C30 2.0(6) . . . . ?
C40 C28 C29 C30 177.6(4) . . . . ?
C28 C29 C30 N6 -1.4(7) . . . . ?
C28 C29 C30 C31 -177.4(4) . . . . ?
N6 C30 C31 N5 4.4(6) . . . . ?
C29 C30 C31 N5 -179.3(4) . . . . ?
N6 C30 C31 C32 -174.5(4) . . . . ?
C29 C30 C31 C32 1.8(8) . . . . ?
N5 C31 C32 C33 0.5(7) . . . . ?
C30 C31 C32 C33 179.3(4) . . . . ?
C31 C32 C33 C34 -0.5(7) . . . . ?
C31 C32 C33 C44 179.4(5) . . . . ?
C32 C33 C34 C35 0.2(7) . . . . ?
C44 C33 C34 C35 -179.8(5) . . . . ?
C33 C34 C35 N5 0.1(8) . . . . ?
C22 C23 C36 C37 9.9(7) . . . . ?
C24 C23 C36 C37 -169.7(4) . . . . ?
C22 C23 C36 C38 128.5(5) . . . . ?
C24 C23 C36 C38 -51.1(6) . . . . ?
C22 C23 C36 C39 -113.4(5) . . . . ?
C24 C23 C36 C39 67.0(6) . . . . ?
C27 C28 C40 C42 -45.7(5) . . . . ?
C29 C28 C40 C42 138.9(4) . . . . ?
C27 C28 C40 C41 74.5(5) . . . . ?
C29 C28 C40 C41 -100.9(5) . . . . ?
C27 C28 C40 C43 -165.4(4) . . . . ?
C29 C28 C40 C43 19.2(6) . . . . ?
C34 C33 C44 C47 -53.8(7) . . . . ?
C32 C33 C44 C47 126.3(5) . . . . ?
C34 C33 C44 C46 63.8(7) . . . . ?
C32 C33 C44 C46 -116.1(6) . . . . ?
C34 C33 C44 C45 -177.6(5) . . . . ?
C32 C33 C44 C45 2.5(8) . . . . ?
C2 C1 N1 C5 0.1(7) . . . . ?
C2 C1 N1 Ru1 -178.7(4) . . . . ?
C4 C5 N1 C1 -1.8(6) . . . . ?
C6 C5 N1 C1 179.9(4) . . . . ?
C4 C5 N1 Ru1 177.2(4) . . . . ?
C6 C5 N1 Ru1 -1.1(5) . . . . ?
C9 C10 N2 C6 1.6(7) . . . . ?
C11 C10 N2 C6 178.5(4) . . . . ?
C9 C10 N2 Ru1 -167.4(3) . . . . ?
C11 C10 N2 Ru1 9.4(5) . . . . ?
C7 C6 N2 C10 -1.8(7) . . . . ?
C5 C6 N2 C10 -179.5(4) . . . . ?
C7 C6 N2 Ru1 167.2(3) . . . . ?
C5 C6 N2 Ru1 -10.5(5) . . . . ?
C14 C15 N3 C11 -2.2(7) . . . . ?
C14 C15 N3 Ru1 175.0(4) . . . . ?
C12 C11 N3 C15 2.3(7) . . . . ?
C10 C11 N3 C15 -179.6(4) . . . . ?
C12 C11 N3 Ru1 -175.3(4) . . . . ?
C10 C11 N3 Ru1 2.8(5) . . . . ?
C17 C16 N4 C20 -3.4(13) . . . . ?
C19 C20 N4 C16 -0.5(13) . . . . ?
C34 C35 N5 C31 -0.1(7) . . . . ?
C34 C35 N5 Ru1 -177.4(3) . . . . ?
C32 C31 N5 C35 -0.2(6) . . . . ?
C30 C31 N5 C35 -179.1(4) . . . . ?
C32 C31 N5 Ru1 177.5(3) . . . . ?
C30 C31 N5 Ru1 -1.4(5) . . . . ?
C27 C26 N6 C30 0.7(6) . . . . ?
C25 C26 N6 C30 -178.2(4) . . . . ?
C27 C26 N6 Ru1 -177.0(3) . . . . ?
C25 C26 N6 Ru1 4.1(5) . . . . ?
C29 C30 N6 C26 0.0(6) . . . . ?
C31 C30 N6 C26 176.6(4) . . . . ?
C29 C30 N6 Ru1 177.7(3) . . . . ?
C31 C30 N6 Ru1 -5.7(5) . . . . ?
C24 C25 N7 C21 3.7(6) . . . . ?
C26 C25 N7 C21 180.0(4) . . . . ?
C24 C25 N7 Ru1 -169.8(3) . . . . ?
C26 C25 N7 Ru1 6.5(4) . . . . ?
C22 C21 N7 C25 -3.2(7) . . . . ?
C22 C21 N7 Ru1 169.1(3) . . . . ?

_refine_diff_density_max         0.395
_refine_diff_density_min         -0.420
_refine_diff_density_rms         0.073




