# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_20140930_takano_(hmb)RuCl(
_database_code_depnum_ccdc_archive 'CCDC 1036838'
_audit_update_record             
;
2014-12-01 deposited with the CCDC.
2015-01-05 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C67 H54 B F24 P Ru'
_chemical_formula_moiety         'C67 H54 B F24 P Ru'
_chemical_formula_weight         1457.98
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   12.6963(19)
_cell_length_b                   12.933(2)
_cell_length_c                   19.631(3)
_cell_angle_alpha                85.538(5)
_cell_angle_beta                 79.980(5)
_cell_angle_gamma                85.472(6)
_cell_volume                     3157.7(9)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9114
_cell_measurement_theta_min      2.60
_cell_measurement_theta_max      31.09
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1472.00
_exptl_absorpt_coefficient_mu    0.386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.818
_exptl_absorpt_correction_T_max  0.962

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.111
_diffrn_reflns_number            26184
_diffrn_reflns_av_R_equivalents  0.0438
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measured_fraction_theta_full 0.963
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             13950
_reflns_number_gt                10106
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0570
_refine_ls_wR_factor_ref         0.1439
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_reflns         13950
_refine_ls_number_parameters     848
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0682P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         0.950
_refine_diff_density_min         -1.030
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru -0.16767(2) 0.25537(2) 0.791187(14) 0.01627(9) Uani 1.0 2 d . . .
P1 P -0.03406(7) 0.15261(7) 0.83549(5) 0.01856(19) Uani 1.0 2 d . . .
F1 F 0.3936(3) 0.1211(3) 0.62877(16) 0.0385(8) Uiso 0.8000 2 d . . .
F2 F 0.42239(19) 0.22703(18) 0.69720(13) 0.0413(6) Uani 1.0 2 d . . .
F3 F 0.2591(3) 0.2015(3) 0.6853(3) 0.0436(11) Uiso 0.7000 2 d . . .
F4 F 0.40951(19) 0.12061(17) 0.94308(11) 0.0374(6) Uani 1.0 2 d . . .
F5 F 0.39991(17) -0.04127(16) 0.97360(11) 0.0305(5) Uani 1.0 2 d . . .
F6 F 0.25659(17) 0.0583(3) 0.97684(12) 0.0452(7) Uani 1.0 2 d . . .
F7 F -0.16028(17) -0.2123(2) 0.68287(13) 0.0448(7) Uani 1.0 2 d . . .
F8 F -0.06314(19) -0.08392(19) 0.64985(13) 0.0439(7) Uani 1.0 2 d . . .
F9 F -0.0085(2) -0.2353(3) 0.61681(13) 0.0576(9) Uani 1.0 2 d . . .
F10 F -0.17577(17) -0.2466(3) 0.93031(13) 0.0580(9) Uani 1.0 2 d . . .
F11 F -0.04537(18) -0.1966(3) 0.97120(12) 0.0455(7) Uani 1.0 2 d . . .
F12 F -0.0464(3) -0.3546(2) 0.95162(14) 0.0575(8) Uani 1.0 2 d . . .
F13 F 0.18317(16) -0.57205(17) 0.92566(13) 0.0375(6) Uani 1.0 2 d . . .
F14 F 0.28182(17) -0.63850(16) 0.83789(12) 0.0324(6) Uani 1.0 2 d . . .
F15 F 0.33158(18) -0.65847(16) 0.93722(13) 0.0366(6) Uani 1.0 2 d . . .
F16 F 0.67493(16) -0.3680(2) 0.83862(13) 0.0417(7) Uani 1.0 2 d . . .
F17 F 0.59921(17) -0.28767(16) 0.92780(13) 0.0381(6) Uani 1.0 2 d . . .
F18 F 0.63459(16) -0.45314(16) 0.93670(12) 0.0311(5) Uani 1.0 2 d . . .
F19 F 0.36396(19) -0.54869(18) 0.57897(14) 0.0468(7) Uani 1.0 2 d . . .
F20 F 0.3570(3) -0.4419(3) 0.49096(15) 0.0633(9) Uani 1.0 2 d . . .
F21 F 0.2234(3) -0.4390(3) 0.5662(2) 0.0410(10) Uiso 0.7000 2 d . . .
F22 F 0.64906(19) -0.2271(3) 0.50704(12) 0.0527(8) Uani 1.0 2 d . . .
F23 F 0.6454(2) -0.1425(3) 0.59699(15) 0.0623(9) Uani 1.0 2 d . . .
F24 F 0.70138(18) -0.3014(3) 0.59676(16) 0.0617(9) Uani 1.0 2 d . . .
F25 F 0.2624(5) 0.2295(5) 0.7047(4) 0.0095(13) Uiso 0.3000 2 d . . .
F26 F 0.3441(8) 0.1305(7) 0.6296(5) 0.0110(19) Uiso 0.2000 2 d . . .
F27 F 0.2202(6) -0.4695(6) 0.5915(4) 0.0207(16) Uiso 0.3000 2 d . . .
C1 C -0.1244(3) 0.2017(3) 0.67332(17) 0.0177(7) Uani 1.0 2 d . . .
C2 C -0.2015(3) 0.1380(3) 0.66715(17) 0.0159(7) Uani 1.0 2 d . . .
C3 C -0.2564(3) 0.0831(3) 0.73093(17) 0.0168(7) Uani 1.0 2 d . . .
C4 C -0.2427(3) 0.1184(3) 0.79567(17) 0.0160(7) Uani 1.0 2 d . . .
C5 C -0.0564(3) 0.2637(3) 0.61940(18) 0.0188(7) Uani 1.0 2 d . . .
C6 C 0.0483(3) 0.2768(3) 0.6283(2) 0.0257(8) Uani 1.0 2 d . . .
C7 C 0.1183(3) 0.3299(3) 0.5781(2) 0.0302(9) Uani 1.0 2 d . . .
C8 C 0.0841(3) 0.3736(3) 0.5186(2) 0.0321(9) Uani 1.0 2 d . . .
C9 C -0.0208(3) 0.3637(3) 0.5094(2) 0.0281(9) Uani 1.0 2 d . . .
C10 C -0.0907(3) 0.3092(3) 0.55903(18) 0.0229(8) Uani 1.0 2 d . . .
C11 C -0.2318(3) 0.1186(3) 0.59927(17) 0.0185(7) Uani 1.0 2 d . . .
C12 C -0.3372(3) 0.1382(3) 0.58881(19) 0.0270(9) Uani 1.0 2 d . . .
C13 C -0.3670(4) 0.1183(4) 0.5266(3) 0.0379(11) Uani 1.0 2 d . . .
C14 C -0.2908(4) 0.0789(4) 0.4738(3) 0.0420(11) Uani 1.0 2 d . . .
C15 C -0.1858(4) 0.0587(4) 0.4841(2) 0.0370(10) Uani 1.0 2 d . . .
C16 C -0.1555(3) 0.0790(3) 0.54621(19) 0.0264(8) Uani 1.0 2 d . . .
C17 C -0.3146(3) -0.0027(3) 0.72822(19) 0.0237(8) Uani 1.0 2 d . . .
C18 C -0.3603(3) -0.0563(3) 0.7882(2) 0.0276(9) Uani 1.0 2 d . . .
C19 C -0.3483(3) -0.0245(3) 0.8520(2) 0.0270(9) Uani 1.0 2 d . . .
C20 C -0.2908(3) 0.0620(3) 0.85534(18) 0.0212(8) Uani 1.0 2 d . . .
C21 C -0.3322(3) 0.3392(3) 0.8129(2) 0.0226(8) Uani 1.0 2 d . . .
C22 C -0.2790(3) 0.3867(3) 0.75181(19) 0.0236(8) Uani 1.0 2 d . . .
C23 C -0.1771(3) 0.4305(3) 0.75113(19) 0.0233(8) Uani 1.0 2 d . . .
C24 C -0.1301(3) 0.4232(3) 0.8112(2) 0.0236(8) Uani 1.0 2 d . . .
C25 C -0.1831(3) 0.3701(3) 0.87273(18) 0.0216(8) Uani 1.0 2 d . . .
C26 C -0.2833(3) 0.3269(3) 0.87433(18) 0.0210(8) Uani 1.0 2 d . . .
C27 C -0.4405(3) 0.2962(4) 0.8125(3) 0.0367(10) Uani 1.0 2 d . . .
C28 C -0.3288(4) 0.3989(4) 0.6867(2) 0.0375(10) Uani 1.0 2 d . . .
C29 C -0.1263(4) 0.4931(3) 0.6868(2) 0.0342(10) Uani 1.0 2 d . . .
C30 C -0.0275(3) 0.4765(3) 0.8103(3) 0.0377(11) Uani 1.0 2 d . . .
C31 C -0.1409(4) 0.3715(3) 0.9404(2) 0.0324(9) Uani 1.0 2 d . . .
C32 C -0.3419(4) 0.2804(3) 0.9420(2) 0.0343(10) Uani 1.0 2 d . . .
C33 C 0.0271(3) 0.0472(3) 0.7825(2) 0.0255(8) Uani 1.0 2 d . . .
C34 C 0.0822(3) 0.2198(3) 0.8459(2) 0.0253(8) Uani 1.0 2 d . . .
C35 C -0.0675(3) 0.0828(3) 0.9200(2) 0.0302(9) Uani 1.0 2 d . . .
C36 C 0.3203(3) -0.1107(3) 0.78580(17) 0.0145(7) Uani 1.0 2 d . . .
C37 C 0.3296(3) -0.0286(3) 0.73446(17) 0.0185(7) Uani 1.0 2 d . . .
C38 C 0.3474(3) 0.0721(3) 0.74831(17) 0.0180(7) Uani 1.0 2 d . . .
C39 C 0.3572(3) 0.0951(3) 0.81451(17) 0.0182(7) Uani 1.0 2 d . . .
C40 C 0.3479(3) 0.0164(3) 0.86643(17) 0.0161(7) Uani 1.0 2 d . . .
C41 C 0.3289(3) -0.0838(3) 0.85255(17) 0.0175(7) Uani 1.0 2 d . . .
C42 C 0.3530(3) 0.1567(3) 0.69201(19) 0.0243(8) Uani 1.0 2 d . . .
C43 C 0.3539(3) 0.0386(3) 0.93933(18) 0.0221(8) Uani 1.0 2 d . . .
C44 C 0.1636(3) -0.2266(3) 0.77857(17) 0.0178(7) Uani 1.0 2 d . . .
C45 C 0.1067(3) -0.2078(3) 0.72309(18) 0.0198(7) Uani 1.0 2 d . . .
C46 C -0.0051(3) -0.2055(3) 0.73272(18) 0.0185(7) Uani 1.0 2 d . . .
C47 C -0.0654(3) -0.2205(3) 0.79800(18) 0.0188(7) Uani 1.0 2 d . . .
C48 C -0.0111(3) -0.2371(3) 0.85418(18) 0.0201(7) Uani 1.0 2 d . . .
C49 C 0.1009(3) -0.2399(3) 0.84408(17) 0.0175(7) Uani 1.0 2 d . . .
C50 C -0.0595(3) -0.1848(3) 0.6707(2) 0.0258(8) Uani 1.0 2 d . . .
C51 C -0.0712(3) -0.2580(4) 0.9257(2) 0.0291(9) Uani 1.0 2 d . . .
C52 C 0.3427(3) -0.3166(3) 0.82162(17) 0.0184(7) Uani 1.0 2 d . . .
C53 C 0.2948(3) -0.4106(3) 0.84166(18) 0.0182(7) Uani 1.0 2 d . . .
C54 C 0.3425(3) -0.4913(3) 0.87885(17) 0.0187(7) Uani 1.0 2 d . . .
C55 C 0.4416(3) -0.4831(3) 0.89783(17) 0.0188(7) Uani 1.0 2 d . . .
C56 C 0.4915(3) -0.3907(3) 0.87834(18) 0.0193(7) Uani 1.0 2 d . . .
C57 C 0.4432(3) -0.3106(3) 0.84074(17) 0.0171(7) Uani 1.0 2 d . . .
C58 C 0.2859(3) -0.5894(3) 0.89569(19) 0.0230(8) Uani 1.0 2 d . . .
C59 C 0.5993(3) -0.3750(3) 0.89542(19) 0.0233(8) Uani 1.0 2 d . . .
C60 C 0.3559(3) -0.2601(3) 0.69286(17) 0.0186(7) Uani 1.0 2 d . . .
C61 C 0.3178(3) -0.3348(3) 0.65717(19) 0.0231(8) Uani 1.0 2 d . . .
C62 C 0.3743(3) -0.3717(3) 0.5961(2) 0.0264(9) Uani 1.0 2 d . . .
C63 C 0.4741(3) -0.3378(3) 0.56870(19) 0.0265(9) Uani 1.0 2 d . . .
C64 C 0.5153(3) -0.2658(3) 0.60339(18) 0.0221(8) Uani 1.0 2 d . . .
C65 C 0.4578(3) -0.2273(3) 0.66395(17) 0.0188(7) Uani 1.0 2 d . . .
C66 C 0.3293(3) -0.4519(4) 0.5604(3) 0.0371(11) Uani 1.0 2 d . . .
C67 C 0.6273(3) -0.2329(4) 0.5762(2) 0.0329(10) Uani 1.0 2 d . . .
B1 B 0.2944(3) -0.2273(3) 0.7691(2) 0.0166(8) Uani 1.0 2 d . . .
H1 H -0.088(3) 0.180(3) 0.720(3) 0.037(12) Uiso 1.0 2 d . . .
H6 H 0.0720 0.2487 0.6696 0.0308 Uiso 1.0 2 calc R . .
H7 H 0.1898 0.3362 0.5847 0.0363 Uiso 1.0 2 calc R . .
H8 H 0.1319 0.4103 0.4842 0.0385 Uiso 1.0 2 calc R . .
H9 H -0.0447 0.3945 0.4688 0.0337 Uiso 1.0 2 calc R . .
H10 H -0.1621 0.3026 0.5521 0.0275 Uiso 1.0 2 calc R . .
H12 H -0.3896 0.1655 0.6247 0.0324 Uiso 1.0 2 calc R . .
H13 H -0.4393 0.1317 0.5201 0.0455 Uiso 1.0 2 calc R . .
H14 H -0.3105 0.0659 0.4309 0.0504 Uiso 1.0 2 calc R . .
H15 H -0.1338 0.0306 0.4483 0.0444 Uiso 1.0 2 calc R . .
H16 H -0.0830 0.0660 0.5524 0.0317 Uiso 1.0 2 calc R . .
H17 H -0.3231 -0.0246 0.6845 0.0285 Uiso 1.0 2 calc R . .
H18 H -0.3998 -0.1148 0.7857 0.0331 Uiso 1.0 2 calc R . .
H19 H -0.3792 -0.0616 0.8935 0.0323 Uiso 1.0 2 calc R . .
H20 H -0.2841 0.0834 0.8995 0.0254 Uiso 1.0 2 calc R . .
H27A H -0.4319 0.2425 0.7790 0.0440 Uiso 1.0 2 calc R . .
H27B H -0.4908 0.3525 0.7994 0.0440 Uiso 1.0 2 calc R . .
H27C H -0.4683 0.2659 0.8588 0.0440 Uiso 1.0 2 calc R . .
H28A H -0.2740 0.3826 0.6466 0.0450 Uiso 1.0 2 calc R . .
H28B H -0.3584 0.4706 0.6804 0.0450 Uiso 1.0 2 calc R . .
H28C H -0.3863 0.3513 0.6910 0.0450 Uiso 1.0 2 calc R . .
H29A H -0.0532 0.4638 0.6714 0.0410 Uiso 1.0 2 calc R . .
H29B H -0.1240 0.5655 0.6977 0.0410 Uiso 1.0 2 calc R . .
H29C H -0.1688 0.4904 0.6499 0.0410 Uiso 1.0 2 calc R . .
H30A H -0.0401 0.5514 0.8001 0.0452 Uiso 1.0 2 calc R . .
H30B H 0.0288 0.4483 0.7746 0.0452 Uiso 1.0 2 calc R . .
H30C H -0.0050 0.4642 0.8557 0.0452 Uiso 1.0 2 calc R . .
H31A H -0.1422 0.4435 0.9532 0.0388 Uiso 1.0 2 calc R . .
H31B H -0.0672 0.3407 0.9348 0.0388 Uiso 1.0 2 calc R . .
H31C H -0.1862 0.3314 0.9770 0.0388 Uiso 1.0 2 calc R . .
H32A H -0.2903 0.2406 0.9674 0.0411 Uiso 1.0 2 calc R . .
H32B H -0.3945 0.2342 0.9326 0.0411 Uiso 1.0 2 calc R . .
H32C H -0.3787 0.3362 0.9700 0.0411 Uiso 1.0 2 calc R . .
H33A H -0.0274 -0.0008 0.7787 0.0306 Uiso 1.0 2 calc R . .
H33B H 0.0843 0.0097 0.8041 0.0306 Uiso 1.0 2 calc R . .
H33C H 0.0573 0.0758 0.7361 0.0306 Uiso 1.0 2 calc R . .
H34A H 0.1102 0.2574 0.8021 0.0304 Uiso 1.0 2 calc R . .
H34B H 0.1377 0.1690 0.8592 0.0304 Uiso 1.0 2 calc R . .
H34C H 0.0612 0.2691 0.8821 0.0304 Uiso 1.0 2 calc R . .
H35A H -0.1150 0.0279 0.9166 0.0363 Uiso 1.0 2 calc R . .
H35B H -0.1039 0.1312 0.9539 0.0363 Uiso 1.0 2 calc R . .
H35C H -0.0017 0.0516 0.9349 0.0363 Uiso 1.0 2 calc R . .
H37 H 0.3234 -0.0421 0.6885 0.0222 Uiso 1.0 2 calc R . .
H39 H 0.3702 0.1635 0.8240 0.0218 Uiso 1.0 2 calc R . .
H41 H 0.3214 -0.1360 0.8896 0.0209 Uiso 1.0 2 calc R . .
H45 H 0.1455 -0.1964 0.6775 0.0237 Uiso 1.0 2 calc R . .
H47 H -0.1413 -0.2195 0.8044 0.0225 Uiso 1.0 2 calc R . .
H49 H 0.1357 -0.2513 0.8834 0.0210 Uiso 1.0 2 calc R . .
H53 H 0.2271 -0.4195 0.8293 0.0219 Uiso 1.0 2 calc R . .
H55 H 0.4742 -0.5385 0.9232 0.0225 Uiso 1.0 2 calc R . .
H57 H 0.4799 -0.2491 0.8274 0.0205 Uiso 1.0 2 calc R . .
H61 H 0.2503 -0.3614 0.6756 0.0277 Uiso 1.0 2 calc R . .
H63 H 0.5135 -0.3635 0.5270 0.0318 Uiso 1.0 2 calc R . .
H65 H 0.4882 -0.1774 0.6864 0.0226 Uiso 1.0 2 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    SIR97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ru1 P1 2.3190(10) yes . .
Ru1 C1 2.426(4) yes . .
Ru1 C4 2.065(4) yes . .
Ru1 C21 2.264(4) yes . .
Ru1 C22 2.298(4) yes . .
Ru1 C23 2.340(4) yes . .
Ru1 C24 2.336(4) yes . .
Ru1 C25 2.240(4) yes . .
Ru1 C26 2.205(4) yes . .
P1 C33 1.822(4) yes . .
P1 C34 1.819(4) yes . .
P1 C35 1.825(4) yes . .
F1 F26 0.628(11) yes . .
F1 C42 1.359(5) yes . .
F2 C42 1.336(5) yes . .
F3 F25 0.555(8) yes . .
F3 F26 1.670(10) yes . .
F3 C42 1.307(6) yes . .
F4 C43 1.333(5) yes . .
F5 C43 1.339(4) yes . .
F6 C43 1.340(4) yes . .
F7 C50 1.331(5) yes . .
F8 C50 1.337(5) yes . .
F9 C50 1.328(5) yes . .
F10 C51 1.313(5) yes . .
F11 C51 1.337(6) yes . .
F12 C51 1.348(5) yes . .
F13 C58 1.343(4) yes . .
F14 C58 1.353(5) yes . .
F15 C58 1.330(5) yes . .
F16 C59 1.341(4) yes . .
F17 C59 1.339(5) yes . .
F18 C59 1.344(5) yes . .
F19 C66 1.339(5) yes . .
F20 C66 1.346(6) yes . .
F21 F27 0.608(9) yes . .
F21 C66 1.328(6) yes . .
F22 C67 1.336(5) yes . .
F23 C67 1.318(6) yes . .
F24 C67 1.333(5) yes . .
F25 C42 1.428(7) yes . .
F26 C42 1.322(11) yes . .
F27 C66 1.441(8) yes . .
C1 C2 1.354(5) yes . .
C1 C5 1.473(5) yes . .
C2 C3 1.481(5) yes . .
C2 C11 1.494(5) yes . .
C3 C4 1.426(5) yes . .
C3 C17 1.390(5) yes . .
C4 C20 1.402(5) yes . .
C5 C6 1.395(5) yes . .
C5 C10 1.404(5) yes . .
C6 C7 1.385(5) yes . .
C7 C8 1.381(6) yes . .
C8 C9 1.392(6) yes . .
C9 C10 1.388(5) yes . .
C11 C12 1.390(5) yes . .
C11 C16 1.392(5) yes . .
C12 C13 1.388(7) yes . .
C13 C14 1.387(6) yes . .
C14 C15 1.385(7) yes . .
C15 C16 1.390(6) yes . .
C17 C18 1.379(5) yes . .
C18 C19 1.385(6) yes . .
C19 C20 1.395(6) yes . .
C21 C22 1.393(5) yes . .
C21 C26 1.443(6) yes . .
C21 C27 1.524(6) yes . .
C22 C23 1.450(6) yes . .
C22 C28 1.514(6) yes . .
C23 C24 1.405(6) yes . .
C23 C29 1.518(5) yes . .
C24 C25 1.431(5) yes . .
C24 C30 1.517(6) yes . .
C25 C26 1.424(5) yes . .
C25 C31 1.519(6) yes . .
C26 C32 1.511(5) yes . .
C36 C37 1.403(5) yes . .
C36 C41 1.406(5) yes . .
C36 B1 1.637(6) yes . .
C37 C38 1.394(5) yes . .
C38 C39 1.384(5) yes . .
C38 C42 1.490(5) yes . .
C39 C40 1.380(5) yes . .
C40 C41 1.393(5) yes . .
C40 C43 1.497(5) yes . .
C44 C45 1.404(5) yes . .
C44 C49 1.396(5) yes . .
C44 B1 1.639(5) yes . .
C45 C46 1.397(5) yes . .
C46 C47 1.382(5) yes . .
C46 C50 1.499(6) yes . .
C47 C48 1.394(6) yes . .
C48 C49 1.399(5) yes . .
C48 C51 1.492(5) yes . .
C52 C53 1.401(5) yes . .
C52 C57 1.401(5) yes . .
C52 B1 1.642(5) yes . .
C53 C54 1.388(5) yes . .
C54 C55 1.386(5) yes . .
C54 C58 1.494(5) yes . .
C55 C56 1.394(5) yes . .
C56 C57 1.390(5) yes . .
C56 C59 1.497(6) yes . .
C60 C61 1.399(6) yes . .
C60 C65 1.404(5) yes . .
C60 B1 1.633(5) yes . .
C61 C62 1.384(5) yes . .
C62 C63 1.378(5) yes . .
C62 C66 1.497(7) yes . .
C63 C64 1.381(6) yes . .
C64 C65 1.389(5) yes . .
C64 C67 1.511(6) yes . .
Ru1 H1 1.87(4) no . .
C1 H1 1.10(5) no . .
C6 H6 0.950 no . .
C7 H7 0.950 no . .
C8 H8 0.950 no . .
C9 H9 0.950 no . .
C10 H10 0.950 no . .
C12 H12 0.950 no . .
C13 H13 0.950 no . .
C14 H14 0.950 no . .
C15 H15 0.950 no . .
C16 H16 0.950 no . .
C17 H17 0.950 no . .
C18 H18 0.950 no . .
C19 H19 0.950 no . .
C20 H20 0.950 no . .
C27 H27A 0.980 no . .
C27 H27B 0.980 no . .
C27 H27C 0.980 no . .
C28 H28A 0.980 no . .
C28 H28B 0.980 no . .
C28 H28C 0.980 no . .
C29 H29A 0.980 no . .
C29 H29B 0.980 no . .
C29 H29C 0.980 no . .
C30 H30A 0.980 no . .
C30 H30B 0.980 no . .
C30 H30C 0.980 no . .
C31 H31A 0.980 no . .
C31 H31B 0.980 no . .
C31 H31C 0.980 no . .
C32 H32A 0.980 no . .
C32 H32B 0.980 no . .
C32 H32C 0.980 no . .
C33 H33A 0.980 no . .
C33 H33B 0.980 no . .
C33 H33C 0.980 no . .
C34 H34A 0.980 no . .
C34 H34B 0.980 no . .
C34 H34C 0.980 no . .
C35 H35A 0.980 no . .
C35 H35B 0.980 no . .
C35 H35C 0.980 no . .
C37 H37 0.950 no . .
C39 H39 0.950 no . .
C41 H41 0.950 no . .
C45 H45 0.950 no . .
C47 H47 0.950 no . .
C49 H49 0.950 no . .
C53 H53 0.950 no . .
C55 H55 0.950 no . .
C57 H57 0.950 no . .
C61 H61 0.950 no . .
C63 H63 0.950 no . .
C65 H65 0.950 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
P1 Ru1 C1 97.31(9) yes . . .
P1 Ru1 C4 84.86(10) yes . . .
P1 Ru1 C21 147.16(10) yes . . .
P1 Ru1 C22 167.39(10) yes . . .
P1 Ru1 C23 131.53(10) yes . . .
P1 Ru1 C24 102.78(10) yes . . .
P1 Ru1 C25 93.49(10) yes . . .
P1 Ru1 C26 111.44(10) yes . . .
C1 Ru1 C4 76.32(12) yes . . .
C1 Ru1 C21 112.02(13) yes . . .
C1 Ru1 C22 87.80(12) yes . . .
C1 Ru1 C23 91.08(12) yes . . .
C1 Ru1 C24 117.92(12) yes . . .
C1 Ru1 C25 154.12(12) yes . . .
C1 Ru1 C26 149.56(13) yes . . .
C4 Ru1 C21 87.97(13) yes . . .
C4 Ru1 C22 107.60(13) yes . . .
C4 Ru1 C23 143.15(14) yes . . .
C4 Ru1 C24 162.16(12) yes . . .
C4 Ru1 C25 128.23(12) yes . . .
C4 Ru1 C26 95.93(13) yes . . .
C21 Ru1 C22 35.55(13) yes . . .
C21 Ru1 C23 64.60(12) yes . . .
C21 Ru1 C24 76.86(13) yes . . .
C21 Ru1 C25 66.45(14) yes . . .
C21 Ru1 C26 37.64(14) yes . . .
C22 Ru1 C23 36.43(13) yes . . .
C22 Ru1 C24 64.72(14) yes . . .
C22 Ru1 C25 77.38(14) yes . . .
C22 Ru1 C26 66.23(13) yes . . .
C23 Ru1 C24 34.98(14) yes . . .
C23 Ru1 C25 64.44(13) yes . . .
C23 Ru1 C26 77.53(12) yes . . .
C24 Ru1 C25 36.36(13) yes . . .
C24 Ru1 C26 66.31(13) yes . . .
C25 Ru1 C26 37.35(13) yes . . .
Ru1 P1 C33 115.00(14) yes . . .
Ru1 P1 C34 115.40(12) yes . . .
Ru1 P1 C35 118.80(13) yes . . .
C33 P1 C34 102.01(17) yes . . .
C33 P1 C35 101.03(17) yes . . .
C34 P1 C35 102.13(19) yes . . .
F26 F1 C42 73.2(9) yes . . .
F25 F3 F26 136.4(9) yes . . .
F25 F3 C42 90.9(8) yes . . .
F26 F3 C42 50.9(4) yes . . .
F27 F21 C66 88.0(8) yes . . .
F3 F25 C42 66.3(7) yes . . .
F1 F26 F3 127.6(12) yes . . .
F1 F26 C42 79.8(10) yes . . .
F3 F26 C42 50.2(4) yes . . .
F21 F27 C66 67.1(7) yes . . .
Ru1 C1 C2 105.4(2) yes . . .
Ru1 C1 C5 120.6(3) yes . . .
C2 C1 C5 129.7(4) yes . . .
C1 C2 C3 118.0(4) yes . . .
C1 C2 C11 123.3(3) yes . . .
C3 C2 C11 118.6(3) yes . . .
C2 C3 C4 117.3(3) yes . . .
C2 C3 C17 121.6(4) yes . . .
C4 C3 C17 121.0(3) yes . . .
Ru1 C4 C3 116.2(3) yes . . .
Ru1 C4 C20 127.1(3) yes . . .
C3 C4 C20 116.3(3) yes . . .
C1 C5 C6 118.2(4) yes . . .
C1 C5 C10 123.5(4) yes . . .
C6 C5 C10 118.2(3) yes . . .
C5 C6 C7 121.3(4) yes . . .
C6 C7 C8 120.1(4) yes . . .
C7 C8 C9 119.6(4) yes . . .
C8 C9 C10 120.6(4) yes . . .
C5 C10 C9 120.2(4) yes . . .
C2 C11 C12 120.2(3) yes . . .
C2 C11 C16 120.6(3) yes . . .
C12 C11 C16 119.1(4) yes . . .
C11 C12 C13 120.8(4) yes . . .
C12 C13 C14 119.9(4) yes . . .
C13 C14 C15 119.5(5) yes . . .
C14 C15 C16 120.9(4) yes . . .
C11 C16 C15 119.8(4) yes . . .
C3 C17 C18 120.8(4) yes . . .
C17 C18 C19 119.8(4) yes . . .
C18 C19 C20 119.8(4) yes . . .
C4 C20 C19 122.2(4) yes . . .
Ru1 C21 C22 73.6(2) yes . . .
Ru1 C21 C26 68.96(18) yes . . .
Ru1 C21 C27 127.9(3) yes . . .
C22 C21 C26 120.4(4) yes . . .
C22 C21 C27 118.7(4) yes . . .
C26 C21 C27 120.8(4) yes . . .
Ru1 C22 C21 70.9(2) yes . . .
Ru1 C22 C23 73.4(2) yes . . .
Ru1 C22 C28 130.7(3) yes . . .
C21 C22 C23 119.9(4) yes . . .
C21 C22 C28 121.0(4) yes . . .
C23 C22 C28 119.1(3) yes . . .
Ru1 C23 C22 70.22(19) yes . . .
Ru1 C23 C24 72.4(2) yes . . .
Ru1 C23 C29 135.3(3) yes . . .
C22 C23 C24 120.6(3) yes . . .
C22 C23 C29 119.4(4) yes . . .
C24 C23 C29 119.8(4) yes . . .
Ru1 C24 C23 72.7(2) yes . . .
Ru1 C24 C25 68.2(2) yes . . .
Ru1 C24 C30 134.1(3) yes . . .
C23 C24 C25 119.0(4) yes . . .
C23 C24 C30 119.3(4) yes . . .
C25 C24 C30 121.6(4) yes . . .
Ru1 C25 C24 75.5(2) yes . . .
Ru1 C25 C26 70.0(2) yes . . .
Ru1 C25 C31 134.2(3) yes . . .
C24 C25 C26 121.1(4) yes . . .
C24 C25 C31 120.1(4) yes . . .
C26 C25 C31 118.3(3) yes . . .
Ru1 C26 C21 73.39(19) yes . . .
Ru1 C26 C25 72.65(19) yes . . .
Ru1 C26 C32 131.1(3) yes . . .
C21 C26 C25 118.8(3) yes . . .
C21 C26 C32 121.3(4) yes . . .
C25 C26 C32 119.5(4) yes . . .
C37 C36 C41 115.1(3) yes . . .
C37 C36 B1 121.7(3) yes . . .
C41 C36 B1 123.1(3) yes . . .
C36 C37 C38 122.6(4) yes . . .
C37 C38 C39 120.6(3) yes . . .
C37 C38 C42 120.0(4) yes . . .
C39 C38 C42 119.4(3) yes . . .
C38 C39 C40 118.5(4) yes . . .
C39 C40 C41 120.8(4) yes . . .
C39 C40 C43 120.3(3) yes . . .
C41 C40 C43 118.9(3) yes . . .
C36 C41 C40 122.5(3) yes . . .
F1 C42 F2 101.4(3) yes . . .
F1 C42 F3 104.8(4) yes . . .
F1 C42 F25 123.9(4) yes . . .
F1 C42 F26 27.1(5) yes . . .
F1 C42 C38 112.2(3) yes . . .
F2 C42 F3 111.1(4) yes . . .
F2 C42 F25 93.2(4) yes . . .
F2 C42 F26 118.5(5) yes . . .
F2 C42 C38 113.3(4) yes . . .
F3 C42 F25 22.9(4) yes . . .
F3 C42 F26 78.9(5) yes . . .
F3 C42 C38 113.1(3) yes . . .
F25 C42 F26 100.0(6) yes . . .
F25 C42 C38 110.5(4) yes . . .
F26 C42 C38 117.0(5) yes . . .
F4 C43 F5 106.3(3) yes . . .
F4 C43 F6 106.3(3) yes . . .
F4 C43 C40 113.1(3) yes . . .
F5 C43 F6 105.9(3) yes . . .
F5 C43 C40 112.7(3) yes . . .
F6 C43 C40 112.0(3) yes . . .
C45 C44 C49 115.6(3) yes . . .
C45 C44 B1 123.2(3) yes . . .
C49 C44 B1 121.2(3) yes . . .
C44 C45 C46 122.1(3) yes . . .
C45 C46 C47 121.2(4) yes . . .
C45 C46 C50 118.7(3) yes . . .
C47 C46 C50 120.0(3) yes . . .
C46 C47 C48 117.8(3) yes . . .
C47 C48 C49 120.6(3) yes . . .
C47 C48 C51 120.5(3) yes . . .
C49 C48 C51 118.9(4) yes . . .
C44 C49 C48 122.6(4) yes . . .
F7 C50 F8 106.6(3) yes . . .
F7 C50 F9 107.2(4) yes . . .
F7 C50 C46 112.7(3) yes . . .
F8 C50 F9 106.5(3) yes . . .
F8 C50 C46 111.5(4) yes . . .
F9 C50 C46 112.0(3) yes . . .
F10 C51 F11 106.6(3) yes . . .
F10 C51 F12 107.6(4) yes . . .
F10 C51 C48 114.0(4) yes . . .
F11 C51 F12 103.7(4) yes . . .
F11 C51 C48 112.5(4) yes . . .
F12 C51 C48 111.6(3) yes . . .
C53 C52 C57 115.1(3) yes . . .
C53 C52 B1 122.5(3) yes . . .
C57 C52 B1 121.7(3) yes . . .
C52 C53 C54 122.5(4) yes . . .
C53 C54 C55 121.3(3) yes . . .
C53 C54 C58 118.0(4) yes . . .
C55 C54 C58 120.7(3) yes . . .
C54 C55 C56 117.6(3) yes . . .
C55 C56 C57 120.6(4) yes . . .
C55 C56 C59 121.5(3) yes . . .
C57 C56 C59 117.9(3) yes . . .
C52 C57 C56 122.9(3) yes . . .
F13 C58 F14 105.2(3) yes . . .
F13 C58 F15 107.2(3) yes . . .
F13 C58 C54 112.4(3) yes . . .
F14 C58 F15 106.0(3) yes . . .
F14 C58 C54 111.6(3) yes . . .
F15 C58 C54 113.9(4) yes . . .
F16 C59 F17 106.5(3) yes . . .
F16 C59 F18 106.0(3) yes . . .
F16 C59 C56 112.2(4) yes . . .
F17 C59 F18 106.7(3) yes . . .
F17 C59 C56 112.1(3) yes . . .
F18 C59 C56 113.0(3) yes . . .
C61 C60 C65 115.5(3) yes . . .
C61 C60 B1 121.8(3) yes . . .
C65 C60 B1 122.0(4) yes . . .
C60 C61 C62 122.7(4) yes . . .
C61 C62 C63 120.6(4) yes . . .
C61 C62 C66 120.2(4) yes . . .
C63 C62 C66 119.2(4) yes . . .
C62 C63 C64 118.3(4) yes . . .
C63 C64 C65 121.2(4) yes . . .
C63 C64 C67 118.7(4) yes . . .
C65 C64 C67 120.0(4) yes . . .
C60 C65 C64 121.7(4) yes . . .
F19 C66 F20 105.5(4) yes . . .
F19 C66 F21 113.3(4) yes . . .
F19 C66 F27 92.4(4) yes . . .
F19 C66 C62 112.3(4) yes . . .
F20 C66 F21 99.8(4) yes . . .
F20 C66 F27 120.1(5) yes . . .
F20 C66 C62 112.8(4) yes . . .
F21 C66 F27 25.0(4) yes . . .
F21 C66 C62 112.3(4) yes . . .
F27 C66 C62 111.6(5) yes . . .
F22 C67 F23 107.6(4) yes . . .
F22 C67 F24 105.5(3) yes . . .
F22 C67 C64 112.0(4) yes . . .
F23 C67 F24 106.3(4) yes . . .
F23 C67 C64 113.4(4) yes . . .
F24 C67 C64 111.6(4) yes . . .
C36 B1 C44 105.8(3) yes . . .
C36 B1 C52 111.2(3) yes . . .
C36 B1 C60 112.4(3) yes . . .
C44 B1 C52 111.3(3) yes . . .
C44 B1 C60 113.6(3) yes . . .
C52 B1 C60 102.6(3) yes . . .
P1 Ru1 H1 71.6(13) no . . .
C1 Ru1 H1 25.7(13) no . . .
C4 Ru1 H1 75.0(12) no . . .
C21 Ru1 H1 136.7(13) no . . .
C22 Ru1 H1 112.9(13) no . . .
C23 Ru1 H1 107.6(12) no . . .
C24 Ru1 H1 122.6(12) no . . .
C25 Ru1 H1 152.2(13) no . . .
C26 Ru1 H1 170.3(13) no . . .
Ru1 C1 H1 48(2) no . . .
C2 C1 H1 112(2) no . . .
C5 C1 H1 114(2) no . . .
C5 C6 H6 119.362 no . . .
C7 C6 H6 119.353 no . . .
C6 C7 H7 119.962 no . . .
C8 C7 H7 119.964 no . . .
C7 C8 H8 120.200 no . . .
C9 C8 H8 120.206 no . . .
C8 C9 H9 119.716 no . . .
C10 C9 H9 119.726 no . . .
C5 C10 H10 119.885 no . . .
C9 C10 H10 119.895 no . . .
C11 C12 H12 119.584 no . . .
C13 C12 H12 119.572 no . . .
C12 C13 H13 120.045 no . . .
C14 C13 H13 120.071 no . . .
C13 C14 H14 120.270 no . . .
C15 C14 H14 120.263 no . . .
C14 C15 H15 119.566 no . . .
C16 C15 H15 119.570 no . . .
C11 C16 H16 120.102 no . . .
C15 C16 H16 120.108 no . . .
C3 C17 H17 119.609 no . . .
C18 C17 H17 119.601 no . . .
C17 C18 H18 120.084 no . . .
C19 C18 H18 120.071 no . . .
C18 C19 H19 120.093 no . . .
C20 C19 H19 120.094 no . . .
C4 C20 H20 118.902 no . . .
C19 C20 H20 118.888 no . . .
C21 C27 H27A 109.473 no . . .
C21 C27 H27B 109.471 no . . .
C21 C27 H27C 109.470 no . . .
H27A C27 H27B 109.469 no . . .
H27A C27 H27C 109.471 no . . .
H27B C27 H27C 109.472 no . . .
C22 C28 H28A 109.467 no . . .
C22 C28 H28B 109.463 no . . .
C22 C28 H28C 109.472 no . . .
H28A C28 H28B 109.475 no . . .
H28A C28 H28C 109.469 no . . .
H28B C28 H28C 109.480 no . . .
C23 C29 H29A 109.474 no . . .
C23 C29 H29B 109.480 no . . .
C23 C29 H29C 109.477 no . . .
H29A C29 H29B 109.467 no . . .
H29A C29 H29C 109.468 no . . .
H29B C29 H29C 109.462 no . . .
C24 C30 H30A 109.465 no . . .
C24 C30 H30B 109.477 no . . .
C24 C30 H30C 109.465 no . . .
H30A C30 H30B 109.475 no . . .
H30A C30 H30C 109.470 no . . .
H30B C30 H30C 109.474 no . . .
C25 C31 H31A 109.474 no . . .
C25 C31 H31B 109.468 no . . .
C25 C31 H31C 109.466 no . . .
H31A C31 H31B 109.474 no . . .
H31A C31 H31C 109.475 no . . .
H31B C31 H31C 109.471 no . . .
C26 C32 H32A 109.470 no . . .
C26 C32 H32B 109.460 no . . .
C26 C32 H32C 109.473 no . . .
H32A C32 H32B 109.476 no . . .
H32A C32 H32C 109.475 no . . .
H32B C32 H32C 109.474 no . . .
P1 C33 H33A 109.474 no . . .
P1 C33 H33B 109.462 no . . .
P1 C33 H33C 109.474 no . . .
H33A C33 H33B 109.475 no . . .
H33A C33 H33C 109.472 no . . .
H33B C33 H33C 109.471 no . . .
P1 C34 H34A 109.474 no . . .
P1 C34 H34B 109.467 no . . .
P1 C34 H34C 109.471 no . . .
H34A C34 H34B 109.474 no . . .
H34A C34 H34C 109.474 no . . .
H34B C34 H34C 109.468 no . . .
P1 C35 H35A 109.466 no . . .
P1 C35 H35B 109.469 no . . .
P1 C35 H35C 109.475 no . . .
H35A C35 H35B 109.467 no . . .
H35A C35 H35C 109.472 no . . .
H35B C35 H35C 109.479 no . . .
C36 C37 H37 118.721 no . . .
C38 C37 H37 118.725 no . . .
C38 C39 H39 120.767 no . . .
C40 C39 H39 120.774 no . . .
C36 C41 H41 118.758 no . . .
C40 C41 H41 118.763 no . . .
C44 C45 H45 118.938 no . . .
C46 C45 H45 118.939 no . . .
C46 C47 H47 121.090 no . . .
C48 C47 H47 121.099 no . . .
C44 C49 H49 118.688 no . . .
C48 C49 H49 118.692 no . . .
C52 C53 H53 118.765 no . . .
C54 C53 H53 118.780 no . . .
C54 C55 H55 121.203 no . . .
C56 C55 H55 121.218 no . . .
C52 C57 H57 118.548 no . . .
C56 C57 H57 118.538 no . . .
C60 C61 H61 118.625 no . . .
C62 C61 H61 118.631 no . . .
C62 C63 H63 120.857 no . . .
C64 C63 H63 120.854 no . . .
C60 C65 H65 119.130 no . . .
C64 C65 H65 119.143 no . . .
Ru1 H1 C1 107(3) no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
P1 Ru1 C1 C2 105.43(17) no . . . .
P1 Ru1 C1 C5 -96.0(2) no . . . .
C1 Ru1 P1 C33 -16.55(9) no . . . .
C1 Ru1 P1 C34 101.85(9) no . . . .
C1 Ru1 P1 C35 -136.38(10) no . . . .
P1 Ru1 C4 C3 -115.37(18) no . . . .
P1 Ru1 C4 C20 71.3(3) no . . . .
C4 Ru1 P1 C33 58.91(10) no . . . .
C4 Ru1 P1 C34 177.31(10) no . . . .
C4 Ru1 P1 C35 -60.92(10) no . . . .
P1 Ru1 C21 C22 157.97(8) no . . . .
P1 Ru1 C21 C26 25.2(3) no . . . .
P1 Ru1 C21 C27 -88.1(4) no . . . .
C21 Ru1 P1 C33 137.07(18) no . . . .
C21 Ru1 P1 C34 -104.52(18) no . . . .
C21 Ru1 P1 C35 17.2(2) no . . . .
P1 Ru1 C23 C22 -174.42(6) no . . . .
P1 Ru1 C23 C24 -41.41(18) no . . . .
P1 Ru1 C23 C29 73.4(4) no . . . .
C23 Ru1 P1 C33 -114.54(13) no . . . .
C23 Ru1 P1 C34 3.86(14) no . . . .
C23 Ru1 P1 C35 125.63(13) no . . . .
P1 Ru1 C24 C23 149.48(11) no . . . .
P1 Ru1 C24 C25 -78.30(13) no . . . .
P1 Ru1 C24 C30 35.2(4) no . . . .
C24 Ru1 P1 C33 -137.43(10) no . . . .
C24 Ru1 P1 C34 -19.02(11) no . . . .
C24 Ru1 P1 C35 102.75(11) no . . . .
P1 Ru1 C25 C24 106.92(13) no . . . .
P1 Ru1 C25 C26 -121.59(12) no . . . .
P1 Ru1 C25 C31 -11.1(3) no . . . .
C25 Ru1 P1 C33 -172.99(10) no . . . .
C25 Ru1 P1 C34 -54.59(10) no . . . .
C25 Ru1 P1 C35 67.18(10) no . . . .
P1 Ru1 C26 C21 -165.65(9) no . . . .
P1 Ru1 C26 C25 66.00(14) no . . . .
P1 Ru1 C26 C32 -48.3(3) no . . . .
C26 Ru1 P1 C33 153.28(11) no . . . .
C26 Ru1 P1 C34 -88.32(11) no . . . .
C26 Ru1 P1 C35 33.45(12) no . . . .
C1 Ru1 C4 C3 -16.54(18) no . . . .
C1 Ru1 C4 C20 170.2(3) no . . . .
C4 Ru1 C1 C2 22.56(17) no . . . .
C4 Ru1 C1 C5 -178.8(3) no . . . .
C1 Ru1 C21 C22 -50.41(19) no . . . .
C1 Ru1 C21 C26 176.79(12) no . . . .
C1 Ru1 C21 C27 63.5(3) no . . . .
C21 Ru1 C1 C2 -59.5(2) no . . . .
C21 Ru1 C1 C5 99.1(3) no . . . .
C1 Ru1 C22 C21 134.36(16) no . . . .
C1 Ru1 C22 C23 -94.81(15) no . . . .
C1 Ru1 C22 C28 19.5(3) no . . . .
C22 Ru1 C1 C2 -86.15(19) no . . . .
C22 Ru1 C1 C5 72.5(3) no . . . .
C1 Ru1 C23 C22 84.82(15) no . . . .
C1 Ru1 C23 C24 -142.17(14) no . . . .
C1 Ru1 C23 C29 -27.3(4) no . . . .
C23 Ru1 C1 C2 -122.43(19) no . . . .
C23 Ru1 C1 C5 36.2(3) no . . . .
C1 Ru1 C24 C23 43.95(18) no . . . .
C1 Ru1 C24 C25 176.17(12) no . . . .
C1 Ru1 C24 C30 -70.4(4) no . . . .
C24 Ru1 C1 C2 -145.89(17) no . . . .
C24 Ru1 C1 C5 12.7(3) no . . . .
C1 Ru1 C25 C24 -7.8(4) no . . . .
C1 Ru1 C25 C26 123.7(3) no . . . .
C1 Ru1 C25 C31 -125.8(3) no . . . .
C25 Ru1 C1 C2 -140.7(3) no . . . .
C25 Ru1 C1 C5 17.9(5) no . . . .
C1 Ru1 C26 C21 -5.9(3) no . . . .
C1 Ru1 C26 C25 -134.2(2) no . . . .
C1 Ru1 C26 C32 111.5(3) no . . . .
C26 Ru1 C1 C2 -55.6(3) no . . . .
C26 Ru1 C1 C5 103.0(3) no . . . .
C4 Ru1 C21 C22 -124.76(17) no . . . .
C4 Ru1 C21 C26 102.44(15) no . . . .
C4 Ru1 C21 C27 -10.8(3) no . . . .
C21 Ru1 C4 C3 96.7(2) no . . . .
C21 Ru1 C4 C20 -76.6(3) no . . . .
C4 Ru1 C22 C21 59.47(18) no . . . .
C4 Ru1 C22 C23 -169.71(14) no . . . .
C4 Ru1 C22 C28 -55.4(3) no . . . .
C22 Ru1 C4 C3 66.6(2) no . . . .
C22 Ru1 C4 C20 -106.6(3) no . . . .
C4 Ru1 C23 C22 16.5(3) no . . . .
C4 Ru1 C23 C24 149.50(16) no . . . .
C4 Ru1 C23 C29 -95.7(4) no . . . .
C23 Ru1 C4 C3 56.5(3) no . . . .
C23 Ru1 C4 C20 -116.8(3) no . . . .
C4 Ru1 C25 C24 -166.88(13) no . . . .
C4 Ru1 C25 C26 -35.4(2) no . . . .
C4 Ru1 C25 C31 75.1(4) no . . . .
C25 Ru1 C4 C3 154.24(17) no . . . .
C25 Ru1 C4 C20 -19.0(3) no . . . .
C4 Ru1 C26 C21 -78.86(15) no . . . .
C4 Ru1 C26 C25 152.79(15) no . . . .
C4 Ru1 C26 C32 38.5(3) no . . . .
C26 Ru1 C4 C3 133.6(2) no . . . .
C26 Ru1 C4 C20 -39.7(3) no . . . .
C21 Ru1 C22 C21 -0.00(18) no . . . .
C21 Ru1 C22 C23 130.8(3) no . . . .
C21 Ru1 C22 C28 -114.8(4) no . . . .
C22 Ru1 C21 C22 -0.00(17) no . . . .
C22 Ru1 C21 C26 -132.8(3) no . . . .
C22 Ru1 C21 C27 113.9(4) no . . . .
C21 Ru1 C23 C22 -29.15(14) no . . . .
C21 Ru1 C23 C24 103.87(18) no . . . .
C21 Ru1 C23 C29 -141.3(4) no . . . .
C23 Ru1 C21 C22 29.83(15) no . . . .
C23 Ru1 C21 C26 -102.97(18) no . . . .
C23 Ru1 C21 C27 143.7(4) no . . . .
C21 Ru1 C24 C23 -64.23(15) no . . . .
C21 Ru1 C24 C25 67.99(15) no . . . .
C21 Ru1 C24 C30 -178.6(4) no . . . .
C24 Ru1 C21 C22 64.69(17) no . . . .
C24 Ru1 C21 C26 -68.11(15) no . . . .
C24 Ru1 C21 C27 178.6(3) no . . . .
C21 Ru1 C25 C24 -100.00(17) no . . . .
C21 Ru1 C25 C26 31.50(13) no . . . .
C21 Ru1 C25 C31 141.9(3) no . . . .
C25 Ru1 C21 C22 101.53(18) no . . . .
C25 Ru1 C21 C26 -31.27(13) no . . . .
C25 Ru1 C21 C27 -144.6(3) no . . . .
C21 Ru1 C26 C21 0.00(15) no . . . .
C21 Ru1 C26 C25 -128.3(3) no . . . .
C21 Ru1 C26 C32 117.3(4) no . . . .
C26 Ru1 C21 C22 132.8(3) no . . . .
C26 Ru1 C21 C26 -0.00(15) no . . . .
C26 Ru1 C21 C27 -113.3(4) no . . . .
C22 Ru1 C23 C22 -0.00(16) no . . . .
C22 Ru1 C23 C24 133.0(3) no . . . .
C22 Ru1 C23 C29 -112.2(5) no . . . .
C23 Ru1 C22 C21 -130.8(3) no . . . .
C23 Ru1 C22 C23 -0.00(15) no . . . .
C23 Ru1 C22 C28 114.3(4) no . . . .
C22 Ru1 C24 C23 -28.70(13) no . . . .
C22 Ru1 C24 C25 103.52(17) no . . . .
C22 Ru1 C24 C30 -143.0(4) no . . . .
C24 Ru1 C22 C21 -103.20(18) no . . . .
C24 Ru1 C22 C23 27.62(14) no . . . .
C24 Ru1 C22 C28 142.0(3) no . . . .
C22 Ru1 C25 C24 -64.28(15) no . . . .
C22 Ru1 C25 C26 67.21(14) no . . . .
C22 Ru1 C25 C31 177.7(3) no . . . .
C25 Ru1 C22 C21 -67.00(16) no . . . .
C25 Ru1 C22 C23 63.83(15) no . . . .
C25 Ru1 C22 C28 178.2(3) no . . . .
C22 Ru1 C26 C21 27.78(13) no . . . .
C22 Ru1 C26 C25 -100.57(17) no . . . .
C22 Ru1 C26 C32 145.1(4) no . . . .
C26 Ru1 C22 C21 -29.32(15) no . . . .
C26 Ru1 C22 C23 101.51(18) no . . . .
C26 Ru1 C22 C28 -144.2(3) no . . . .
C23 Ru1 C24 C23 0.00(14) no . . . .
C23 Ru1 C24 C25 132.2(3) no . . . .
C23 Ru1 C24 C30 -114.3(4) no . . . .
C24 Ru1 C23 C22 -133.0(3) no . . . .
C24 Ru1 C23 C24 0.00(15) no . . . .
C24 Ru1 C23 C29 114.8(4) no . . . .
C23 Ru1 C25 C24 -28.08(13) no . . . .
C23 Ru1 C25 C26 103.42(17) no . . . .
C23 Ru1 C25 C31 -146.1(3) no . . . .
C25 Ru1 C23 C22 -103.89(17) no . . . .
C25 Ru1 C23 C24 29.12(13) no . . . .
C25 Ru1 C23 C29 143.9(4) no . . . .
C23 Ru1 C26 C21 64.36(15) no . . . .
C23 Ru1 C26 C25 -63.99(15) no . . . .
C23 Ru1 C26 C32 -178.3(4) no . . . .
C26 Ru1 C23 C22 -66.70(15) no . . . .
C26 Ru1 C23 C24 66.31(15) no . . . .
C26 Ru1 C23 C29 -178.9(4) no . . . .
C24 Ru1 C25 C24 -0.00(16) no . . . .
C24 Ru1 C25 C26 131.5(3) no . . . .
C24 Ru1 C25 C31 -118.1(4) no . . . .
C25 Ru1 C24 C23 -132.2(3) no . . . .
C25 Ru1 C24 C25 -0.00(16) no . . . .
C25 Ru1 C24 C30 113.5(4) no . . . .
C24 Ru1 C26 C21 99.34(17) no . . . .
C24 Ru1 C26 C25 -29.01(14) no . . . .
C24 Ru1 C26 C32 -143.3(4) no . . . .
C26 Ru1 C24 C23 -102.47(17) no . . . .
C26 Ru1 C24 C25 29.75(14) no . . . .
C26 Ru1 C24 C30 143.2(4) no . . . .
C25 Ru1 C26 C21 128.3(3) no . . . .
C25 Ru1 C26 C25 -0.00(14) no . . . .
C25 Ru1 C26 C32 -114.3(4) no . . . .
C26 Ru1 C25 C24 -131.5(3) no . . . .
C26 Ru1 C25 C26 0.00(15) no . . . .
C26 Ru1 C25 C31 110.4(4) no . . . .
F26 F1 C42 F2 -132.6(9) no . . . .
F26 F1 C42 F3 -17.0(9) no . . . .
F26 F1 C42 F25 -30.9(10) no . . . .
F26 F1 C42 F26 -0.0(9) no . . . .
F26 F1 C42 C38 106.1(9) no . . . .
C42 F1 F26 F3 16.2(8) no . . . .
C42 F1 F26 C42 0.00(17) no . . . .
F25 F3 F26 F1 14(2) no . . . .
F25 F3 F26 C42 34.6(13) no . . . .
F26 F3 F25 C42 -26.1(10) no . . . .
F25 F3 C42 F1 -149.2(8) no . . . .
F25 F3 C42 F2 -40.4(8) no . . . .
F25 F3 C42 F25 0.0(6) no . . . .
F25 F3 C42 F26 -156.9(8) no . . . .
F25 F3 C42 C38 88.3(8) no . . . .
C42 F3 F25 C42 0.00(16) no . . . .
F26 F3 C42 F1 7.8(4) no . . . .
F26 F3 C42 F2 116.5(5) no . . . .
F26 F3 C42 F25 156.9(6) no . . . .
F26 F3 C42 F26 0.0(4) no . . . .
F26 F3 C42 C38 -114.8(6) no . . . .
C42 F3 F26 F1 -20.9(11) no . . . .
C42 F3 F26 C42 0.0(2) no . . . .
F27 F21 C66 F19 35.0(10) no . . . .
F27 F21 C66 F20 146.7(9) no . . . .
F27 F21 C66 F27 0.0(8) no . . . .
F27 F21 C66 C62 -93.6(9) no . . . .
C66 F21 F27 C66 0.0(2) no . . . .
F3 F25 C42 F1 36.7(9) no . . . .
F3 F25 C42 F2 142.7(8) no . . . .
F3 F25 C42 F3 0.0(5) no . . . .
F3 F25 C42 F26 23.0(8) no . . . .
F3 F25 C42 C38 -100.9(8) no . . . .
F1 F26 C42 F1 -0.0(3) no . . . .
F1 F26 C42 F2 55.2(10) no . . . .
F1 F26 C42 F3 163.3(9) no . . . .
F1 F26 C42 F25 154.4(8) no . . . .
F1 F26 C42 C38 -86.4(9) no . . . .
F3 F26 C42 F1 -163.3(9) no . . . .
F3 F26 C42 F2 -108.1(5) no . . . .
F3 F26 C42 F3 0.00(18) no . . . .
F3 F26 C42 F25 -8.9(3) no . . . .
F3 F26 C42 C38 110.4(4) no . . . .
F21 F27 C66 F19 -148.2(9) no . . . .
F21 F27 C66 F20 -38.8(10) no . . . .
F21 F27 C66 F21 0.0(5) no . . . .
F21 F27 C66 C62 96.6(9) no . . . .
Ru1 C1 C2 C3 -25.2(3) no . . . .
Ru1 C1 C2 C11 156.3(2) no . . . .
Ru1 C1 C5 C6 61.4(4) no . . . .
Ru1 C1 C5 C10 -119.6(3) no . . . .
C2 C1 C5 C6 -145.8(4) no . . . .
C2 C1 C5 C10 33.2(5) no . . . .
C5 C1 C2 C3 178.8(3) no . . . .
C5 C1 C2 C11 0.4(5) no . . . .
C1 C2 C3 C4 14.1(4) no . . . .
C1 C2 C3 C17 -162.8(3) no . . . .
C1 C2 C11 C12 -123.3(4) no . . . .
C1 C2 C11 C16 57.9(5) no . . . .
C3 C2 C11 C12 58.2(4) no . . . .
C3 C2 C11 C16 -120.6(3) no . . . .
C11 C2 C3 C4 -167.3(3) no . . . .
C11 C2 C3 C17 15.7(5) no . . . .
C2 C3 C4 Ru1 9.1(4) no . . . .
C2 C3 C4 C20 -176.8(3) no . . . .
C2 C3 C17 C18 176.4(3) no . . . .
C4 C3 C17 C18 -0.4(5) no . . . .
C17 C3 C4 Ru1 -173.9(3) no . . . .
C17 C3 C4 C20 0.1(5) no . . . .
Ru1 C4 C20 C19 173.75(19) no . . . .
C3 C4 C20 C19 0.5(5) no . . . .
C1 C5 C6 C7 176.8(3) no . . . .
C1 C5 C10 C9 -177.8(3) no . . . .
C6 C5 C10 C9 1.2(5) no . . . .
C10 C5 C6 C7 -2.2(5) no . . . .
C5 C6 C7 C8 1.7(6) no . . . .
C6 C7 C8 C9 -0.2(6) no . . . .
C7 C8 C9 C10 -0.8(6) no . . . .
C8 C9 C10 C5 0.3(6) no . . . .
C2 C11 C12 C13 -178.5(3) no . . . .
C2 C11 C16 C15 178.2(3) no . . . .
C12 C11 C16 C15 -0.7(5) no . . . .
C16 C11 C12 C13 0.3(5) no . . . .
C11 C12 C13 C14 -0.3(6) no . . . .
C12 C13 C14 C15 0.7(7) no . . . .
C13 C14 C15 C16 -1.1(7) no . . . .
C14 C15 C16 C11 1.1(6) no . . . .
C3 C17 C18 C19 0.1(5) no . . . .
C17 C18 C19 C20 0.5(5) no . . . .
C18 C19 C20 C4 -0.8(5) no . . . .
Ru1 C21 C22 Ru1 -0.0 no . . . .
Ru1 C21 C22 C23 -56.7(3) no . . . .
Ru1 C21 C22 C28 126.6(3) no . . . .
Ru1 C21 C26 Ru1 0.0 no . . . .
Ru1 C21 C26 C25 58.7(3) no . . . .
Ru1 C21 C26 C32 -128.4(3) no . . . .
C22 C21 C26 Ru1 -54.7(3) no . . . .
C22 C21 C26 C25 4.0(5) no . . . .
C22 C21 C26 C32 176.9(3) no . . . .
C26 C21 C22 Ru1 52.6(3) no . . . .
C26 C21 C22 C23 -4.1(5) no . . . .
C26 C21 C22 C28 179.2(3) no . . . .
C27 C21 C22 Ru1 -124.7(4) no . . . .
C27 C21 C22 C23 178.6(3) no . . . .
C27 C21 C22 C28 1.9(5) no . . . .
C27 C21 C26 Ru1 122.5(4) no . . . .
C27 C21 C26 C25 -178.8(3) no . . . .
C27 C21 C26 C32 -5.9(5) no . . . .
Ru1 C22 C23 Ru1 -0.0 no . . . .
Ru1 C22 C23 C24 -54.1(3) no . . . .
Ru1 C22 C23 C29 131.6(3) no . . . .
C21 C22 C23 Ru1 55.5(3) no . . . .
C21 C22 C23 C24 1.5(5) no . . . .
C21 C22 C23 C29 -172.9(3) no . . . .
C28 C22 C23 Ru1 -127.7(4) no . . . .
C28 C22 C23 C24 178.2(3) no . . . .
C28 C22 C23 C29 3.9(5) no . . . .
Ru1 C23 C24 Ru1 0.0 no . . . .
Ru1 C23 C24 C25 -51.8(3) no . . . .
Ru1 C23 C24 C30 131.3(3) no . . . .
C22 C23 C24 Ru1 53.1(3) no . . . .
C22 C23 C24 C25 1.3(5) no . . . .
C22 C23 C24 C30 -175.6(3) no . . . .
C29 C23 C24 Ru1 -132.6(3) no . . . .
C29 C23 C24 C25 175.6(3) no . . . .
C29 C23 C24 C30 -1.3(5) no . . . .
Ru1 C24 C25 Ru1 0.0 no . . . .
Ru1 C24 C25 C26 -55.3(3) no . . . .
Ru1 C24 C25 C31 133.0(3) no . . . .
C23 C24 C25 Ru1 53.9(3) no . . . .
C23 C24 C25 C26 -1.4(5) no . . . .
C23 C24 C25 C31 -173.1(3) no . . . .
C30 C24 C25 Ru1 -129.3(3) no . . . .
C30 C24 C25 C26 175.4(3) no . . . .
C30 C24 C25 C31 3.7(5) no . . . .
Ru1 C25 C26 Ru1 -0.0 no . . . .
Ru1 C25 C26 C21 -59.1(3) no . . . .
Ru1 C25 C26 C32 127.9(3) no . . . .
C24 C25 C26 Ru1 57.9(3) no . . . .
C24 C25 C26 C21 -1.2(5) no . . . .
C24 C25 C26 C32 -174.2(3) no . . . .
C31 C25 C26 Ru1 -130.3(3) no . . . .
C31 C25 C26 C21 170.6(3) no . . . .
C31 C25 C26 C32 -2.4(5) no . . . .
C37 C36 C41 C40 -1.6(4) no . . . .
C41 C36 C37 C38 0.8(4) no . . . .
C37 C36 B1 C44 -86.2(3) no . . . .
C37 C36 B1 C52 152.9(3) no . . . .
C37 C36 B1 C60 38.4(4) no . . . .
B1 C36 C37 C38 177.4(3) no . . . .
C41 C36 B1 C44 90.2(4) no . . . .
C41 C36 B1 C52 -30.8(4) no . . . .
C41 C36 B1 C60 -145.3(3) no . . . .
B1 C36 C41 C40 -178.1(3) no . . . .
C36 C37 C38 C39 0.2(5) no . . . .
C36 C37 C38 C42 -178.0(3) no . . . .
C37 C38 C39 C40 -0.7(5) no . . . .
C37 C38 C42 F1 -31.6(5) no . . . .
C37 C38 C42 F2 -145.7(3) no . . . .
C37 C38 C42 F3 86.7(4) no . . . .
C37 C38 C42 F25 111.2(4) no . . . .
C37 C38 C42 F26 -2.2(5) no . . . .
C39 C38 C42 F1 150.1(3) no . . . .
C39 C38 C42 F2 35.9(4) no . . . .
C39 C38 C42 F3 -91.6(4) no . . . .
C39 C38 C42 F25 -67.1(4) no . . . .
C39 C38 C42 F26 179.5(3) no . . . .
C42 C38 C39 C40 177.6(3) no . . . .
C38 C39 C40 C41 -0.0(5) no . . . .
C38 C39 C40 C43 -177.7(3) no . . . .
C39 C40 C41 C36 1.2(5) no . . . .
C39 C40 C43 F4 -25.7(4) no . . . .
C39 C40 C43 F5 -146.3(3) no . . . .
C39 C40 C43 F6 94.4(4) no . . . .
C41 C40 C43 F4 156.6(3) no . . . .
C41 C40 C43 F5 35.9(4) no . . . .
C41 C40 C43 F6 -83.4(4) no . . . .
C43 C40 C41 C36 178.9(3) no . . . .
C45 C44 C49 C48 1.3(5) no . . . .
C49 C44 C45 C46 -1.7(5) no . . . .
C45 C44 B1 C36 96.0(4) no . . . .
C45 C44 B1 C52 -143.1(3) no . . . .
C45 C44 B1 C60 -27.9(5) no . . . .
B1 C44 C45 C46 -178.6(3) no . . . .
C49 C44 B1 C36 -80.9(4) no . . . .
C49 C44 B1 C52 40.0(4) no . . . .
C49 C44 B1 C60 155.3(3) no . . . .
B1 C44 C49 C48 178.4(3) no . . . .
C44 C45 C46 C47 0.8(5) no . . . .
C44 C45 C46 C50 179.9(3) no . . . .
C45 C46 C47 C48 0.5(5) no . . . .
C45 C46 C50 F7 162.7(3) no . . . .
C45 C46 C50 F8 -77.5(4) no . . . .
C45 C46 C50 F9 41.7(5) no . . . .
C47 C46 C50 F7 -18.2(5) no . . . .
C47 C46 C50 F8 101.7(4) no . . . .
C47 C46 C50 F9 -139.2(3) no . . . .
C50 C46 C47 C48 -178.6(3) no . . . .
C46 C47 C48 C49 -0.9(5) no . . . .
C46 C47 C48 C51 -177.6(3) no . . . .
C47 C48 C49 C44 -0.1(5) no . . . .
C47 C48 C51 F10 -7.6(5) no . . . .
C47 C48 C51 F11 -129.2(4) no . . . .
C47 C48 C51 F12 114.7(4) no . . . .
C49 C48 C51 F10 175.7(3) no . . . .
C49 C48 C51 F11 54.0(5) no . . . .
C49 C48 C51 F12 -62.1(5) no . . . .
C51 C48 C49 C44 176.7(3) no . . . .
C53 C52 C57 C56 -1.5(5) no . . . .
C57 C52 C53 C54 1.1(5) no . . . .
C53 C52 B1 C36 149.8(3) no . . . .
C53 C52 B1 C44 32.1(5) no . . . .
C53 C52 B1 C60 -89.8(4) no . . . .
B1 C52 C53 C54 171.7(3) no . . . .
C57 C52 B1 C36 -40.2(4) no . . . .
C57 C52 B1 C44 -157.9(3) no . . . .
C57 C52 B1 C60 80.2(4) no . . . .
B1 C52 C57 C56 -172.2(3) no . . . .
C52 C53 C54 C55 -0.5(5) no . . . .
C52 C53 C54 C58 -178.2(3) no . . . .
C53 C54 C55 C56 0.2(5) no . . . .
C53 C54 C58 F13 -51.4(5) no . . . .
C53 C54 C58 F14 66.4(4) no . . . .
C53 C54 C58 F15 -173.6(3) no . . . .
C55 C54 C58 F13 130.8(4) no . . . .
C55 C54 C58 F14 -111.3(4) no . . . .
C55 C54 C58 F15 8.7(5) no . . . .
C58 C54 C55 C56 177.8(3) no . . . .
C54 C55 C56 C57 -0.5(5) no . . . .
C54 C55 C56 C59 -179.0(3) no . . . .
C55 C56 C57 C52 1.3(5) no . . . .
C55 C56 C59 F16 113.0(4) no . . . .
C55 C56 C59 F17 -127.3(4) no . . . .
C55 C56 C59 F18 -6.8(5) no . . . .
C57 C56 C59 F16 -65.5(4) no . . . .
C57 C56 C59 F17 54.2(4) no . . . .
C57 C56 C59 F18 174.7(3) no . . . .
C59 C56 C57 C52 179.8(3) no . . . .
C61 C60 C65 C64 1.0(5) no . . . .
C65 C60 C61 C62 -2.3(5) no . . . .
C61 C60 B1 C36 -156.0(3) no . . . .
C61 C60 B1 C44 -35.8(5) no . . . .
C61 C60 B1 C52 84.5(4) no . . . .
B1 C60 C61 C62 -173.1(3) no . . . .
C65 C60 B1 C36 33.9(5) no . . . .
C65 C60 B1 C44 154.0(3) no . . . .
C65 C60 B1 C52 -85.7(4) no . . . .
B1 C60 C65 C64 171.7(3) no . . . .
C60 C61 C62 C63 2.2(6) no . . . .
C60 C61 C62 C66 179.9(3) no . . . .
C61 C62 C63 C64 -0.7(6) no . . . .
C61 C62 C66 F19 -93.5(4) no . . . .
C61 C62 C66 F20 147.5(4) no . . . .
C61 C62 C66 F21 35.6(5) no . . . .
C61 C62 C66 F27 8.7(5) no . . . .
C63 C62 C66 F19 84.2(5) no . . . .
C63 C62 C66 F20 -34.9(5) no . . . .
C63 C62 C66 F21 -146.7(4) no . . . .
C63 C62 C66 F27 -173.6(3) no . . . .
C66 C62 C63 C64 -178.4(3) no . . . .
C62 C63 C64 C65 -0.6(5) no . . . .
C62 C63 C64 C67 176.4(3) no . . . .
C63 C64 C65 C60 0.4(5) no . . . .
C63 C64 C67 F22 36.5(5) no . . . .
C63 C64 C67 F23 158.5(4) no . . . .
C63 C64 C67 F24 -81.5(5) no . . . .
C65 C64 C67 F22 -146.4(4) no . . . .
C65 C64 C67 F23 -24.5(5) no . . . .
C65 C64 C67 F24 95.5(4) no . . . .
C67 C64 C65 C60 -176.6(3) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
P1 C20 3.499(4) no . .
F1 C37 2.784(5) no . .
F1 C39 3.587(5) no . .
F2 C37 3.577(5) no . .
F2 C39 2.801(4) no . .
F3 C37 3.166(6) no . .
F3 C39 3.189(6) no . .
F4 C39 2.769(5) no . .
F5 C39 3.569(4) no . .
F5 C41 2.791(5) no . .
F6 C39 3.234(4) no . .
F6 C41 3.134(5) no . .
F7 C47 2.732(5) no . .
F8 C45 3.076(5) no . .
F8 C47 3.280(5) no . .
F9 C45 2.807(5) no . .
F9 C47 3.521(5) no . .
F10 C47 2.738(4) no . .
F11 C47 3.492(5) no . .
F11 C49 2.904(4) no . .
F12 C47 3.396(5) no . .
F12 C49 2.955(4) no . .
F13 C53 2.864(4) no . .
F13 C55 3.501(4) no . .
F14 C53 2.972(4) no . .
F14 C55 3.373(5) no . .
F15 C55 2.746(4) no . .
F16 C55 3.402(4) no . .
F16 C57 2.971(4) no . .
F17 C55 3.490(5) no . .
F17 C57 2.878(5) no . .
F18 C55 2.754(5) no . .
F19 C61 3.231(5) no . .
F19 C63 3.139(5) no . .
F20 C61 3.583(5) no . .
F20 C63 2.788(6) no . .
F21 C61 2.796(6) no . .
F21 C63 3.545(6) no . .
F22 C63 2.783(5) no . .
F22 C65 3.575(4) no . .
F23 C63 3.596(5) no . .
F23 C65 2.775(4) no . .
F24 C63 3.108(5) no . .
F24 C65 3.246(4) no . .
F25 C37 3.411(7) no . .
F25 C39 3.019(8) no . .
F26 C37 2.788(9) no . .
F27 C61 2.733(9) no . .
C1 C12 3.584(6) no . .
C1 C16 3.155(6) no . .
C1 C28 3.483(6) no . .
C1 C33 3.528(5) no . .
C2 C10 3.179(5) no . .
C3 C12 3.149(6) no . .
C3 C19 2.780(5) no . .
C4 C18 2.831(6) no . .
C4 C27 3.258(5) no . .
C4 C33 3.447(5) no . .
C4 C35 3.559(6) no . .
C5 C8 2.802(5) no . .
C5 C11 3.117(5) no . .
C5 C16 3.315(6) no . .
C5 C23 3.557(5) no . .
C5 C29 3.335(6) no . .
C6 C9 2.763(6) no . .
C6 C29 3.563(6) no . .
C7 C10 2.780(6) no . .
C10 C11 3.132(5) no . .
C10 C16 3.190(6) no . .
C10 C29 3.539(6) no . .
C11 C14 2.792(6) no . .
C11 C17 2.948(5) no . .
C12 C15 2.759(6) no . .
C12 C17 3.210(6) no . .
C13 C16 2.780(6) no . .
C17 C20 2.765(6) no . .
C20 C26 3.485(5) no . .
C20 C27 3.569(6) no . .
C20 C32 3.372(6) no . .
C20 C35 3.339(6) no . .
C27 C28 2.905(6) no . .
C27 C32 3.010(7) no . .
C28 C29 2.932(7) no . .
C29 C30 2.903(7) no . .
C30 C31 2.988(6) no . .
C30 C34 3.563(6) no . .
C31 C32 2.888(6) no . .
C36 C39 2.854(5) no . .
C36 C45 3.519(5) no . .
C36 C49 3.345(5) no . .
C36 C57 3.130(5) no . .
C36 C65 3.120(5) no . .
C37 C40 2.751(5) no . .
C37 C44 3.409(5) no . .
C37 C60 3.142(5) no . .
C37 C65 3.206(5) no . .
C38 C41 2.752(5) no . .
C41 C44 3.466(5) no . .
C41 C52 3.102(5) no . .
C41 C57 3.175(5) no . .
C44 C47 2.860(5) no . .
C44 C53 3.100(5) no . .
C44 C61 3.152(5) no . .
C45 C48 2.757(5) no . .
C45 C60 3.144(5) no . .
C45 C61 3.159(5) no . .
C46 C49 2.750(5) no . .
C49 C52 3.117(5) no . .
C49 C53 3.171(5) no . .
C52 C55 2.860(5) no . .
C52 C61 3.326(6) no . .
C52 C65 3.345(5) no . .
C53 C56 2.753(5) no . .
C53 C60 3.390(5) no . .
C54 C57 2.743(5) no . .
C57 C60 3.285(5) no . .
C57 C65 3.531(5) no . .
C60 C63 2.842(5) no . .
C61 C64 2.737(5) no . .
C62 C65 2.753(6) no . .
F1 F22 3.016(4) no . 2_656
F1 C12 3.392(5) no . 1_655
F1 C13 3.338(5) no . 1_655
F2 F14 3.518(4) no . 1_565
F2 C12 3.568(4) no . 1_655
F2 C27 3.299(6) no . 1_655
F3 C6 3.134(6) no . .
F3 C7 3.267(6) no . .
F3 C34 3.552(6) no . .
F4 F5 3.210(4) no . 2_657
F4 F15 2.949(3) no . 1_565
F4 F17 3.438(4) no . 2_657
F5 F4 3.210(4) no . 2_657
F5 F5 3.192(4) no . 2_657
F5 C19 3.529(5) no . 2_557
F5 C20 3.401(4) no . 2_557
F5 C32 3.462(5) no . 2_557
F6 F10 3.155(4) no . 2_557
F6 F11 3.163(4) no . 2_557
F6 C35 3.408(5) no . 2_557
F7 F23 3.256(4) no . 1_455
F7 F24 2.988(5) no . 1_455
F7 C17 3.303(5) no . .
F7 C18 3.578(5) no . .
F8 C2 3.253(4) no . .
F8 C3 3.399(4) no . .
F8 C11 3.447(4) no . .
F8 C16 3.119(5) no . .
F8 C17 3.417(4) no . .
F9 C9 3.043(5) no . 2_556
F10 F6 3.155(4) no . 2_557
F10 F13 3.523(4) no . 2_547
F10 F15 3.206(4) no . 2_547
F10 F16 3.375(4) no . 1_455
F10 F17 2.956(4) no . 1_455
F11 F6 3.163(4) no . 2_557
F11 C34 3.531(5) no . 2_557
F11 C35 3.266(6) no . 2_557
F12 F13 2.858(4) no . 2_547
F12 C31 3.434(6) no . 2_557
F13 F10 3.523(4) no . 2_547
F13 F12 2.858(4) no . 2_547
F14 F2 3.518(4) no . 1_545
F14 F25 3.286(8) no . 1_545
F14 C27 3.518(4) no . 1_645
F14 C34 3.219(5) no . 1_545
F14 C39 3.546(4) no . 1_545
F15 F4 2.949(3) no . 1_545
F15 F10 3.206(4) no . 2_547
F15 F17 2.950(4) no . 2_647
F15 F18 3.069(4) no . 2_647
F15 C27 3.494(5) no . 1_645
F16 F10 3.375(4) no . 1_655
F16 C23 3.474(5) no . 1_645
F16 C24 3.524(4) no . 1_645
F17 F4 3.438(4) no . 2_657
F17 F10 2.956(4) no . 1_655
F17 F15 2.950(4) no . 2_647
F18 F15 3.069(4) no . 2_647
F18 C25 3.280(4) no . 1_645
F18 C26 3.211(4) no . 1_645
F18 C31 3.506(5) no . 1_645
F18 C32 3.431(5) no . 1_645
F18 C55 3.284(4) no . 2_647
F19 F20 3.566(4) no . 2_646
F19 F22 3.495(4) no . 2_646
F19 C63 3.591(5) no . 2_646
F20 F19 3.566(4) no . 2_646
F20 C28 3.564(6) no . 2_556
F20 C63 3.574(5) no . 2_646
F21 C7 3.344(6) no . 1_545
F21 C8 3.387(6) no . 1_545
F21 C9 3.236(6) no . 2_556
F21 C10 3.471(6) no . 2_556
F22 F1 3.016(4) no . 2_656
F22 F19 3.495(4) no . 2_646
F22 F26 2.860(9) no . 2_656
F22 C7 3.361(5) no . 2_656
F23 F7 3.256(4) no . 1_655
F23 C13 3.547(6) no . 1_655
F23 C17 3.389(5) no . 1_655
F24 F7 2.988(5) no . 1_655
F24 C8 3.347(5) no . 2_656
F25 F14 3.286(8) no . 1_565
F25 C6 3.320(8) no . .
F25 C7 3.451(8) no . .
F25 C34 3.275(7) no . .
F26 F22 2.860(9) no . 2_656
F27 C7 3.039(9) no . 1_545
F27 C8 3.320(9) no . 1_545
C2 F8 3.253(4) no . .
C3 F8 3.399(4) no . .
C6 F3 3.134(6) no . .
C6 F25 3.320(8) no . .
C7 F3 3.267(6) no . .
C7 F21 3.344(6) no . 1_565
C7 F22 3.361(5) no . 2_656
C7 F25 3.451(8) no . .
C7 F27 3.039(9) no . 1_565
C8 F21 3.387(6) no . 1_565
C8 F24 3.347(5) no . 2_656
C8 F27 3.320(9) no . 1_565
C8 C9 3.453(6) no . 2_566
C9 F9 3.043(5) no . 2_556
C9 F21 3.236(6) no . 2_556
C9 C8 3.453(6) no . 2_566
C9 C9 3.587(6) no . 2_566
C10 F21 3.471(6) no . 2_556
C11 F8 3.447(4) no . .
C12 F1 3.392(5) no . 1_455
C12 F2 3.568(4) no . 1_455
C13 F1 3.338(5) no . 1_455
C13 F23 3.547(6) no . 1_455
C13 C63 3.586(6) no . 2_556
C16 F8 3.119(5) no . .
C17 F7 3.303(5) no . .
C17 F8 3.417(4) no . .
C17 F23 3.389(5) no . 1_455
C18 F7 3.578(5) no . .
C19 F5 3.529(5) no . 2_557
C20 F5 3.401(4) no . 2_557
C23 F16 3.474(5) no . 1_465
C24 F16 3.524(4) no . 1_465
C25 F18 3.280(4) no . 1_465
C26 F18 3.211(4) no . 1_465
C27 F2 3.299(6) no . 1_455
C27 F14 3.518(4) no . 1_465
C27 F15 3.494(5) no . 1_465
C27 C55 3.521(6) no . 1_465
C28 F20 3.564(6) no . 2_556
C31 F12 3.434(6) no . 2_557
C31 F18 3.506(5) no . 1_465
C32 F5 3.462(5) no . 2_557
C32 F18 3.431(5) no . 1_465
C33 C45 3.594(5) no . .
C33 C46 3.556(5) no . .
C34 F3 3.552(6) no . .
C34 F11 3.531(5) no . 2_557
C34 F14 3.219(5) no . 1_565
C34 F25 3.275(7) no . .
C35 F6 3.408(5) no . 2_557
C35 F11 3.266(6) no . 2_557
C39 F14 3.546(4) no . 1_565
C45 C33 3.594(5) no . .
C46 C33 3.556(5) no . .
C55 F18 3.284(4) no . 2_647
C55 C27 3.521(6) no . 1_645
C63 F19 3.591(5) no . 2_646
C63 F20 3.574(5) no . 2_646
C63 C13 3.586(6) no . 2_556
Ru1 H6 3.5252 no . .
Ru1 H20 3.2157 no . .
Ru1 H27A 3.4222 no . .
Ru1 H28A 3.5829 no . .
Ru1 H31B 3.5703 no . .
Ru1 H32A 3.5344 no . .
Ru1 H34A 3.5733 no . .
P1 H6 3.4738 no . .
P1 H20 3.3677 no . .
P1 H31B 3.1909 no . .
F1 H37 2.4849 no . .
F2 H39 2.5499 no . .
F3 H37 3.1912 no . .
F3 H39 3.2657 no . .
F4 H39 2.4870 no . .
F5 H41 2.5084 no . .
F6 H39 3.3324 no . .
F6 H41 3.1266 no . .
F7 H47 2.4324 no . .
F8 H45 3.0330 no . .
F8 H47 3.4147 no . .
F9 H45 2.5609 no . .
F10 H47 2.4371 no . .
F11 H49 2.7039 no . .
F12 H47 3.5999 no . .
F12 H49 2.8378 no . .
F13 H53 2.6472 no . .
F14 H53 2.8622 no . .
F14 H55 3.5641 no . .
F15 H55 2.4426 no . .
F16 H55 3.5997 no . .
F16 H57 2.8420 no . .
F17 H57 2.6815 no . .
F18 H55 2.4543 no . .
F19 H61 3.2802 no . .
F19 H63 3.1698 no . .
F20 H63 2.5297 no . .
F21 H61 2.5272 no . .
F22 H63 2.5221 no . .
F23 H65 2.4636 no . .
F24 H63 3.1331 no . .
F24 H65 3.3309 no . .
F25 H37 3.5646 no . .
F25 H39 2.9508 no . .
F26 H37 2.4441 no . .
F27 H61 2.3424 no . .
C1 H6 2.6012 no . .
C1 H10 2.7214 no . .
C1 H16 3.0095 no . .
C1 H28A 2.9682 no . .
C1 H29A 3.5735 no . .
C1 H33A 3.4907 no . .
C1 H33C 3.0946 no . .
C2 H10 2.9847 no . .
C2 H12 2.6526 no . .
C2 H16 2.6700 no . .
C2 H17 2.6724 no . .
C2 H27A 3.5788 no . .
C2 H28A 3.2389 no . .
C2 H28C 3.4829 no . .
C3 H1 2.53(4) no . .
C3 H12 2.9901 no . .
C3 H18 3.2639 no . .
C3 H20 3.2667 no . .
C3 H27A 2.9922 no . .
C3 H33A 3.2863 no . .
C4 H17 3.3054 no . .
C4 H19 3.3001 no . .
C4 H27A 2.8342 no . .
C4 H27C 3.4122 no . .
C4 H32B 3.3987 no . .
C4 H33A 3.0102 no . .
C4 H35A 3.2000 no . .
C5 H7 3.2772 no . .
C5 H9 3.2765 no . .
C5 H16 3.0331 no . .
C5 H28A 3.0367 no . .
C5 H29A 2.8604 no . .
C5 H29C 3.2098 no . .
C6 H1 2.59(4) no . .
C6 H8 3.2554 no . .
C6 H10 3.2637 no . .
C6 H29A 2.7705 no . .
C6 H33C 3.2291 no . .
C7 H9 3.2530 no . .
C7 H29A 3.0988 no . .
C8 H6 3.2494 no . .
C8 H10 3.2694 no . .
C8 H29A 3.4346 no . .
C9 H7 3.2560 no . .
C9 H29A 3.4724 no . .
C9 H29C 3.4989 no . .
C10 H1 3.46(5) no . .
C10 H6 3.2615 no . .
C10 H8 3.2707 no . .
C10 H16 3.1515 no . .
C10 H28A 2.7901 no . .
C10 H29A 3.2082 no . .
C10 H29C 3.0541 no . .
C11 H1 3.40(5) no . .
C11 H10 2.6470 no . .
C11 H13 3.2712 no . .
C11 H15 3.2620 no . .
C11 H17 2.5998 no . .
C11 H28A 3.5835 no . .
C12 H10 3.1524 no . .
C12 H14 3.2611 no . .
C12 H16 3.2596 no . .
C12 H17 2.7271 no . .
C12 H28C 3.4872 no . .
C13 H15 3.2503 no . .
C13 H17 3.5902 no . .
C14 H12 3.2565 no . .
C14 H16 3.2680 no . .
C15 H10 3.5730 no . .
C15 H13 3.2529 no . .
C16 H10 2.8967 no . .
C16 H12 3.2566 no . .
C16 H14 3.2696 no . .
C16 H17 3.4017 no . .
C17 H12 3.0695 no . .
C17 H19 3.2500 no . .
C17 H27A 3.5348 no . .
C18 H20 3.2558 no . .
C19 H17 3.2481 no . .
C19 H35A 3.5489 no . .
C20 H18 3.2645 no . .
C20 H27A 3.2607 no . .
C20 H27C 3.3269 no . .
C20 H32A 3.3121 no . .
C20 H32B 2.8919 no . .
C20 H33A 3.4817 no . .
C20 H35A 2.7053 no . .
C20 H35B 3.5186 no . .
C21 H28A 3.2329 no . .
C21 H28B 3.0475 no . .
C21 H28C 2.5916 no . .
C21 H32A 3.3105 no . .
C21 H32B 2.6497 no . .
C21 H32C 3.0362 no . .
C22 H27A 2.7545 no . .
C22 H27B 2.7475 no . .
C22 H27C 3.3096 no . .
C22 H29A 3.2154 no . .
C22 H29B 3.1548 no . .
C22 H29C 2.5804 no . .
C23 H28A 2.7016 no . .
C23 H28B 2.8824 no . .
C23 H28C 3.3474 no . .
C23 H30A 2.7635 no . .
C23 H30B 2.7630 no . .
C23 H30C 3.3215 no . .
C24 H29A 2.7725 no . .
C24 H29B 2.7711 no . .
C24 H29C 3.3262 no . .
C24 H31A 2.7960 no . .
C24 H31B 2.7927 no . .
C24 H31C 3.3526 no . .
C24 H34A 3.5733 no . .
C24 H34C 3.4340 no . .
C25 H30A 3.1745 no . .
C25 H30B 3.2093 no . .
C25 H30C 2.6110 no . .
C25 H32A 2.6653 no . .
C25 H32B 3.3163 no . .
C25 H32C 2.8979 no . .
C25 H34C 3.2996 no . .
C25 H35B 3.5206 no . .
C26 H20 3.1497 no . .
C26 H27A 3.1815 no . .
C26 H27B 3.2172 no . .
C26 H27C 2.6087 no . .
C26 H31A 3.1035 no . .
C26 H31B 3.1959 no . .
C26 H31C 2.5464 no . .
C27 H28B 3.3791 no . .
C27 H28C 2.4313 no . .
C27 H32B 2.5798 no . .
C27 H32C 3.4059 no . .
C28 H10 3.3410 no . .
C28 H12 3.5290 no . .
C28 H27A 2.8472 no . .
C28 H27B 2.8085 no . .
C28 H29B 3.5499 no . .
C28 H29C 2.4051 no . .
C29 H28A 2.7005 no . .
C29 H28B 3.0095 no . .
C29 H30A 2.8183 no . .
C29 H30B 2.8335 no . .
C30 H29A 2.8216 no . .
C30 H29B 2.8350 no . .
C30 H31A 2.9427 no . .
C30 H31B 2.8902 no . .
C30 H34A 3.2090 no . .
C30 H34C 3.1529 no . .
C31 H30A 3.5895 no . .
C31 H30C 2.4898 no . .
C31 H32A 2.6006 no . .
C31 H32C 3.0378 no . .
C31 H34C 2.8861 no . .
C31 H35B 3.1040 no . .
C32 H20 2.7475 no . .
C32 H27C 2.5069 no . .
C32 H31A 3.4682 no . .
C32 H31C 2.3589 no . .
C32 H35B 3.4872 no . .
C33 H1 2.55(4) no . .
C33 H6 3.3044 no . .
C33 H34A 3.0683 no . .
C33 H34B 2.8596 no . .
C33 H35A 2.9262 no . .
C33 H35C 2.9564 no . .
C34 H6 3.4756 no . .
C34 H30B 3.2441 no . .
C34 H30C 3.2746 no . .
C34 H31B 2.8084 no . .
C34 H33B 2.8956 no . .
C34 H33C 3.0277 no . .
C34 H35B 3.1122 no . .
C34 H35C 2.8361 no . .
C35 H20 2.8463 no . .
C35 H31B 3.3709 no . .
C35 H32A 3.3915 no . .
C35 H33A 3.0014 no . .
C35 H33B 2.8823 no . .
C35 H34B 2.9371 no . .
C35 H34C 2.9916 no . .
C36 H49 3.3224 no . .
C36 H57 2.7848 no . .
C36 H65 2.7598 no . .
C37 H39 3.2742 no . .
C37 H41 3.2355 no . .
C37 H65 2.7671 no . .
C39 H37 3.2601 no . .
C39 H41 3.2568 no . .
C41 H37 3.2358 no . .
C41 H39 3.2715 no . .
C41 H49 3.3456 no . .
C41 H57 2.7713 no . .
C42 H37 2.6360 no . .
C42 H39 2.6458 no . .
C43 H39 2.6647 no . .
C43 H41 2.6176 no . .
C44 H37 3.4347 no . .
C44 H41 3.5254 no . .
C44 H53 2.7281 no . .
C44 H61 2.7944 no . .
C45 H37 3.5607 no . .
C45 H47 3.2829 no . .
C45 H49 3.2321 no . .
C45 H61 2.6948 no . .
C47 H45 3.2672 no . .
C47 H49 3.2722 no . .
C49 H41 3.4779 no . .
C49 H45 3.2323 no . .
C49 H47 3.2878 no . .
C49 H53 2.7203 no . .
C50 H45 2.6221 no . .
C50 H47 2.6665 no . .
C51 H47 2.6831 no . .
C51 H49 2.6188 no . .
C52 H41 2.7510 no . .
C52 H49 2.7911 no . .
C52 H61 3.3852 no . .
C52 H65 3.4314 no . .
C53 H49 2.8333 no . .
C53 H55 3.2786 no . .
C53 H57 3.2287 no . .
C53 H61 3.4068 no . .
C55 H53 3.2633 no . .
C55 H57 3.2641 no . .
C57 H41 2.7712 no . .
C57 H53 3.2298 no . .
C57 H55 3.2801 no . .
C57 H65 3.3490 no . .
C58 H53 2.5922 no . .
C58 H55 2.6827 no . .
C59 H55 2.7090 no . .
C59 H57 2.5895 no . .
C60 H37 2.8131 no . .
C60 H45 2.7918 no . .
C60 H53 3.4997 no . .
C60 H57 3.3198 no . .
C61 H45 2.7088 no . .
C61 H53 3.4950 no . .
C61 H63 3.2605 no . .
C61 H65 3.2353 no . .
C63 H61 3.2457 no . .
C63 H65 3.2601 no . .
C65 H37 2.8499 no . .
C65 H57 3.2584 no . .
C65 H61 3.2331 no . .
C65 H63 3.2719 no . .
C66 H61 2.6325 no . .
C66 H63 2.6420 no . .
C67 H63 2.6445 no . .
C67 H65 2.6508 no . .
B1 H37 2.7780 no . .
B1 H41 2.8091 no . .
B1 H45 2.8131 no . .
B1 H49 2.7593 no . .
B1 H53 2.7993 no . .
B1 H57 2.7791 no . .
B1 H61 2.7737 no . .
B1 H65 2.7924 no . .
H1 H6 2.3099 no . .
H1 H33A 2.6490 no . .
H1 H33B 3.5100 no . .
H1 H33C 2.2538 no . .
H1 H34A 3.4651 no . .
H6 H7 2.3253 no . .
H6 H29A 3.0941 no . .
H6 H30B 3.3800 no . .
H6 H33C 2.5027 no . .
H6 H34A 2.7389 no . .
H7 H8 2.3335 no . .
H7 H29A 3.5984 no . .
H8 H9 2.3408 no . .
H9 H10 2.3325 no . .
H10 H12 3.5361 no . .
H10 H16 3.1445 no . .
H10 H28A 2.3834 no . .
H10 H29C 3.1980 no . .
H12 H13 2.3323 no . .
H12 H17 2.7753 no . .
H12 H27A 3.2049 no . .
H12 H28A 3.3594 no . .
H12 H28C 2.8264 no . .
H13 H14 2.3415 no . .
H14 H15 2.3323 no . .
H15 H16 2.3350 no . .
H17 H18 2.3243 no . .
H18 H19 2.3376 no . .
H19 H20 2.3302 no . .
H20 H27C 3.3408 no . .
H20 H32A 2.5047 no . .
H20 H32B 2.3752 no . .
H20 H35A 2.2814 no . .
H20 H35B 2.8164 no . .
H27A H28A 3.4761 no . .
H27A H28B 3.4982 no . .
H27A H28C 2.1682 no . .
H27A H32B 3.1260 no . .
H27B H28B 3.0165 no . .
H27B H28C 2.3042 no . .
H27B H32B 3.2973 no . .
H27C H28C 3.4031 no . .
H27C H32A 3.3464 no . .
H27C H32B 1.8605 no . .
H27C H32C 2.8664 no . .
H28A H29A 3.1955 no . .
H28A H29B 3.4592 no . .
H28A H29C 2.0166 no . .
H28B H29B 3.3869 no . .
H28B H29C 2.4063 no . .
H28C H29C 3.3607 no . .
H29A H30A 2.8833 no . .
H29A H30B 2.4232 no . .
H29B H30A 2.4214 no . .
H29B H30B 2.9227 no . .
H30A H31A 3.3073 no . .
H30B H31B 3.4007 no . .
H30B H34A 2.6522 no . .
H30B H34C 3.0642 no . .
H30C H31A 2.3670 no . .
H30C H31B 2.2299 no . .
H30C H31C 3.4631 no . .
H30C H34A 3.1115 no . .
H30C H34C 2.6379 no . .
H31A H32A 3.3134 no . .
H31A H32C 3.3603 no . .
H31A H34C 3.4669 no . .
H31B H32A 3.1511 no . .
H31B H34A 3.3206 no . .
H31B H34B 3.4864 no . .
H31B H34C 1.9765 no . .
H31B H35B 2.7701 no . .
H31C H32A 1.8792 no . .
H31C H32B 3.2916 no . .
H31C H32C 2.4683 no . .
H31C H34C 3.4324 no . .
H31C H35B 2.7554 no . .
H32A H35A 3.4937 no . .
H32A H35B 2.6434 no . .
H33A H35A 2.7827 no . .
H33A H35C 3.2681 no . .
H33B H34A 3.2429 no . .
H33B H34B 2.5879 no . .
H33B H35A 3.0620 no . .
H33B H35C 2.6899 no . .
H33C H34A 2.9447 no . .
H33C H34B 3.1363 no . .
H34B H35B 3.3479 no . .
H34B H35C 2.6086 no . .
H34C H35B 2.9535 no . .
H34C H35C 3.0386 no . .
H37 H45 3.1740 no . .
H37 H65 2.6151 no . .
H41 H49 2.9129 no . .
H41 H57 2.5766 no . .
H45 H61 2.4238 no . .
H49 H53 2.5952 no . .
H53 H61 3.0209 no . .
H57 H65 2.8372 no . .
F1 H12 2.8427 no . 1_655
F1 H13 2.7375 no . 1_655
F1 H14 3.0999 no . 2_556
F2 H12 2.6555 no . 1_655
F2 H27A 2.6802 no . 1_655
F2 H27B 3.0707 no . 1_655
F2 H28C 2.9965 no . 1_655
F3 H6 2.4702 no . .
F3 H7 2.7450 no . .
F3 H33C 3.1177 no . .
F3 H34A 2.8092 no . .
F3 H34B 3.5014 no . .
F4 H19 3.4856 no . 1_655
F4 H19 3.2036 no . 2_557
F4 H27C 2.7854 no . 1_655
F4 H32B 2.9572 no . 1_655
F5 H19 2.9706 no . 1_655
F5 H19 2.9824 no . 2_557
F5 H20 2.7030 no . 2_557
F5 H32A 3.0767 no . 2_557
F5 H32B 2.9815 no . 2_557
F6 H19 3.2113 no . 2_557
F6 H20 2.9788 no . 2_557
F6 H34B 3.1657 no . .
F6 H35A 2.7380 no . 2_557
F6 H35B 3.3062 no . 2_557
F6 H35C 3.5259 no . .
F7 H17 3.0599 no . .
F7 H18 3.5451 no . .
F7 H29B 2.8752 no . 1_545
F8 H15 2.9720 no . 2_556
F8 H16 2.6444 no . .
F8 H17 3.2934 no . .
F8 H33A 2.9428 no . .
F8 H33C 3.3790 no . .
F9 H9 2.7282 no . 2_556
F9 H15 3.3664 no . 2_556
F9 H29B 3.2348 no . 1_545
F10 H19 3.5107 no . .
F11 H31B 2.9807 no . 2_557
F11 H31C 3.5598 no . 2_557
F11 H34B 3.3686 no . 2_557
F11 H34C 2.9353 no . 2_557
F11 H35A 3.1304 no . .
F11 H35B 2.8077 no . 2_557
F11 H35C 3.3022 no . .
F11 H35C 2.8917 no . 2_557
F12 H30A 3.2865 no . 1_545
F12 H30C 3.0756 no . 1_545
F12 H31A 2.9630 no . 1_545
F12 H31A 3.3668 no . 2_557
F12 H31B 2.8820 no . 2_557
F12 H31C 3.5231 no . 2_557
F12 H34C 3.4962 no . 2_557
F13 H30C 2.9457 no . 1_545
F13 H31A 2.9568 no . 2_557
F13 H31B 3.4275 no . 1_545
F13 H34C 2.9303 no . 1_545
F14 H27B 2.8493 no . 1_645
F14 H27C 3.3945 no . 1_645
F14 H34A 2.8632 no . 1_545
F14 H34B 3.1645 no . 1_545
F14 H34C 3.0904 no . 1_545
F14 H39 2.7278 no . 1_545
F15 H27B 3.2084 no . 1_645
F15 H27C 2.8748 no . 1_645
F15 H39 3.2750 no . 1_545
F16 H18 3.4674 no . 1_655
F16 H29B 3.5317 no . 1_645
F16 H47 3.0894 no . 1_655
F17 H18 3.4346 no . 1_655
F17 H19 2.9725 no . 1_655
F17 H32B 3.5033 no . 2_557
F17 H32C 3.2219 no . 2_557
F17 H55 3.5831 no . 2_647
F18 H31A 3.0943 no . 1_645
F18 H31C 3.5849 no . 1_645
F18 H32C 2.7637 no . 1_645
F18 H55 2.8531 no . 2_647
F19 H7 2.7429 no . 1_545
F19 H63 2.6466 no . 2_646
F20 H8 3.5880 no . 1_545
F20 H10 3.1418 no . 2_556
F20 H28A 3.0877 no . 2_556
F20 H28B 3.4093 no . 2_556
F20 H63 2.9073 no . 2_646
F21 H7 2.9566 no . 1_545
F21 H8 3.0388 no . 1_545
F21 H9 2.4944 no . 2_556
F21 H10 2.9810 no . 2_556
F22 H7 2.8415 no . 2_656
F22 H8 3.5261 no . 2_656
F22 H13 2.9617 no . 2_556
F23 H17 2.4859 no . 1_655
F24 H8 2.7737 no . 2_656
F24 H28B 3.3365 no . 1_645
F24 H29B 3.4927 no . 1_645
F24 H29C 3.2431 no . 1_645
F25 H6 2.6140 no . .
F25 H7 2.8898 no . .
F25 H33C 3.3440 no . .
F25 H34A 2.4969 no . .
F25 H34B 3.2369 no . .
F26 H7 3.3329 no . .
F26 H12 3.4312 no . 1_655
F26 H13 3.1825 no . 1_655
F26 H14 2.9767 no . 2_556
F27 H7 2.5895 no . 1_545
F27 H8 3.1183 no . 1_545
F27 H9 2.7762 no . 2_556
F27 H10 3.5614 no . 2_556
C8 H9 3.0234 no . 2_566
C9 H8 3.1463 no . 2_566
C9 H9 3.3759 no . 2_566
C14 H37 3.3573 no . 2_556
C14 H45 3.5165 no . 2_556
C15 H45 3.4931 no . 2_556
C18 H47 3.3998 no . .
C18 H57 3.2993 no . 1_455
C18 H65 3.5280 no . 1_455
C19 H47 3.5501 no . .
C21 H55 3.3616 no . 1_465
C26 H55 3.4370 no . 1_465
C27 H39 3.0301 no . 1_455
C27 H55 3.1632 no . 1_465
C29 H8 3.5011 no . 2_566
C32 H55 3.2214 no . 1_465
C35 H35C 3.4295 no . 2_557
C36 H18 3.5493 no . 1_655
C36 H33B 3.2424 no . .
C37 H14 3.3707 no . 2_556
C37 H33B 3.1926 no . .
C38 H33B 3.4677 no . .
C38 H34B 3.3586 no . .
C39 H27A 3.3524 no . 1_655
C39 H27C 3.5055 no . 1_655
C39 H34B 2.8831 no . .
C40 H34B 3.2079 no . .
C41 H18 3.4697 no . 1_655
C41 H33B 3.5031 no . .
C42 H12 3.3125 no . 1_655
C43 H19 3.5216 no . 1_655
C43 H19 3.3910 no . 2_557
C43 H20 3.4284 no . 2_557
C44 H33B 3.1907 no . .
C45 H33A 3.2175 no . .
C45 H33B 3.3071 no . .
C46 H29B 3.5931 no . 1_545
C46 H30A 3.3470 no . 1_545
C46 H33A 2.8413 no . .
C46 H33B 3.5574 no . .
C47 H30A 2.9407 no . 1_545
C47 H33A 2.9049 no . .
C48 H30A 3.0814 no . 1_545
C48 H33A 3.2997 no . .
C48 H33B 3.5121 no . .
C49 H30A 3.5923 no . 1_545
C49 H33B 3.2621 no . .
C50 H29B 3.3734 no . 1_545
C50 H33A 3.4018 no . .
C51 H30A 3.5741 no . 1_545
C51 H31B 3.5569 no . 2_557
C54 H27B 3.1075 no . 1_645
C55 H27B 2.9606 no . 1_645
C55 H27C 3.4539 no . 1_645
C55 H32C 3.5273 no . 1_645
C55 H32C 3.2843 no . 2_557
C56 H32C 3.1768 no . 2_557
C57 H18 3.3425 no . 1_655
C58 H27B 3.1931 no . 1_645
C58 H27C 3.5033 no . 1_645
C58 H34C 3.5667 no . 1_545
C59 H32C 3.5330 no . 2_557
C60 H14 3.4418 no . 2_556
C63 H13 3.1151 no . 2_556
C64 H13 3.1168 no . 2_556
C65 H14 3.3623 no . 2_556
C66 H7 3.3377 no . 1_545
C66 H63 3.3655 no . 2_646
C67 H13 3.4177 no . 2_556
H6 F3 2.4702 no . .
H6 F25 2.6140 no . .
H7 F3 2.7450 no . .
H7 F19 2.7429 no . 1_565
H7 F21 2.9566 no . 1_565
H7 F22 2.8415 no . 2_656
H7 F25 2.8898 no . .
H7 F26 3.3329 no . .
H7 F27 2.5895 no . 1_565
H7 C66 3.3377 no . 1_565
H8 F20 3.5880 no . 1_565
H8 F21 3.0388 no . 1_565
H8 F22 3.5261 no . 2_656
H8 F24 2.7737 no . 2_656
H8 F27 3.1183 no . 1_565
H8 C9 3.1463 no . 2_566
H8 C29 3.5011 no . 2_566
H8 H9 2.8322 no . 2_566
H8 H29B 3.5785 no . 2_566
H8 H29C 2.8186 no . 2_566
H9 F9 2.7282 no . 2_556
H9 F21 2.4944 no . 2_556
H9 F27 2.7762 no . 2_556
H9 C8 3.0234 no . 2_566
H9 C9 3.3759 no . 2_566
H9 H8 2.8322 no . 2_566
H9 H9 3.4251 no . 2_566
H9 H29A 3.2944 no . 2_566
H9 H29C 3.5908 no . 2_566
H10 F20 3.1418 no . 2_556
H10 F21 2.9810 no . 2_556
H10 F27 3.5614 no . 2_556
H12 F1 2.8427 no . 1_455
H12 F2 2.6555 no . 1_455
H12 F26 3.4312 no . 1_455
H12 C42 3.3125 no . 1_455
H13 F1 2.7375 no . 1_455
H13 F22 2.9617 no . 2_556
H13 F26 3.1825 no . 1_455
H13 C63 3.1151 no . 2_556
H13 C64 3.1168 no . 2_556
H13 C67 3.4177 no . 2_556
H13 H63 3.1868 no . 2_556
H14 F1 3.0999 no . 2_556
H14 F26 2.9767 no . 2_556
H14 C37 3.3707 no . 2_556
H14 C60 3.4418 no . 2_556
H14 C65 3.3623 no . 2_556
H14 H37 2.4219 no . 2_556
H14 H45 3.1954 no . 2_556
H15 F8 2.9720 no . 2_556
H15 F9 3.3664 no . 2_556
H15 H16 2.9300 no . 2_556
H15 H45 3.1584 no . 2_556
H16 F8 2.6444 no . .
H16 H15 2.9300 no . 2_556
H16 H16 3.1714 no . 2_556
H17 F7 3.0599 no . .
H17 F8 3.2934 no . .
H17 F23 2.4859 no . 1_455
H17 H65 3.2170 no . 1_455
H18 F7 3.5451 no . .
H18 F16 3.4674 no . 1_455
H18 F17 3.4346 no . 1_455
H18 C36 3.5493 no . 1_455
H18 C41 3.4697 no . 1_455
H18 C57 3.3425 no . 1_455
H18 H47 3.5178 no . .
H18 H57 2.4038 no . 1_455
H18 H65 2.8051 no . 1_455
H19 F4 3.4856 no . 1_455
H19 F4 3.2036 no . 2_557
H19 F5 2.9706 no . 1_455
H19 F5 2.9824 no . 2_557
H19 F6 3.2113 no . 2_557
H19 F10 3.5107 no . .
H19 F17 2.9725 no . 1_455
H19 C43 3.5216 no . 1_455
H19 C43 3.3910 no . 2_557
H19 H57 3.5700 no . 1_455
H20 F5 2.7030 no . 2_557
H20 F6 2.9788 no . 2_557
H20 C43 3.4284 no . 2_557
H27A F2 2.6802 no . 1_455
H27A C39 3.3524 no . 1_455
H27A H39 2.7630 no . 1_455
H27B F2 3.0707 no . 1_455
H27B F14 2.8493 no . 1_465
H27B F15 3.2084 no . 1_465
H27B C54 3.1075 no . 1_465
H27B C55 2.9606 no . 1_465
H27B C58 3.1931 no . 1_465
H27B H39 3.0865 no . 1_455
H27B H55 2.8548 no . 1_465
H27C F4 2.7854 no . 1_455
H27C F14 3.3945 no . 1_465
H27C F15 2.8748 no . 1_465
H27C C39 3.5055 no . 1_455
H27C C55 3.4539 no . 1_465
H27C C58 3.5033 no . 1_465
H27C H39 2.7369 no . 1_455
H27C H55 2.9007 no . 1_465
H28A F20 3.0877 no . 2_556
H28B F20 3.4093 no . 2_556
H28B F24 3.3365 no . 1_465
H28C F2 2.9965 no . 1_455
H29A H9 3.2944 no . 2_566
H29B F7 2.8752 no . 1_565
H29B F9 3.2348 no . 1_565
H29B F16 3.5317 no . 1_465
H29B F24 3.4927 no . 1_465
H29B C46 3.5931 no . 1_565
H29B C50 3.3734 no . 1_565
H29B H8 3.5785 no . 2_566
H29B H47 3.5801 no . 1_565
H29C F24 3.2431 no . 1_465
H29C H8 2.8186 no . 2_566
H29C H9 3.5908 no . 2_566
H30A F12 3.2865 no . 1_565
H30A C46 3.3470 no . 1_565
H30A C47 2.9407 no . 1_565
H30A C48 3.0814 no . 1_565
H30A C49 3.5923 no . 1_565
H30A C51 3.5741 no . 1_565
H30A H47 3.1373 no . 1_565
H30A H53 3.5912 no . 1_565
H30B H53 3.5103 no . 1_565
H30C F12 3.0756 no . 1_565
H30C F13 2.9457 no . 1_565
H30C H53 3.3559 no . 1_565
H31A F12 2.9630 no . 1_565
H31A F12 3.3668 no . 2_557
H31A F13 2.9568 no . 2_557
H31A F18 3.0943 no . 1_465
H31B F11 2.9807 no . 2_557
H31B F12 2.8820 no . 2_557
H31B F13 3.4275 no . 1_565
H31B C51 3.5569 no . 2_557
H31C F11 3.5598 no . 2_557
H31C F12 3.5231 no . 2_557
H31C F18 3.5849 no . 1_465
H31C H49 3.0099 no . 2_557
H32A F5 3.0767 no . 2_557
H32A H41 2.9966 no . 2_557
H32B F4 2.9572 no . 1_455
H32B F5 2.9815 no . 2_557
H32B F17 3.5033 no . 2_557
H32B H55 3.2713 no . 1_465
H32C F17 3.2219 no . 2_557
H32C F18 2.7637 no . 1_465
H32C C55 3.5273 no . 1_465
H32C C55 3.2843 no . 2_557
H32C C56 3.1768 no . 2_557
H32C C59 3.5330 no . 2_557
H32C H55 2.6161 no . 1_465
H32C H55 3.4902 no . 2_557
H33A F8 2.9428 no . .
H33A C45 3.2175 no . .
H33A C46 2.8413 no . .
H33A C47 2.9049 no . .
H33A C48 3.2997 no . .
H33A C50 3.4018 no . .
H33A H47 3.2437 no . .
H33B C36 3.2424 no . .
H33B C37 3.1926 no . .
H33B C38 3.4677 no . .
H33B C41 3.5031 no . .
H33B C44 3.1907 no . .
H33B C45 3.3071 no . .
H33B C46 3.5574 no . .
H33B C48 3.5121 no . .
H33B C49 3.2621 no . .
H33B H37 3.5123 no . .
H33C F3 3.1177 no . .
H33C F8 3.3790 no . .
H33C F25 3.3440 no . .
H33C H37 3.5956 no . .
H34A F3 2.8092 no . .
H34A F14 2.8632 no . 1_565
H34A F25 2.4969 no . .
H34A H39 3.5123 no . .
H34B F3 3.5014 no . .
H34B F6 3.1657 no . .
H34B F11 3.3686 no . 2_557
H34B F14 3.1645 no . 1_565
H34B F25 3.2369 no . .
H34B C38 3.3586 no . .
H34B C39 2.8831 no . .
H34B C40 3.2079 no . .
H34B H39 2.9085 no . .
H34C F11 2.9353 no . 2_557
H34C F12 3.4962 no . 2_557
H34C F13 2.9303 no . 1_565
H34C F14 3.0904 no . 1_565
H34C C58 3.5667 no . 1_565
H35A F6 2.7380 no . 2_557
H35A F11 3.1304 no . .
H35A H35C 3.5421 no . 2_557
H35B F6 3.3062 no . 2_557
H35B F11 2.8077 no . 2_557
H35B H35C 3.4451 no . 2_557
H35C F6 3.5259 no . .
H35C F11 3.3022 no . .
H35C F11 2.8917 no . 2_557
H35C C35 3.4295 no . 2_557
H35C H35A 3.5421 no . 2_557
H35C H35B 3.4451 no . 2_557
H35C H35C 2.7941 no . 2_557
H37 C14 3.3573 no . 2_556
H37 H14 2.4219 no . 2_556
H37 H33B 3.5123 no . .
H37 H33C 3.5956 no . .
H39 F14 2.7278 no . 1_565
H39 F15 3.2750 no . 1_565
H39 C27 3.0301 no . 1_655
H39 H27A 2.7630 no . 1_655
H39 H27B 3.0865 no . 1_655
H39 H27C 2.7369 no . 1_655
H39 H34A 3.5123 no . .
H39 H34B 2.9085 no . .
H41 H32A 2.9966 no . 2_557
H45 C14 3.5165 no . 2_556
H45 C15 3.4931 no . 2_556
H45 H14 3.1954 no . 2_556
H45 H15 3.1584 no . 2_556
H47 F16 3.0894 no . 1_455
H47 C18 3.3998 no . .
H47 C19 3.5501 no . .
H47 H18 3.5178 no . .
H47 H29B 3.5801 no . 1_545
H47 H30A 3.1373 no . 1_545
H47 H33A 3.2437 no . .
H49 H31C 3.0099 no . 2_557
H53 H30A 3.5912 no . 1_545
H53 H30B 3.5103 no . 1_545
H53 H30C 3.3559 no . 1_545
H55 F17 3.5831 no . 2_647
H55 F18 2.8531 no . 2_647
H55 C21 3.3616 no . 1_645
H55 C26 3.4370 no . 1_645
H55 C27 3.1632 no . 1_645
H55 C32 3.2214 no . 1_645
H55 H27B 2.8548 no . 1_645
H55 H27C 2.9007 no . 1_645
H55 H32B 3.2713 no . 1_645
H55 H32C 2.6161 no . 1_645
H55 H32C 3.4902 no . 2_557
H55 H55 3.4311 no . 2_647
H57 C18 3.2993 no . 1_655
H57 H18 2.4038 no . 1_655
H57 H19 3.5700 no . 1_655
H63 F19 2.6466 no . 2_646
H63 F20 2.9073 no . 2_646
H63 C66 3.3655 no . 2_646
H63 H13 3.1868 no . 2_556
H65 C18 3.5280 no . 1_655
H65 H17 3.2170 no . 1_655
H65 H18 2.8051 no . 1_655

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-dichloroethane/hexane'
####################################################################### 
# 
# 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_20140728_takano_exp217
_database_code_depnum_ccdc_archive 'CCDC 1036845'
_audit_update_record             
;
2014-12-01 deposited with the CCDC.
2015-01-05 downloaded from the CCDC.
;

#==============================================================================
# CHEMICAL DATA

_chemical_formula_sum            'C62 H52 B F24 P Ru'
_chemical_formula_moiety         'C62 H52 B F24 P Ru'
_chemical_formula_weight         1395.91
_chemical_melting_point          ?

#==============================================================================
# CRYSTAL DATA
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -X,-Y,-Z
#------------------------------------------------------------------------------
_cell_length_a                   12.467(5)
_cell_length_b                   14.291(6)
_cell_length_c                   17.015(7)
_cell_angle_alpha                82.854(11)
_cell_angle_beta                 79.193(12)
_cell_angle_gamma                88.453(13)
_cell_volume                     2955(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    6897
_cell_measurement_theta_min      2.59
_cell_measurement_theta_max      31.34
_cell_measurement_temperature    93
#------------------------------------------------------------------------------
_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.140
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1408.00
_exptl_absorpt_coefficient_mu    0.409
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_correction_T_min  0.750
_exptl_absorpt_correction_T_max  0.944

#==============================================================================
# EXPERIMENTAL DATA

_diffrn_ambient_temperature      93
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean 7.111
_diffrn_reflns_number            24322
_diffrn_reflns_av_R_equivalents  0.0763
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measured_fraction_theta_full 0.960
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_standards_number         0
_diffrn_standards_interval_count .
_diffrn_standards_decay_%        ?

#==============================================================================
# REFINEMENT DATA

_refine_special_details          
;
    Refinement was performed using all reflections. The weighted 
    R-factor (wR) and goodness of fit (S) are based on F².
    R-factor (gt) are based on F. The threshold expression of
    F² > 2.0 sigma(F²) is used only for calculating R-factor (gt).
;
_reflns_number_total             12995
_reflns_number_gt                8671
_reflns_threshold_expression     F²>2.0σ(F²)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_R_factor_gt           0.0756
_refine_ls_wR_factor_ref         0.1911
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_reflns         12995
_refine_ls_number_parameters     812
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w = 1/[σ²(Fo²)+(0.0774P)²+0.5103P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_refine_ls_shift/su_max          0.001
_refine_diff_density_max         2.490
_refine_diff_density_min         -1.040
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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 for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
F F 0.0171 0.0103
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
B B 0.0013 0.0007
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;

#==============================================================================
# ATOMIC COORDINATES AND THERMAL PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.42090(3) 0.27323(3) 0.74824(2) 0.02268(13) Uani 1.0 2 d . . .
P1 P 0.43766(10) 0.42726(9) 0.68016(7) 0.0273(3) Uani 1.0 2 d . . .
F1 F 1.2413(2) 0.6811(2) 0.54106(16) 0.0338(7) Uani 1.0 2 d . . .
F2 F 1.2115(2) 0.8274(2) 0.55643(17) 0.0342(7) Uani 1.0 2 d . . .
F3 F 1.2252(2) 0.7269(3) 0.65862(16) 0.0342(7) Uani 1.0 2 d . . .
F4 F 0.9166(3) 0.5668(3) 0.46512(16) 0.0382(8) Uani 1.0 2 d . . .
F5 F 0.7580(3) 0.6127(3) 0.5220(2) 0.0496(9) Uani 1.0 2 d . . .
F6 F 0.8382(3) 0.4954(3) 0.57857(18) 0.0407(8) Uani 1.0 2 d . . .
F7 F 0.9856(3) 0.8560(2) 1.00338(16) 0.0318(7) Uani 1.0 2 d . . .
F8 F 1.1121(2) 0.7617(3) 0.95470(16) 0.0347(8) Uani 1.0 2 d . . .
F9 F 1.0044(3) 0.7189(2) 1.06745(15) 0.0325(7) Uani 1.0 2 d . . .
F10 F 0.7934(4) 0.4533(3) 0.88344(19) 0.0635(12) Uani 1.0 2 d . . .
F11 F 0.6762(3) 0.5002(3) 0.9771(3) 0.0787(14) Uani 1.0 2 d . . .
F12 F 0.8289(4) 0.4495(3) 1.0004(3) 0.0744(14) Uani 1.0 2 d . . .
F13 F 0.3768(3) 0.7963(3) 0.91828(19) 0.0554(11) Uani 1.0 2 d . . .
F14 F 0.4206(3) 0.6538(3) 0.90030(17) 0.0419(8) Uani 1.0 2 d . . .
F15 F 0.2993(3) 0.7232(3) 0.84080(18) 0.0493(10) Uani 1.0 2 d . . .
F16 F 0.4881(3) 0.7723(3) 0.54196(19) 0.0550(10) Uani 1.0 2 d . . .
F17 F 0.4344(3) 0.9089(3) 0.56980(17) 0.0483(9) Uani 1.0 2 d . . .
F18 F 0.6021(3) 0.8859(3) 0.51735(16) 0.0453(9) Uani 1.0 2 d . . .
F19 F 0.8089(3) 1.0659(3) 0.96057(18) 0.0481(9) Uani 1.0 2 d . . .
F20 F 0.6545(3) 1.0865(3) 0.92207(19) 0.0504(9) Uani 1.0 2 d . . .
F21 F 0.7753(4) 1.1964(3) 0.8923(2) 0.0600(11) Uani 1.0 2 d . . .
F22 F 1.0380(6) 1.1970(5) 0.6319(4) 0.0619(17) Uiso 0.6000 2 d . . .
F23 F 0.9372(3) 1.1347(4) 0.5559(2) 0.0749(14) Uani 1.0 2 d . . .
F24 F 1.0767(5) 1.0723(5) 0.5812(4) 0.0458(14) Uiso 0.6000 2 d . . .
F25 F 0.9683(7) 1.2254(7) 0.6252(5) 0.047(2) Uiso 0.4000 2 d . . .
F26 F 1.0810(8) 1.1145(8) 0.6101(6) 0.057(3) Uiso 0.4000 2 d . . .
C1 C 0.3265(4) 0.2567(4) 0.6537(3) 0.0249(11) Uani 1.0 2 d . . .
C2 C 0.2654(4) 0.2217(4) 0.7328(3) 0.0235(11) Uani 1.0 2 d . . .
C3 C 0.2472(4) 0.2902(4) 0.7908(3) 0.0241(10) Uani 1.0 2 d . . .
C4 C 0.2304(4) 0.1212(4) 0.7526(3) 0.0237(10) Uani 1.0 2 d . . .
C5 C 0.2601(4) 0.0545(4) 0.6986(3) 0.0267(11) Uani 1.0 2 d . . .
C6 C 0.2216(4) -0.0374(4) 0.7187(3) 0.0306(12) Uani 1.0 2 d . . .
C7 C 0.1526(4) -0.0641(4) 0.7917(4) 0.0335(12) Uani 1.0 2 d . . .
C8 C 0.1178(5) 0.0031(4) 0.8438(3) 0.0380(14) Uani 1.0 2 d . . .
C9 C 0.1555(4) 0.0948(4) 0.8240(3) 0.0310(12) Uani 1.0 2 d . . .
C10 C 0.1818(4) 0.3780(4) 0.7815(3) 0.0265(11) Uani 1.0 2 d . . .
C11 C 0.1036(4) 0.3849(4) 0.7328(3) 0.0335(12) Uani 1.0 2 d . . .
C12 C 0.0384(5) 0.4670(5) 0.7287(4) 0.0440(15) Uani 1.0 2 d . . .
C13 C 0.0513(5) 0.5396(4) 0.7724(3) 0.0423(15) Uani 1.0 2 d . . .
C14 C 0.1286(5) 0.5327(4) 0.8202(3) 0.0401(14) Uani 1.0 2 d . . .
C15 C 0.1927(4) 0.4518(4) 0.8266(3) 0.0297(12) Uani 1.0 2 d . . .
C16 C 0.5288(4) 0.1417(4) 0.7421(3) 0.0313(12) Uani 1.0 2 d . . .
C17 C 0.4634(4) 0.1297(4) 0.8196(3) 0.0309(12) Uani 1.0 2 d . . .
C18 C 0.4522(4) 0.2039(4) 0.8687(3) 0.0312(12) Uani 1.0 2 d . . .
C19 C 0.5196(5) 0.2847(4) 0.8450(3) 0.0324(12) Uani 1.0 2 d . . .
C20 C 0.5989(4) 0.2884(4) 0.7723(3) 0.0337(13) Uani 1.0 2 d . . .
C21 C 0.5995(4) 0.2206(4) 0.7188(3) 0.0301(12) Uani 1.0 2 d . . .
C22 C 0.5382(6) 0.0643(6) 0.6869(5) 0.0521(18) Uani 1.0 2 d . . .
C23 C 0.4129(5) 0.0340(4) 0.8535(4) 0.0462(16) Uani 1.0 2 d . . .
C24 C 0.3761(5) 0.1936(5) 0.9504(3) 0.0501(17) Uani 1.0 2 d . . .
C25 C 0.5195(6) 0.3564(5) 0.9042(4) 0.0560(18) Uani 1.0 2 d . . .
C26 C 0.6893(5) 0.3608(5) 0.7548(4) 0.057(2) Uani 1.0 2 d . . .
C27 C 0.6808(5) 0.2216(5) 0.6401(4) 0.0517(17) Uani 1.0 2 d . . .
C28 C 0.3339(4) 0.4932(4) 0.6326(3) 0.0321(12) Uani 1.0 2 d . . .
C29 C 0.4729(5) 0.5189(4) 0.7352(4) 0.0422(14) Uani 1.0 2 d . . .
C30 C 0.5474(5) 0.4317(4) 0.5913(3) 0.0393(14) Uani 1.0 2 d . . .
C31 C 0.8827(4) 0.7581(4) 0.6814(3) 0.0188(10) Uani 1.0 2 d . . .
C32 C 0.9973(4) 0.7700(4) 0.6632(3) 0.0204(10) Uani 1.0 2 d . . .
C33 C 1.0634(4) 0.7226(4) 0.6055(3) 0.0202(10) Uani 1.0 2 d . . .
C34 C 1.0210(4) 0.6621(4) 0.5622(3) 0.0214(10) Uani 1.0 2 d . . .
C35 C 0.9088(4) 0.6475(4) 0.5798(3) 0.0197(10) Uani 1.0 2 d . . .
C36 C 0.8420(4) 0.6933(4) 0.6385(3) 0.0207(10) Uani 1.0 2 d . . .
C37 C 1.1840(4) 0.7398(4) 0.5899(3) 0.0252(11) Uani 1.0 2 d . . .
C38 C 0.8567(4) 0.5818(4) 0.5362(3) 0.0300(12) Uani 1.0 2 d . . .
C39 C 0.8298(4) 0.7493(4) 0.8365(3) 0.0172(9) Uani 1.0 2 d . . .
C40 C 0.8998(4) 0.7811(4) 0.8834(3) 0.0209(10) Uani 1.0 2 d . . .
C41 C 0.9313(4) 0.7250(4) 0.9483(3) 0.0208(10) Uani 1.0 2 d . . .
C42 C 0.8944(4) 0.6336(4) 0.9692(3) 0.0222(10) Uani 1.0 2 d . . .
C43 C 0.8249(4) 0.5989(4) 0.9252(3) 0.0225(10) Uani 1.0 2 d . . .
C44 C 0.7941(4) 0.6563(4) 0.8596(3) 0.0212(10) Uani 1.0 2 d . . .
C45 C 1.0081(4) 0.7649(4) 0.9935(3) 0.0244(11) Uani 1.0 2 d . . .
C46 C 0.7821(5) 0.5007(4) 0.9461(3) 0.0339(13) Uani 1.0 2 d . . .
C47 C 0.6774(4) 0.8042(4) 0.7437(3) 0.0197(10) Uani 1.0 2 d . . .
C48 C 0.5900(4) 0.7756(3) 0.8056(3) 0.0192(9) Uani 1.0 2 d . . .
C49 C 0.4831(4) 0.7706(4) 0.7932(3) 0.0208(10) Uani 1.0 2 d . . .
C50 C 0.4582(4) 0.7944(4) 0.7166(3) 0.0228(10) Uani 1.0 2 d . . .
C51 C 0.5433(4) 0.8247(4) 0.6540(3) 0.0211(10) Uani 1.0 2 d . . .
C52 C 0.6486(4) 0.8314(4) 0.6674(3) 0.0208(10) Uani 1.0 2 d . . .
C53 C 0.3943(4) 0.7373(4) 0.8632(3) 0.0296(12) Uani 1.0 2 d . . .
C54 C 0.5175(4) 0.8483(4) 0.5713(3) 0.0317(12) Uani 1.0 2 d . . .
C55 C 0.8324(4) 0.9202(4) 0.7522(3) 0.0222(10) Uani 1.0 2 d . . .
C56 C 0.7883(4) 0.9682(4) 0.8179(3) 0.0238(10) Uani 1.0 2 d . . .
C57 C 0.8102(4) 1.0613(4) 0.8229(3) 0.0287(11) Uani 1.0 2 d . . .
C58 C 0.8759(5) 1.1137(4) 0.7588(3) 0.0328(12) Uani 1.0 2 d . . .
C59 C 0.9167(4) 1.0711(4) 0.6909(3) 0.0312(12) Uani 1.0 2 d . . .
C60 C 0.8969(4) 0.9768(4) 0.6865(3) 0.0244(11) Uani 1.0 2 d . . .
C61 C 0.7628(5) 1.1038(4) 0.8983(3) 0.0359(13) Uani 1.0 2 d . . .
C62 C 0.9839(5) 1.1269(5) 0.6174(4) 0.0415(15) Uani 1.0 2 d . . .
B1 B 0.8050(4) 0.8093(4) 0.7531(3) 0.0192(11) Uani 1.0 2 d . . .
H1A H 0.2990 0.3153 0.6264 0.0299 Uiso 1.0 2 calc R . .
H1B H 0.3534 0.2092 0.6170 0.0299 Uiso 1.0 2 calc R . .
H22A H 0.605(4) 0.023(4) 0.692(3) 0.023(13) Uiso 1.0 2 d . . .
H3 H 0.2258 0.2570 0.8466 0.0289 Uiso 1.0 2 calc R . .
H22B H 0.467(5) 0.016(4) 0.706(4) 0.043(16) Uiso 1.0 2 d . . .
H5 H 0.3066 0.0721 0.6482 0.0321 Uiso 1.0 2 calc R . .
H6 H 0.2428 -0.0824 0.6820 0.0367 Uiso 1.0 2 calc R . .
H7 H 0.1292 -0.1277 0.8061 0.0402 Uiso 1.0 2 calc R . .
H8 H 0.0683 -0.0140 0.8928 0.0456 Uiso 1.0 2 calc R . .
H9 H 0.1303 0.1405 0.8594 0.0373 Uiso 1.0 2 calc R . .
H22C H 0.554(9) 0.096(8) 0.630(7) 0.16(5) Uiso 1.0 2 d . . .
H11 H 0.0941 0.3351 0.7026 0.0402 Uiso 1.0 2 calc R . .
H12 H -0.0152 0.4723 0.6954 0.0528 Uiso 1.0 2 calc R . .
H13 H 0.0065 0.5944 0.7694 0.0507 Uiso 1.0 2 calc R . .
H14 H 0.1387 0.5835 0.8491 0.0481 Uiso 1.0 2 calc R . .
H15 H 0.2441 0.4466 0.8617 0.0356 Uiso 1.0 2 calc R . .
H23A H 0.4710 -0.0133 0.8564 0.0554 Uiso 1.0 2 calc R . .
H23B H 0.3651 0.0160 0.8183 0.0554 Uiso 1.0 2 calc R . .
H23C H 0.3702 0.0374 0.9076 0.0554 Uiso 1.0 2 calc R . .
H24A H 0.3248 0.2468 0.9531 0.0601 Uiso 1.0 2 calc R . .
H24B H 0.4190 0.1928 0.9932 0.0601 Uiso 1.0 2 calc R . .
H24C H 0.3353 0.1345 0.9575 0.0601 Uiso 1.0 2 calc R . .
H25A H 0.5423 0.3254 0.9532 0.0672 Uiso 1.0 2 calc R . .
H25B H 0.4458 0.3824 0.9181 0.0672 Uiso 1.0 2 calc R . .
H25C H 0.5704 0.4074 0.8794 0.0672 Uiso 1.0 2 calc R . .
H26A H 0.6887 0.3976 0.7023 0.0686 Uiso 1.0 2 calc R . .
H26B H 0.7599 0.3287 0.7541 0.0686 Uiso 1.0 2 calc R . .
H26C H 0.6778 0.4031 0.7968 0.0686 Uiso 1.0 2 calc R . .
H27A H 0.7552 0.2163 0.6513 0.0620 Uiso 1.0 2 calc R . .
H27B H 0.6734 0.2808 0.6056 0.0620 Uiso 1.0 2 calc R . .
H27C H 0.6664 0.1683 0.6124 0.0620 Uiso 1.0 2 calc R . .
H28A H 0.3671 0.5492 0.5985 0.0386 Uiso 1.0 2 calc R . .
H28B H 0.2752 0.5126 0.6744 0.0386 Uiso 1.0 2 calc R . .
H28C H 0.3038 0.4530 0.5994 0.0386 Uiso 1.0 2 calc R . .
H29A H 0.4079 0.5370 0.7724 0.0507 Uiso 1.0 2 calc R . .
H29B H 0.5007 0.5739 0.6973 0.0507 Uiso 1.0 2 calc R . .
H29C H 0.5293 0.4954 0.7659 0.0507 Uiso 1.0 2 calc R . .
H30A H 0.6178 0.4202 0.6087 0.0471 Uiso 1.0 2 calc R . .
H30B H 0.5481 0.4940 0.5598 0.0471 Uiso 1.0 2 calc R . .
H30C H 0.5351 0.3831 0.5581 0.0471 Uiso 1.0 2 calc R . .
H32 H 1.0300 0.8116 0.6912 0.0244 Uiso 1.0 2 calc R . .
H34 H 1.0667 0.6315 0.5218 0.0257 Uiso 1.0 2 calc R . .
H36 H 0.7659 0.6804 0.6499 0.0248 Uiso 1.0 2 calc R . .
H40 H 0.9269 0.8437 0.8703 0.0250 Uiso 1.0 2 calc R . .
H42 H 0.9163 0.5950 1.0132 0.0266 Uiso 1.0 2 calc R . .
H44 H 0.7471 0.6308 0.8298 0.0255 Uiso 1.0 2 calc R . .
H48 H 0.6041 0.7589 0.8586 0.0230 Uiso 1.0 2 calc R . .
H50 H 0.3857 0.7900 0.7075 0.0274 Uiso 1.0 2 calc R . .
H52 H 0.7039 0.8552 0.6237 0.0250 Uiso 1.0 2 calc R . .
H56 H 0.7404 0.9346 0.8618 0.0285 Uiso 1.0 2 calc R . .
H58 H 0.8924 1.1776 0.7615 0.0393 Uiso 1.0 2 calc R . .
H60 H 0.9269 0.9497 0.6389 0.0292 Uiso 1.0 2 calc R . .



#==============================================================================
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       CrystalClear
_computing_data_reduction        CrystalClear
_computing_structure_solution    SIR97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2010)'
_computing_molecular_graphics    'CrystalStructure 4.0'

#==============================================================================
# MOLECULAR GEOMETRY

_geom_special_details            
;
    ENTER SPECIAL DETAILS OF THE MOLECULAR GEOMETRY
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
Ru1 P1 2.3517(16) yes . .
Ru1 C1 2.201(5) yes . .
Ru1 C2 2.165(5) yes . .
Ru1 C3 2.168(5) yes . .
Ru1 C16 2.283(6) yes . .
Ru1 C17 2.351(6) yes . .
Ru1 C18 2.261(5) yes . .
Ru1 C19 2.256(6) yes . .
Ru1 C20 2.351(6) yes . .
Ru1 C21 2.315(5) yes . .
P1 C28 1.831(6) yes . .
P1 C29 1.810(7) yes . .
P1 C30 1.835(5) yes . .
F1 C37 1.350(6) yes . .
F2 C37 1.334(6) yes . .
F3 C37 1.354(6) yes . .
F4 C38 1.336(6) yes . .
F5 C38 1.351(6) yes . .
F6 C38 1.352(6) yes . .
F7 C45 1.349(6) yes . .
F8 C45 1.341(5) yes . .
F9 C45 1.339(5) yes . .
F10 C46 1.316(7) yes . .
F11 C46 1.327(7) yes . .
F12 C46 1.319(7) yes . .
F13 C53 1.322(7) yes . .
F14 C53 1.341(6) yes . .
F15 C53 1.338(6) yes . .
F16 C54 1.336(7) yes . .
F17 C54 1.334(7) yes . .
F18 C54 1.338(6) yes . .
F19 C61 1.347(7) yes . .
F20 C61 1.355(7) yes . .
F21 C61 1.326(7) yes . .
F22 F25 0.969(12) yes . .
F22 F26 1.348(13) yes . .
F22 C62 1.297(10) yes . .
F23 C62 1.281(8) yes . .
F24 F26 0.832(13) yes . .
F24 C62 1.459(8) yes . .
F25 C62 1.435(11) yes . .
F26 C62 1.204(12) yes . .
C1 C2 1.452(6) yes . .
C2 C3 1.459(7) yes . .
C2 C4 1.491(7) yes . .
C3 C10 1.486(7) yes . .
C4 C5 1.400(7) yes . .
C4 C9 1.405(6) yes . .
C5 C6 1.390(7) yes . .
C6 C7 1.389(7) yes . .
C7 C8 1.392(8) yes . .
C8 C9 1.383(8) yes . .
C10 C11 1.387(8) yes . .
C10 C15 1.402(8) yes . .
C11 C12 1.411(8) yes . .
C12 C13 1.380(9) yes . .
C13 C14 1.366(9) yes . .
C14 C15 1.392(8) yes . .
C16 C17 1.408(7) yes . .
C16 C21 1.419(8) yes . .
C16 C22 1.527(10) yes . .
C17 C18 1.418(8) yes . .
C17 C23 1.521(8) yes . .
C18 C19 1.417(8) yes . .
C18 C24 1.522(7) yes . .
C19 C20 1.429(7) yes . .
C19 C25 1.523(9) yes . .
C20 C21 1.408(8) yes . .
C20 C26 1.514(9) yes . .
C21 C27 1.520(7) yes . .
C31 C32 1.414(6) yes . .
C31 C36 1.407(7) yes . .
C31 B1 1.644(7) yes . .
C32 C33 1.390(6) yes . .
C33 C34 1.379(7) yes . .
C33 C37 1.499(6) yes . .
C34 C35 1.390(6) yes . .
C35 C36 1.393(6) yes . .
C35 C38 1.497(8) yes . .
C39 C40 1.407(7) yes . .
C39 C44 1.399(7) yes . .
C39 B1 1.641(7) yes . .
C40 C41 1.392(6) yes . .
C41 C42 1.379(7) yes . .
C41 C45 1.500(7) yes . .
C42 C43 1.384(7) yes . .
C43 C44 1.408(7) yes . .
C43 C46 1.491(8) yes . .
C47 C48 1.397(6) yes . .
C47 C52 1.416(7) yes . .
C47 B1 1.632(7) yes . .
C48 C49 1.393(7) yes . .
C49 C50 1.395(7) yes . .
C49 C53 1.504(6) yes . .
C50 C51 1.390(6) yes . .
C51 C52 1.382(7) yes . .
C51 C54 1.498(7) yes . .
C55 C56 1.401(7) yes . .
C55 C60 1.422(6) yes . .
C55 B1 1.628(8) yes . .
C56 C57 1.382(8) yes . .
C57 C58 1.384(7) yes . .
C57 C61 1.500(8) yes . .
C58 C59 1.379(8) yes . .
C59 C60 1.391(8) yes . .
C59 C62 1.516(7) yes . .
C1 H1A 0.990 no . .
C1 H1B 0.990 no . .
C3 H3 1.000 no . .
C5 H5 0.950 no . .
C6 H6 0.950 no . .
C7 H7 0.950 no . .
C8 H8 0.950 no . .
C9 H9 0.950 no . .
C11 H11 0.950 no . .
C12 H12 0.950 no . .
C13 H13 0.950 no . .
C14 H14 0.950 no . .
C15 H15 0.950 no . .
C22 H22A 1.01(5) no . .
C22 H22B 1.12(6) no . .
C22 H22C 1.00(10) no . .
C23 H23A 0.980 no . .
C23 H23B 0.980 no . .
C23 H23C 0.980 no . .
C24 H24A 0.980 no . .
C24 H24B 0.980 no . .
C24 H24C 0.980 no . .
C25 H25A 0.980 no . .
C25 H25B 0.980 no . .
C25 H25C 0.980 no . .
C26 H26A 0.980 no . .
C26 H26B 0.980 no . .
C26 H26C 0.980 no . .
C27 H27A 0.980 no . .
C27 H27B 0.980 no . .
C27 H27C 0.980 no . .
C28 H28A 0.980 no . .
C28 H28B 0.980 no . .
C28 H28C 0.980 no . .
C29 H29A 0.980 no . .
C29 H29B 0.980 no . .
C29 H29C 0.980 no . .
C30 H30A 0.980 no . .
C30 H30B 0.980 no . .
C30 H30C 0.980 no . .
C32 H32 0.950 no . .
C34 H34 0.950 no . .
C36 H36 0.950 no . .
C40 H40 0.950 no . .
C42 H42 0.950 no . .
C44 H44 0.950 no . .
C48 H48 0.950 no . .
C50 H50 0.950 no . .
C52 H52 0.950 no . .
C56 H56 0.950 no . .
C58 H58 0.950 no . .
C60 H60 0.950 no . .

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
P1 Ru1 C1 80.96(13) yes . . .
P1 Ru1 C2 105.92(13) yes . . .
P1 Ru1 C3 92.51(13) yes . . .
P1 Ru1 C16 133.85(12) yes . . .
P1 Ru1 C17 161.11(13) yes . . .
P1 Ru1 C18 134.95(15) yes . . .
P1 Ru1 C19 100.77(14) yes . . .
P1 Ru1 C20 87.78(14) yes . . .
P1 Ru1 C21 100.75(13) yes . . .
C1 Ru1 C2 38.84(15) yes . . .
C1 Ru1 C3 68.37(17) yes . . .
C1 Ru1 C16 100.61(19) yes . . .
C1 Ru1 C17 113.76(19) yes . . .
C1 Ru1 C18 142.09(19) yes . . .
C1 Ru1 C19 177.95(19) yes . . .
C1 Ru1 C20 143.43(16) yes . . .
C1 Ru1 C21 113.40(18) yes . . .
C2 Ru1 C3 39.34(19) yes . . .
C2 Ru1 C16 102.64(19) yes . . .
C2 Ru1 C17 92.82(18) yes . . .
C2 Ru1 C18 107.15(17) yes . . .
C2 Ru1 C19 140.84(17) yes . . .
C2 Ru1 C20 165.48(19) yes . . .
C2 Ru1 C21 134.16(19) yes . . .
C3 Ru1 C16 131.39(18) yes . . .
C3 Ru1 C17 103.75(17) yes . . .
C3 Ru1 C18 94.09(17) yes . . .
C3 Ru1 C19 112.51(18) yes . . .
C3 Ru1 C20 147.31(18) yes . . .
C3 Ru1 C21 166.74(18) yes . . .
C16 Ru1 C17 35.34(17) yes . . .
C16 Ru1 C18 65.25(19) yes . . .
C16 Ru1 C19 77.4(2) yes . . .
C16 Ru1 C20 63.5(2) yes . . .
C16 Ru1 C21 35.95(18) yes . . .
C17 Ru1 C18 35.8(2) yes . . .
C17 Ru1 C19 64.3(2) yes . . .
C17 Ru1 C20 73.35(19) yes . . .
C17 Ru1 C21 63.21(17) yes . . .
C18 Ru1 C19 36.58(19) yes . . .
C18 Ru1 C20 64.09(17) yes . . .
C18 Ru1 C21 76.63(17) yes . . .
C19 Ru1 C20 36.05(17) yes . . .
C19 Ru1 C21 65.29(19) yes . . .
C20 Ru1 C21 35.1(2) yes . . .
Ru1 P1 C28 126.48(18) yes . . .
Ru1 P1 C29 116.97(18) yes . . .
Ru1 P1 C30 110.02(19) yes . . .
C28 P1 C29 97.7(3) yes . . .
C28 P1 C30 98.2(3) yes . . .
C29 P1 C30 104.1(3) yes . . .
F25 F22 F26 128.9(10) yes . . .
F25 F22 C62 77.1(8) yes . . .
F26 F22 C62 54.1(6) yes . . .
F26 F24 C62 55.6(8) yes . . .
F22 F25 C62 61.8(7) yes . . .
F22 F26 F24 144.4(12) yes . . .
F22 F26 C62 60.8(7) yes . . .
F24 F26 C62 89.7(10) yes . . .
Ru1 C1 C2 69.2(3) yes . . .
Ru1 C2 C1 71.9(3) yes . . .
Ru1 C2 C3 70.5(3) yes . . .
Ru1 C2 C4 124.2(4) yes . . .
C1 C2 C3 115.0(5) yes . . .
C1 C2 C4 121.2(5) yes . . .
C3 C2 C4 123.7(4) yes . . .
Ru1 C3 C2 70.2(3) yes . . .
Ru1 C3 C10 127.0(3) yes . . .
C2 C3 C10 124.3(5) yes . . .
C2 C4 C5 122.3(4) yes . . .
C2 C4 C9 118.8(5) yes . . .
C5 C4 C9 118.5(5) yes . . .
C4 C5 C6 120.1(4) yes . . .
C5 C6 C7 120.8(5) yes . . .
C6 C7 C8 119.5(5) yes . . .
C7 C8 C9 120.0(5) yes . . .
C4 C9 C8 121.0(5) yes . . .
C3 C10 C11 120.2(5) yes . . .
C3 C10 C15 120.3(5) yes . . .
C11 C10 C15 119.3(5) yes . . .
C10 C11 C12 119.0(6) yes . . .
C11 C12 C13 121.0(6) yes . . .
C12 C13 C14 119.8(6) yes . . .
C13 C14 C15 120.5(6) yes . . .
C10 C15 C14 120.3(5) yes . . .
Ru1 C16 C17 75.0(3) yes . . .
Ru1 C16 C21 73.3(3) yes . . .
Ru1 C16 C22 130.9(5) yes . . .
C17 C16 C21 119.8(5) yes . . .
C17 C16 C22 121.1(5) yes . . .
C21 C16 C22 118.5(5) yes . . .
Ru1 C17 C16 69.7(3) yes . . .
Ru1 C17 C18 68.7(3) yes . . .
Ru1 C17 C23 140.2(4) yes . . .
C16 C17 C18 120.2(5) yes . . .
C16 C17 C23 119.7(5) yes . . .
C18 C17 C23 119.9(5) yes . . .
Ru1 C18 C17 75.6(3) yes . . .
Ru1 C18 C19 71.6(3) yes . . .
Ru1 C18 C24 129.2(4) yes . . .
C17 C18 C19 119.8(4) yes . . .
C17 C18 C24 120.4(5) yes . . .
C19 C18 C24 119.5(5) yes . . .
Ru1 C19 C18 71.9(4) yes . . .
Ru1 C19 C20 75.6(4) yes . . .
Ru1 C19 C25 132.5(4) yes . . .
C18 C19 C20 118.7(5) yes . . .
C18 C19 C25 119.1(5) yes . . .
C20 C19 C25 121.3(5) yes . . .
Ru1 C20 C19 68.4(3) yes . . .
Ru1 C20 C21 71.1(3) yes . . .
Ru1 C20 C26 138.8(4) yes . . .
C19 C20 C21 120.8(5) yes . . .
C19 C20 C26 120.2(6) yes . . .
C21 C20 C26 118.8(5) yes . . .
Ru1 C21 C16 70.8(3) yes . . .
Ru1 C21 C20 73.8(3) yes . . .
Ru1 C21 C27 132.3(4) yes . . .
C16 C21 C20 119.3(5) yes . . .
C16 C21 C27 117.3(5) yes . . .
C20 C21 C27 123.2(5) yes . . .
C32 C31 C36 115.0(4) yes . . .
C32 C31 B1 122.0(4) yes . . .
C36 C31 B1 122.8(4) yes . . .
C31 C32 C33 121.9(5) yes . . .
C32 C33 C34 122.0(4) yes . . .
C32 C33 C37 118.3(5) yes . . .
C34 C33 C37 119.7(4) yes . . .
C33 C34 C35 117.5(4) yes . . .
C34 C35 C36 121.0(5) yes . . .
C34 C35 C38 120.7(4) yes . . .
C36 C35 C38 118.3(4) yes . . .
C31 C36 C35 122.6(4) yes . . .
F1 C37 F2 106.6(4) yes . . .
F1 C37 F3 105.6(4) yes . . .
F1 C37 C33 113.1(5) yes . . .
F2 C37 F3 105.7(4) yes . . .
F2 C37 C33 113.3(4) yes . . .
F3 C37 C33 111.9(4) yes . . .
F4 C38 F5 106.8(4) yes . . .
F4 C38 F6 105.5(4) yes . . .
F4 C38 C35 113.7(4) yes . . .
F5 C38 F6 105.1(4) yes . . .
F5 C38 C35 112.5(5) yes . . .
F6 C38 C35 112.5(4) yes . . .
C40 C39 C44 114.8(4) yes . . .
C40 C39 B1 123.4(4) yes . . .
C44 C39 B1 121.1(4) yes . . .
C39 C40 C41 123.0(5) yes . . .
C40 C41 C42 120.4(5) yes . . .
C40 C41 C45 118.9(4) yes . . .
C42 C41 C45 120.6(4) yes . . .
C41 C42 C43 118.9(4) yes . . .
C42 C43 C44 120.0(5) yes . . .
C42 C43 C46 120.8(5) yes . . .
C44 C43 C46 119.2(5) yes . . .
C39 C44 C43 122.8(5) yes . . .
F7 C45 F8 106.7(4) yes . . .
F7 C45 F9 106.2(4) yes . . .
F7 C45 C41 112.0(4) yes . . .
F8 C45 F9 107.0(4) yes . . .
F8 C45 C41 111.7(4) yes . . .
F9 C45 C41 112.7(4) yes . . .
F10 C46 F11 106.0(5) yes . . .
F10 C46 F12 106.6(5) yes . . .
F10 C46 C43 113.2(4) yes . . .
F11 C46 F12 105.6(5) yes . . .
F11 C46 C43 111.3(5) yes . . .
F12 C46 C43 113.5(5) yes . . .
C48 C47 C52 114.8(4) yes . . .
C48 C47 B1 125.7(4) yes . . .
C52 C47 B1 119.5(4) yes . . .
C47 C48 C49 122.9(4) yes . . .
C48 C49 C50 120.7(4) yes . . .
C48 C49 C53 119.3(4) yes . . .
C50 C49 C53 120.0(4) yes . . .
C49 C50 C51 117.7(5) yes . . .
C50 C51 C52 121.1(4) yes . . .
C50 C51 C54 117.9(5) yes . . .
C52 C51 C54 121.0(4) yes . . .
C47 C52 C51 122.7(4) yes . . .
F13 C53 F14 106.8(4) yes . . .
F13 C53 F15 108.1(4) yes . . .
F13 C53 C49 112.5(5) yes . . .
F14 C53 F15 105.4(5) yes . . .
F14 C53 C49 110.8(4) yes . . .
F15 C53 C49 112.9(4) yes . . .
F16 C54 F17 105.5(5) yes . . .
F16 C54 F18 106.1(4) yes . . .
F16 C54 C51 112.2(5) yes . . .
F17 C54 F18 107.0(4) yes . . .
F17 C54 C51 112.5(4) yes . . .
F18 C54 C51 113.0(4) yes . . .
C56 C55 C60 114.8(5) yes . . .
C56 C55 B1 120.5(4) yes . . .
C60 C55 B1 124.7(4) yes . . .
C55 C56 C57 124.0(4) yes . . .
C56 C57 C58 119.7(5) yes . . .
C56 C57 C61 119.3(4) yes . . .
C58 C57 C61 121.1(5) yes . . .
C57 C58 C59 118.5(5) yes . . .
C58 C59 C60 121.9(5) yes . . .
C58 C59 C62 120.6(5) yes . . .
C60 C59 C62 117.5(5) yes . . .
C55 C60 C59 121.0(5) yes . . .
F19 C61 F20 105.3(4) yes . . .
F19 C61 F21 106.7(5) yes . . .
F19 C61 C57 110.9(5) yes . . .
F20 C61 F21 106.8(5) yes . . .
F20 C61 C57 112.3(5) yes . . .
F21 C61 C57 114.2(4) yes . . .
F22 C62 F23 120.3(6) yes . . .
F22 C62 F24 97.9(6) yes . . .
F22 C62 F25 41.2(5) yes . . .
F22 C62 F26 65.1(7) yes . . .
F22 C62 C59 115.4(6) yes . . .
F23 C62 F24 95.1(5) yes . . .
F23 C62 F25 91.5(6) yes . . .
F23 C62 F26 120.8(7) yes . . .
F23 C62 C59 112.8(5) yes . . .
F24 C62 F25 132.9(6) yes . . .
F24 C62 F26 34.7(6) yes . . .
F24 C62 C59 111.7(5) yes . . .
F25 C62 F26 104.9(8) yes . . .
F25 C62 C59 108.3(5) yes . . .
F26 C62 C59 114.7(7) yes . . .
C31 B1 C39 103.8(4) yes . . .
C31 B1 C47 109.7(4) yes . . .
C31 B1 C55 114.2(4) yes . . .
C39 B1 C47 113.1(4) yes . . .
C39 B1 C55 109.6(4) yes . . .
C47 B1 C55 106.7(4) yes . . .
Ru1 C1 H1A 116.725 no . . .
Ru1 C1 H1B 116.737 no . . .
C2 C1 H1A 116.723 no . . .
C2 C1 H1B 116.736 no . . .
H1A C1 H1B 113.741 no . . .
Ru1 C3 H3 109.939 no . . .
C2 C3 H3 109.936 no . . .
C10 C3 H3 109.933 no . . .
C4 C5 H5 119.962 no . . .
C6 C5 H5 119.975 no . . .
C5 C6 H6 119.606 no . . .
C7 C6 H6 119.618 no . . .
C6 C7 H7 120.260 no . . .
C8 C7 H7 120.257 no . . .
C7 C8 H8 119.993 no . . .
C9 C8 H8 119.987 no . . .
C4 C9 H9 119.516 no . . .
C8 C9 H9 119.521 no . . .
C10 C11 H11 120.494 no . . .
C12 C11 H11 120.494 no . . .
C11 C12 H12 119.503 no . . .
C13 C12 H12 119.515 no . . .
C12 C13 H13 120.110 no . . .
C14 C13 H13 120.091 no . . .
C13 C14 H14 119.752 no . . .
C15 C14 H14 119.756 no . . .
C10 C15 H15 119.840 no . . .
C14 C15 H15 119.828 no . . .
C16 C22 H22A 111(3) no . . .
C16 C22 H22B 110(3) no . . .
C16 C22 H22C 107(7) no . . .
H22A C22 H22B 105(4) no . . .
H22A C22 H22C 104(7) no . . .
H22B C22 H22C 119(8) no . . .
C17 C23 H23A 109.475 no . . .
C17 C23 H23B 109.473 no . . .
C17 C23 H23C 109.474 no . . .
H23A C23 H23B 109.467 no . . .
H23A C23 H23C 109.467 no . . .
H23B C23 H23C 109.471 no . . .
C18 C24 H24A 109.479 no . . .
C18 C24 H24B 109.475 no . . .
C18 C24 H24C 109.469 no . . .
H24A C24 H24B 109.465 no . . .
H24A C24 H24C 109.481 no . . .
H24B C24 H24C 109.458 no . . .
C19 C25 H25A 109.469 no . . .
C19 C25 H25B 109.466 no . . .
C19 C25 H25C 109.461 no . . .
H25A C25 H25B 109.482 no . . .
H25A C25 H25C 109.477 no . . .
H25B C25 H25C 109.472 no . . .
C20 C26 H26A 109.472 no . . .
C20 C26 H26B 109.465 no . . .
C20 C26 H26C 109.462 no . . .
H26A C26 H26B 109.481 no . . .
H26A C26 H26C 109.477 no . . .
H26B C26 H26C 109.470 no . . .
C21 C27 H27A 109.469 no . . .
C21 C27 H27B 109.468 no . . .
C21 C27 H27C 109.467 no . . .
H27A C27 H27B 109.477 no . . .
H27A C27 H27C 109.477 no . . .
H27B C27 H27C 109.471 no . . .
P1 C28 H28A 109.475 no . . .
P1 C28 H28B 109.473 no . . .
P1 C28 H28C 109.472 no . . .
H28A C28 H28B 109.474 no . . .
H28A C28 H28C 109.471 no . . .
H28B C28 H28C 109.463 no . . .
P1 C29 H29A 109.470 no . . .
P1 C29 H29B 109.464 no . . .
P1 C29 H29C 109.479 no . . .
H29A C29 H29B 109.472 no . . .
H29A C29 H29C 109.468 no . . .
H29B C29 H29C 109.475 no . . .
P1 C30 H30A 109.470 no . . .
P1 C30 H30B 109.474 no . . .
P1 C30 H30C 109.469 no . . .
H30A C30 H30B 109.467 no . . .
H30A C30 H30C 109.468 no . . .
H30B C30 H30C 109.478 no . . .
C31 C32 H32 119.061 no . . .
C33 C32 H32 119.069 no . . .
C33 C34 H34 121.268 no . . .
C35 C34 H34 121.262 no . . .
C31 C36 H36 118.725 no . . .
C35 C36 H36 118.707 no . . .
C39 C40 H40 118.490 no . . .
C41 C40 H40 118.477 no . . .
C41 C42 H42 120.555 no . . .
C43 C42 H42 120.558 no . . .
C39 C44 H44 118.624 no . . .
C43 C44 H44 118.615 no . . .
C47 C48 H48 118.556 no . . .
C49 C48 H48 118.554 no . . .
C49 C50 H50 121.155 no . . .
C51 C50 H50 121.158 no . . .
C47 C52 H52 118.639 no . . .
C51 C52 H52 118.652 no . . .
C55 C56 H56 117.981 no . . .
C57 C56 H56 117.972 no . . .
C57 C58 H58 120.749 no . . .
C59 C58 H58 120.738 no . . .
C55 C60 H60 119.511 no . . .
C59 C60 H60 119.519 no . . .

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_publ_flag
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
P1 Ru1 C1 C2 -129.83(18) no . . . .
C1 Ru1 P1 C28 35.42(13) no . . . .
C1 Ru1 P1 C29 159.72(13) no . . . .
C1 Ru1 P1 C30 -81.89(13) no . . . .
P1 Ru1 C2 C1 52.06(19) no . . . .
P1 Ru1 C2 C3 -73.96(16) no . . . .
P1 Ru1 C2 C4 168.0(3) no . . . .
C2 Ru1 P1 C28 5.36(15) no . . . .
C2 Ru1 P1 C29 129.67(14) no . . . .
C2 Ru1 P1 C30 -111.94(14) no . . . .
P1 Ru1 C3 C2 112.32(15) no . . . .
P1 Ru1 C3 C10 -6.3(4) no . . . .
C3 Ru1 P1 C28 -32.21(15) no . . . .
C3 Ru1 P1 C29 92.09(15) no . . . .
C3 Ru1 P1 C30 -149.52(15) no . . . .
P1 Ru1 C16 C17 155.99(10) no . . . .
P1 Ru1 C16 C21 27.8(4) no . . . .
P1 Ru1 C16 C22 -85.7(4) no . . . .
C16 Ru1 P1 C28 131.5(2) no . . . .
C16 Ru1 P1 C29 -104.2(2) no . . . .
C16 Ru1 P1 C30 14.2(3) no . . . .
P1 Ru1 C18 C17 -154.37(11) no . . . .
P1 Ru1 C18 C19 -25.6(3) no . . . .
P1 Ru1 C18 C24 87.9(5) no . . . .
C18 Ru1 P1 C28 -130.53(18) no . . . .
C18 Ru1 P1 C29 -6.22(19) no . . . .
C18 Ru1 P1 C30 112.17(18) no . . . .
P1 Ru1 C19 C18 161.90(16) no . . . .
P1 Ru1 C19 C20 -70.8(2) no . . . .
P1 Ru1 C19 C25 48.6(4) no . . . .
C19 Ru1 P1 C28 -145.69(15) no . . . .
C19 Ru1 P1 C29 -21.39(15) no . . . .
C19 Ru1 P1 C30 97.00(15) no . . . .
P1 Ru1 C20 C19 111.8(2) no . . . .
P1 Ru1 C20 C21 -112.30(18) no . . . .
P1 Ru1 C20 C26 0.2(5) no . . . .
C20 Ru1 P1 C28 -179.49(15) no . . . .
C20 Ru1 P1 C29 -55.19(14) no . . . .
C20 Ru1 P1 C30 63.20(14) no . . . .
P1 Ru1 C21 C16 -159.95(16) no . . . .
P1 Ru1 C21 C20 70.22(18) no . . . .
P1 Ru1 C21 C27 -50.2(5) no . . . .
C21 Ru1 P1 C28 147.70(16) no . . . .
C21 Ru1 P1 C29 -87.99(15) no . . . .
C21 Ru1 P1 C30 30.39(15) no . . . .
C1 Ru1 C2 C1 0.0(2) no . . . .
C1 Ru1 C2 C3 -126.0(4) no . . . .
C1 Ru1 C2 C4 115.9(5) no . . . .
C2 Ru1 C1 C2 0.0(2) no . . . .
C1 Ru1 C3 C2 33.07(18) no . . . .
C1 Ru1 C3 C10 -85.5(4) no . . . .
C3 Ru1 C1 C2 -33.47(18) no . . . .
C1 Ru1 C16 C17 -116.4(3) no . . . .
C1 Ru1 C16 C21 115.5(2) no . . . .
C1 Ru1 C16 C22 1.9(4) no . . . .
C16 Ru1 C1 C2 97.0(2) no . . . .
C1 Ru1 C17 C16 74.2(3) no . . . .
C1 Ru1 C17 C18 -149.76(18) no . . . .
C1 Ru1 C17 C23 -38.2(6) no . . . .
C17 Ru1 C1 C2 62.5(3) no . . . .
C1 Ru1 C18 C17 48.6(4) no . . . .
C1 Ru1 C18 C19 177.4(2) no . . . .
C1 Ru1 C18 C24 -69.1(6) no . . . .
C18 Ru1 C1 C2 33.9(4) no . . . .
C1 Ru1 C20 C19 -176.6(3) no . . . .
C1 Ru1 C20 C21 -40.7(4) no . . . .
C1 Ru1 C20 C26 71.7(6) no . . . .
C20 Ru1 C1 C2 156.4(3) no . . . .
C1 Ru1 C21 C16 -75.2(3) no . . . .
C1 Ru1 C21 C20 154.94(18) no . . . .
C1 Ru1 C21 C27 34.5(5) no . . . .
C21 Ru1 C1 C2 132.30(19) no . . . .
C2 Ru1 C3 C2 -0.00(19) no . . . .
C2 Ru1 C3 C10 -118.6(5) no . . . .
C3 Ru1 C2 C1 126.0(4) no . . . .
C3 Ru1 C2 C3 -0.00(19) no . . . .
C3 Ru1 C2 C4 -118.1(4) no . . . .
C2 Ru1 C16 C17 -76.8(3) no . . . .
C2 Ru1 C16 C21 155.1(2) no . . . .
C2 Ru1 C16 C22 41.6(4) no . . . .
C16 Ru1 C2 C1 -91.3(2) no . . . .
C16 Ru1 C2 C3 142.69(18) no . . . .
C16 Ru1 C2 C4 24.6(4) no . . . .
C2 Ru1 C17 C16 108.0(3) no . . . .
C2 Ru1 C17 C18 -115.9(2) no . . . .
C2 Ru1 C17 C23 -4.4(5) no . . . .
C17 Ru1 C2 C1 -125.6(2) no . . . .
C17 Ru1 C2 C3 108.38(19) no . . . .
C17 Ru1 C2 C4 -9.7(3) no . . . .
C2 Ru1 C18 C17 70.1(3) no . . . .
C2 Ru1 C18 C19 -161.09(19) no . . . .
C2 Ru1 C18 C24 -47.6(5) no . . . .
C18 Ru1 C2 C1 -158.97(19) no . . . .
C18 Ru1 C2 C3 75.0(3) no . . . .
C18 Ru1 C2 C4 -43.1(4) no . . . .
C2 Ru1 C19 C18 29.4(4) no . . . .
C2 Ru1 C19 C20 156.6(3) no . . . .
C2 Ru1 C19 C25 -83.9(5) no . . . .
C19 Ru1 C2 C1 -176.8(3) no . . . .
C19 Ru1 C2 C3 57.2(4) no . . . .
C19 Ru1 C2 C4 -60.9(5) no . . . .
C2 Ru1 C21 C16 -34.9(4) no . . . .
C2 Ru1 C21 C20 -164.77(17) no . . . .
C2 Ru1 C21 C27 74.8(5) no . . . .
C21 Ru1 C2 C1 -71.1(3) no . . . .
C21 Ru1 C2 C3 162.85(18) no . . . .
C21 Ru1 C2 C4 44.8(4) no . . . .
C3 Ru1 C16 C17 -45.9(4) no . . . .
C3 Ru1 C16 C21 -174.10(18) no . . . .
C3 Ru1 C16 C22 72.4(4) no . . . .
C16 Ru1 C3 C2 -52.0(3) no . . . .
C16 Ru1 C3 C10 -170.6(3) no . . . .
C3 Ru1 C17 C16 146.3(3) no . . . .
C3 Ru1 C17 C18 -77.6(3) no . . . .
C3 Ru1 C17 C23 33.9(5) no . . . .
C17 Ru1 C3 C2 -77.4(3) no . . . .
C17 Ru1 C3 C10 164.0(4) no . . . .
C3 Ru1 C18 C17 108.0(3) no . . . .
C3 Ru1 C18 C19 -123.2(3) no . . . .
C3 Ru1 C18 C24 -9.7(5) no . . . .
C18 Ru1 C3 C2 -112.3(2) no . . . .
C18 Ru1 C3 C10 129.1(4) no . . . .
C3 Ru1 C19 C18 64.6(3) no . . . .
C3 Ru1 C19 C20 -168.1(2) no . . . .
C3 Ru1 C19 C25 -48.7(5) no . . . .
C19 Ru1 C3 C2 -144.93(19) no . . . .
C19 Ru1 C3 C10 96.5(4) no . . . .
C3 Ru1 C20 C19 20.6(5) no . . . .
C3 Ru1 C20 C21 156.5(3) no . . . .
C3 Ru1 C20 C26 -91.0(5) no . . . .
C20 Ru1 C3 C2 -157.9(3) no . . . .
C20 Ru1 C3 C10 83.5(5) no . . . .
C16 Ru1 C17 C16 0.0(3) no . . . .
C16 Ru1 C17 C18 136.1(4) no . . . .
C16 Ru1 C17 C23 -112.4(7) no . . . .
C17 Ru1 C16 C17 0.0(3) no . . . .
C17 Ru1 C16 C21 -128.1(5) no . . . .
C17 Ru1 C16 C22 118.3(5) no . . . .
C16 Ru1 C18 C17 -26.21(19) no . . . .
C16 Ru1 C18 C19 102.6(3) no . . . .
C16 Ru1 C18 C24 -143.9(5) no . . . .
C18 Ru1 C16 C17 26.5(2) no . . . .
C18 Ru1 C16 C21 -101.6(3) no . . . .
C18 Ru1 C16 C22 144.8(4) no . . . .
C16 Ru1 C19 C18 -65.3(2) no . . . .
C16 Ru1 C19 C20 62.0(3) no . . . .
C16 Ru1 C19 C25 -178.5(4) no . . . .
C19 Ru1 C16 C17 63.1(3) no . . . .
C19 Ru1 C16 C21 -65.1(3) no . . . .
C19 Ru1 C16 C22 -178.6(4) no . . . .
C16 Ru1 C20 C19 -105.7(3) no . . . .
C16 Ru1 C20 C21 30.24(19) no . . . .
C16 Ru1 C20 C26 142.7(5) no . . . .
C20 Ru1 C16 C17 98.6(3) no . . . .
C20 Ru1 C16 C21 -29.58(19) no . . . .
C20 Ru1 C16 C22 -143.1(4) no . . . .
C16 Ru1 C21 C16 -0.0(3) no . . . .
C16 Ru1 C21 C20 -129.8(4) no . . . .
C16 Ru1 C21 C27 109.8(6) no . . . .
C21 Ru1 C16 C17 128.1(5) no . . . .
C21 Ru1 C16 C21 0.0(3) no . . . .
C21 Ru1 C16 C22 -113.5(5) no . . . .
C17 Ru1 C18 C17 -0.0(2) no . . . .
C17 Ru1 C18 C19 128.8(4) no . . . .
C17 Ru1 C18 C24 -117.7(6) no . . . .
C18 Ru1 C17 C16 -136.1(4) no . . . .
C18 Ru1 C17 C18 0.0(2) no . . . .
C18 Ru1 C17 C23 111.5(6) no . . . .
C17 Ru1 C19 C18 -30.35(18) no . . . .
C17 Ru1 C19 C20 96.9(3) no . . . .
C17 Ru1 C19 C25 -143.6(5) no . . . .
C19 Ru1 C17 C16 -105.1(3) no . . . .
C19 Ru1 C17 C18 31.01(19) no . . . .
C19 Ru1 C17 C23 142.5(6) no . . . .
C17 Ru1 C20 C19 -69.0(3) no . . . .
C17 Ru1 C20 C21 66.9(3) no . . . .
C17 Ru1 C20 C26 179.4(5) no . . . .
C20 Ru1 C17 C16 -67.5(3) no . . . .
C20 Ru1 C17 C18 68.6(2) no . . . .
C20 Ru1 C17 C23 -179.9(6) no . . . .
C17 Ru1 C21 C16 30.6(2) no . . . .
C17 Ru1 C21 C20 -99.2(3) no . . . .
C17 Ru1 C21 C27 140.4(5) no . . . .
C21 Ru1 C17 C16 -31.1(2) no . . . .
C21 Ru1 C17 C18 104.9(3) no . . . .
C21 Ru1 C17 C23 -143.5(6) no . . . .
C18 Ru1 C19 C18 0.0(2) no . . . .
C18 Ru1 C19 C20 127.3(4) no . . . .
C18 Ru1 C19 C25 -113.3(5) no . . . .
C19 Ru1 C18 C17 -128.8(4) no . . . .
C19 Ru1 C18 C19 0.0(3) no . . . .
C19 Ru1 C18 C24 113.5(6) no . . . .
C18 Ru1 C20 C19 -31.8(2) no . . . .
C18 Ru1 C20 C21 104.1(3) no . . . .
C18 Ru1 C20 C26 -143.4(6) no . . . .
C20 Ru1 C18 C17 -97.4(3) no . . . .
C20 Ru1 C18 C19 31.4(2) no . . . .
C20 Ru1 C18 C24 144.9(5) no . . . .
C18 Ru1 C21 C16 66.1(3) no . . . .
C18 Ru1 C21 C20 -63.7(3) no . . . .
C18 Ru1 C21 C27 175.9(5) no . . . .
C21 Ru1 C18 C17 -62.4(2) no . . . .
C21 Ru1 C18 C19 66.4(2) no . . . .
C21 Ru1 C18 C24 179.9(5) no . . . .
C19 Ru1 C20 C19 -0.0(3) no . . . .
C19 Ru1 C20 C21 135.9(4) no . . . .
C19 Ru1 C20 C26 -111.6(6) no . . . .
C20 Ru1 C19 C18 -127.3(4) no . . . .
C20 Ru1 C19 C20 -0.0(3) no . . . .
C20 Ru1 C19 C25 119.5(6) no . . . .
C19 Ru1 C21 C16 103.0(3) no . . . .
C19 Ru1 C21 C20 -26.79(19) no . . . .
C19 Ru1 C21 C27 -147.2(5) no . . . .
C21 Ru1 C19 C18 -101.1(3) no . . . .
C21 Ru1 C19 C20 26.1(2) no . . . .
C21 Ru1 C19 C25 145.6(5) no . . . .
C20 Ru1 C21 C16 129.8(4) no . . . .
C20 Ru1 C21 C20 -0.0(2) no . . . .
C20 Ru1 C21 C27 -120.4(6) no . . . .
C21 Ru1 C20 C19 -135.9(4) no . . . .
C21 Ru1 C20 C21 -0.0(2) no . . . .
C21 Ru1 C20 C26 112.5(6) no . . . .
F25 F22 F26 F24 17(3) no . . . .
F25 F22 F26 C62 -20.2(10) no . . . .
F26 F22 F25 C62 16.6(8) no . . . .
F25 F22 C62 F23 51.5(8) no . . . .
F25 F22 C62 F24 152.2(7) no . . . .
F25 F22 C62 F25 -0.0(5) no . . . .
F25 F22 C62 F26 164.0(7) no . . . .
F25 F22 C62 C59 -89.1(7) no . . . .
C62 F22 F25 C62 0.0(3) no . . . .
F26 F22 C62 F23 -112.5(8) no . . . .
F26 F22 C62 F24 -11.8(6) no . . . .
F26 F22 C62 F25 -164.0(7) no . . . .
F26 F22 C62 F26 0.0(5) no . . . .
F26 F22 C62 C59 106.8(7) no . . . .
C62 F22 F26 F24 37.6(15) no . . . .
C62 F22 F26 C62 0.0(3) no . . . .
F26 F24 C62 F22 19.0(9) no . . . .
F26 F24 C62 F23 140.6(10) no . . . .
F26 F24 C62 F25 43.7(11) no . . . .
F26 F24 C62 F26 -0.0(8) no . . . .
F26 F24 C62 C59 -102.4(10) no . . . .
C62 F24 F26 F22 -32.1(13) no . . . .
C62 F24 F26 C62 -0.0(3) no . . . .
F22 F25 C62 F22 -0.0(5) no . . . .
F22 F25 C62 F23 -137.5(7) no . . . .
F22 F25 C62 F24 -39.0(9) no . . . .
F22 F25 C62 F26 -15.0(7) no . . . .
F22 F25 C62 C59 107.9(7) no . . . .
F22 F26 C62 F22 0.0(3) no . . . .
F22 F26 C62 F23 111.8(7) no . . . .
F22 F26 C62 F24 159.2(9) no . . . .
F22 F26 C62 F25 10.8(5) no . . . .
F22 F26 C62 C59 -107.8(7) no . . . .
F24 F26 C62 F22 -159.2(10) no . . . .
F24 F26 C62 F23 -47.4(11) no . . . .
F24 F26 C62 F24 0.0(4) no . . . .
F24 F26 C62 F25 -148.4(8) no . . . .
F24 F26 C62 C59 93.0(9) no . . . .
Ru1 C1 C2 Ru1 0.000(12) no . . . .
Ru1 C1 C2 C3 57.3(3) no . . . .
Ru1 C1 C2 C4 -119.6(4) no . . . .
Ru1 C2 C3 Ru1 0.000(11) no . . . .
Ru1 C2 C3 C10 121.9(4) no . . . .
Ru1 C2 C4 C5 -84.2(5) no . . . .
Ru1 C2 C4 C9 102.8(4) no . . . .
C1 C2 C3 Ru1 -58.1(4) no . . . .
C1 C2 C3 C10 63.8(6) no . . . .
C1 C2 C4 C5 4.2(7) no . . . .
C1 C2 C4 C9 -168.7(4) no . . . .
C3 C2 C4 C5 -172.3(4) no . . . .
C3 C2 C4 C9 14.7(7) no . . . .
C4 C2 C3 Ru1 118.7(5) no . . . .
C4 C2 C3 C10 -119.4(5) no . . . .
Ru1 C3 C10 C11 112.7(4) no . . . .
Ru1 C3 C10 C15 -72.1(5) no . . . .
C2 C3 C10 C11 22.7(6) no . . . .
C2 C3 C10 C15 -162.1(4) no . . . .
C2 C4 C5 C6 -177.4(4) no . . . .
C2 C4 C9 C8 177.9(4) no . . . .
C5 C4 C9 C8 4.7(7) no . . . .
C9 C4 C5 C6 -4.4(7) no . . . .
C4 C5 C6 C7 0.7(8) no . . . .
C5 C6 C7 C8 2.8(8) no . . . .
C6 C7 C8 C9 -2.6(8) no . . . .
C7 C8 C9 C4 -1.2(8) no . . . .
C3 C10 C11 C12 176.4(4) no . . . .
C3 C10 C15 C14 -177.6(4) no . . . .
C11 C10 C15 C14 -2.4(6) no . . . .
C15 C10 C11 C12 1.2(6) no . . . .
C10 C11 C12 C13 -0.2(7) no . . . .
C11 C12 C13 C14 0.4(7) no . . . .
C12 C13 C14 C15 -1.6(8) no . . . .
C13 C14 C15 C10 2.7(7) no . . . .
Ru1 C16 C17 Ru1 0.000(11) no . . . .
Ru1 C16 C17 C18 -48.4(4) no . . . .
Ru1 C16 C17 C23 137.1(4) no . . . .
Ru1 C16 C21 Ru1 -0.0 no . . . .
Ru1 C16 C21 C20 57.7(4) no . . . .
Ru1 C16 C21 C27 -128.5(4) no . . . .
C17 C16 C21 Ru1 -61.1(5) no . . . .
C17 C16 C21 C20 -3.3(7) no . . . .
C17 C16 C21 C27 170.5(4) no . . . .
C21 C16 C17 Ru1 60.2(5) no . . . .
C21 C16 C17 C18 11.8(8) no . . . .
C21 C16 C17 C23 -162.7(5) no . . . .
C22 C16 C17 Ru1 -129.1(6) no . . . .
C22 C16 C17 C18 -177.4(5) no . . . .
C22 C16 C17 C23 8.0(8) no . . . .
C22 C16 C21 Ru1 128.0(5) no . . . .
C22 C16 C21 C20 -174.3(5) no . . . .
C22 C16 C21 C27 -0.5(7) no . . . .
Ru1 C17 C18 Ru1 -0.000(16) no . . . .
Ru1 C17 C18 C19 -58.4(4) no . . . .
Ru1 C17 C18 C24 127.3(4) no . . . .
C16 C17 C18 Ru1 48.8(5) no . . . .
C16 C17 C18 C19 -9.6(8) no . . . .
C16 C17 C18 C24 176.1(5) no . . . .
C23 C17 C18 Ru1 -136.6(5) no . . . .
C23 C17 C18 C19 164.9(5) no . . . .
C23 C17 C18 C24 -9.3(7) no . . . .
Ru1 C18 C19 Ru1 0.000(10) no . . . .
Ru1 C18 C19 C20 -61.5(4) no . . . .
Ru1 C18 C19 C25 129.1(5) no . . . .
C17 C18 C19 Ru1 60.4(5) no . . . .
C17 C18 C19 C20 -1.0(8) no . . . .
C17 C18 C19 C25 -170.4(5) no . . . .
C24 C18 C19 Ru1 -125.3(5) no . . . .
C24 C18 C19 C20 173.3(5) no . . . .
C24 C18 C19 C25 3.9(8) no . . . .
Ru1 C19 C20 Ru1 0.000(11) no . . . .
Ru1 C19 C20 C21 -50.0(4) no . . . .
Ru1 C19 C20 C26 134.9(4) no . . . .
C18 C19 C20 Ru1 59.6(5) no . . . .
C18 C19 C20 C21 9.6(8) no . . . .
C18 C19 C20 C26 -165.5(5) no . . . .
C25 C19 C20 Ru1 -131.3(6) no . . . .
C25 C19 C20 C21 178.7(5) no . . . .
C25 C19 C20 C26 3.6(8) no . . . .
Ru1 C20 C21 Ru1 -0.0 no . . . .
Ru1 C20 C21 C16 -56.2(4) no . . . .
Ru1 C20 C21 C27 130.3(5) no . . . .
C19 C20 C21 Ru1 48.8(5) no . . . .
C19 C20 C21 C16 -7.4(8) no . . . .
C19 C20 C21 C27 179.2(5) no . . . .
C26 C20 C21 Ru1 -136.0(5) no . . . .
C26 C20 C21 C16 167.7(5) no . . . .
C26 C20 C21 C27 -5.7(8) no . . . .
C32 C31 C36 C35 -2.6(6) no . . . .
C36 C31 C32 C33 1.5(6) no . . . .
C32 C31 B1 C39 -73.5(5) no . . . .
C32 C31 B1 C47 165.4(4) no . . . .
C32 C31 B1 C55 45.8(6) no . . . .
B1 C31 C32 C33 176.5(4) no . . . .
C36 C31 B1 C39 101.1(5) no . . . .
C36 C31 B1 C47 -20.0(6) no . . . .
C36 C31 B1 C55 -139.6(4) no . . . .
B1 C31 C36 C35 -177.6(4) no . . . .
C31 C32 C33 C34 0.7(7) no . . . .
C31 C32 C33 C37 179.8(4) no . . . .
C32 C33 C34 C35 -1.9(6) no . . . .
C32 C33 C37 F1 171.6(4) no . . . .
C32 C33 C37 F2 -66.9(5) no . . . .
C32 C33 C37 F3 52.6(6) no . . . .
C34 C33 C37 F1 -9.3(6) no . . . .
C34 C33 C37 F2 112.2(5) no . . . .
C34 C33 C37 F3 -128.4(5) no . . . .
C37 C33 C34 C35 179.1(4) no . . . .
C33 C34 C35 C36 0.8(6) no . . . .
C33 C34 C35 C38 -179.2(4) no . . . .
C34 C35 C36 C31 1.6(7) no . . . .
C34 C35 C38 F4 -21.8(6) no . . . .
C34 C35 C38 F5 -143.3(4) no . . . .
C34 C35 C38 F6 98.1(5) no . . . .
C36 C35 C38 F4 158.2(4) no . . . .
C36 C35 C38 F5 36.7(6) no . . . .
C36 C35 C38 F6 -81.9(5) no . . . .
C38 C35 C36 C31 -178.5(4) no . . . .
C40 C39 C44 C43 0.5(6) no . . . .
C44 C39 C40 C41 -0.3(6) no . . . .
C40 C39 B1 C31 101.0(5) no . . . .
C40 C39 B1 C47 -140.2(4) no . . . .
C40 C39 B1 C55 -21.4(5) no . . . .
B1 C39 C40 C41 -171.7(4) no . . . .
C44 C39 B1 C31 -69.9(5) no . . . .
C44 C39 B1 C47 48.9(6) no . . . .
C44 C39 B1 C55 167.8(4) no . . . .
B1 C39 C44 C43 172.1(4) no . . . .
C39 C40 C41 C42 0.3(6) no . . . .
C39 C40 C41 C45 178.7(4) no . . . .
C40 C41 C42 C43 -0.6(6) no . . . .
C40 C41 C45 F7 39.8(5) no . . . .
C40 C41 C45 F8 -79.9(5) no . . . .
C40 C41 C45 F9 159.6(4) no . . . .
C42 C41 C45 F7 -141.8(4) no . . . .
C42 C41 C45 F8 98.5(5) no . . . .
C42 C41 C45 F9 -22.0(6) no . . . .
C45 C41 C42 C43 -179.0(4) no . . . .
C41 C42 C43 C44 0.8(6) no . . . .
C41 C42 C43 C46 -179.5(4) no . . . .
C42 C43 C44 C39 -0.8(6) no . . . .
C42 C43 C46 F10 -130.9(5) no . . . .
C42 C43 C46 F11 109.8(5) no . . . .
C42 C43 C46 F12 -9.2(6) no . . . .
C44 C43 C46 F10 48.8(6) no . . . .
C44 C43 C46 F11 -70.5(6) no . . . .
C44 C43 C46 F12 170.5(4) no . . . .
C46 C43 C44 C39 179.5(4) no . . . .
C48 C47 C52 C51 -3.8(7) no . . . .
C52 C47 C48 C49 2.4(7) no . . . .
C48 C47 B1 C31 131.9(5) no . . . .
C48 C47 B1 C39 16.6(7) no . . . .
C48 C47 B1 C55 -103.9(5) no . . . .
B1 C47 C48 C49 -178.4(4) no . . . .
C52 C47 B1 C31 -48.8(6) no . . . .
C52 C47 B1 C39 -164.1(4) no . . . .
C52 C47 B1 C55 75.3(5) no . . . .
B1 C47 C52 C51 176.8(4) no . . . .
C47 C48 C49 C50 0.1(7) no . . . .
C47 C48 C49 C53 178.8(4) no . . . .
C48 C49 C50 C51 -1.2(7) no . . . .
C48 C49 C53 F13 66.3(6) no . . . .
C48 C49 C53 F14 -53.2(6) no . . . .
C48 C49 C53 F15 -171.1(4) no . . . .
C50 C49 C53 F13 -115.0(5) no . . . .
C50 C49 C53 F14 125.6(5) no . . . .
C50 C49 C53 F15 7.7(7) no . . . .
C53 C49 C50 C51 -179.9(4) no . . . .
C49 C50 C51 C52 -0.3(7) no . . . .
C49 C50 C51 C54 178.6(4) no . . . .
C50 C51 C52 C47 2.9(7) no . . . .
C50 C51 C54 F16 -66.7(6) no . . . .
C50 C51 C54 F17 52.1(6) no . . . .
C50 C51 C54 F18 173.4(4) no . . . .
C52 C51 C54 F16 112.2(5) no . . . .
C52 C51 C54 F17 -129.0(5) no . . . .
C52 C51 C54 F18 -7.7(7) no . . . .
C54 C51 C52 C47 -175.9(4) no . . . .
C56 C55 C60 C59 2.7(7) no . . . .
C60 C55 C56 C57 -4.4(7) no . . . .
C56 C55 B1 C31 -167.5(4) no . . . .
C56 C55 B1 C39 -51.6(6) no . . . .
C56 C55 B1 C47 71.2(5) no . . . .
B1 C55 C56 C57 177.9(4) no . . . .
C60 C55 B1 C31 15.0(7) no . . . .
C60 C55 B1 C39 131.0(5) no . . . .
C60 C55 B1 C47 -106.3(5) no . . . .
B1 C55 C60 C59 -179.7(4) no . . . .
C55 C56 C57 C58 2.8(8) no . . . .
C55 C56 C57 C61 -176.8(4) no . . . .
C56 C57 C58 C59 0.7(8) no . . . .
C56 C57 C61 F19 68.8(6) no . . . .
C56 C57 C61 F20 -48.8(7) no . . . .
C56 C57 C61 F21 -170.6(5) no . . . .
C58 C57 C61 F19 -110.8(6) no . . . .
C58 C57 C61 F20 131.6(5) no . . . .
C58 C57 C61 F21 9.8(8) no . . . .
C61 C57 C58 C59 -179.7(5) no . . . .
C57 C58 C59 C60 -2.3(8) no . . . .
C57 C58 C59 C62 176.7(5) no . . . .
C58 C59 C60 C55 0.5(8) no . . . .
C58 C59 C62 F22 28.4(8) no . . . .
C58 C59 C62 F23 -115.2(6) no . . . .
C58 C59 C62 F24 139.1(5) no . . . .
C58 C59 C62 F25 -15.5(7) no . . . .
C58 C59 C62 F26 101.3(7) no . . . .
C60 C59 C62 F22 -152.6(5) no . . . .
C60 C59 C62 F23 63.8(7) no . . . .
C60 C59 C62 F24 -41.9(7) no . . . .
C60 C59 C62 F25 163.6(5) no . . . .
C60 C59 C62 F26 -79.7(7) no . . . .
C62 C59 C60 C55 -178.5(4) no . . . .

loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_publ_flag
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
P1 C10 3.377(5) no . .
F1 C34 2.719(6) no . .
F2 C32 3.006(5) no . .
F2 C34 3.375(6) no . .
F3 C32 2.880(6) no . .
F3 C34 3.479(6) no . .
F4 C34 2.781(6) no . .
F5 C34 3.577(6) no . .
F5 C36 2.785(7) no . .
F6 C34 3.292(6) no . .
F6 C36 3.129(6) no . .
F7 C40 2.807(6) no . .
F7 C42 3.555(6) no . .
F8 C40 3.103(6) no . .
F8 C42 3.269(6) no . .
F9 C42 2.759(6) no . .
F10 C42 3.486(7) no . .
F10 C44 2.879(6) no . .
F11 C42 3.337(7) no . .
F11 C44 3.016(6) no . .
F12 C42 2.734(6) no . .
F13 C48 3.003(5) no . .
F13 C50 3.395(6) no . .
F14 C48 2.883(5) no . .
F14 C50 3.459(6) no . .
F15 C50 2.726(5) no . .
F16 C50 2.980(6) no . .
F16 C52 3.379(7) no . .
F17 C50 2.870(6) no . .
F17 C52 3.487(6) no . .
F18 C52 2.738(6) no . .
F19 C56 3.000(6) no . .
F19 C58 3.364(6) no . .
F20 C56 2.875(6) no . .
F20 C58 3.521(6) no . .
F21 C58 2.765(7) no . .
F22 C58 2.833(8) no . .
F22 C60 3.582(9) no . .
F23 C58 3.371(7) no . .
F23 C60 2.946(6) no . .
F24 C60 2.856(7) no . .
F25 C58 2.694(10) no . .
F26 C58 3.243(10) no . .
F26 C60 3.053(11) no . .
C1 C5 2.993(7) no . .
C1 C10 3.207(7) no . .
C1 C11 3.438(7) no . .
C1 C28 3.355(8) no . .
C2 C11 3.042(8) no . .
C3 C9 2.994(8) no . .
C3 C24 3.529(8) no . .
C4 C7 2.803(8) no . .
C4 C17 3.325(8) no . .
C4 C23 3.235(8) no . .
C5 C8 2.786(7) no . .
C5 C22 3.441(9) no . .
C5 C23 3.510(9) no . .
C6 C9 2.768(8) no . .
C9 C23 3.414(8) no . .
C10 C13 2.795(8) no . .
C10 C28 3.171(7) no . .
C11 C14 2.786(9) no . .
C11 C28 3.360(7) no . .
C12 C15 2.759(8) no . .
C15 C28 3.425(7) no . .
C22 C23 2.955(10) no . .
C22 C27 2.844(10) no . .
C23 C24 2.954(9) no . .
C24 C25 2.911(10) no . .
C25 C26 2.982(9) no . .
C25 C29 3.590(9) no . .
C26 C27 2.973(10) no . .
C26 C29 3.509(9) no . .
C26 C30 3.597(9) no . .
C27 C30 3.478(9) no . .
C31 C34 2.867(6) no . .
C31 C40 3.539(7) no . .
C31 C44 3.203(6) no . .
C31 C52 3.116(7) no . .
C31 C60 3.148(7) no . .
C32 C35 2.757(7) no . .
C32 C39 3.263(6) no . .
C32 C55 3.245(7) no . .
C32 C60 3.219(7) no . .
C33 C36 2.744(6) no . .
C36 C39 3.534(7) no . .
C36 C47 3.013(6) no . .
C36 C52 3.080(7) no . .
C39 C42 2.857(6) no . .
C39 C48 3.136(6) no . .
C39 C56 3.143(7) no . .
C40 C43 2.753(7) no . .
C40 C55 3.025(7) no . .
C40 C56 3.157(7) no . .
C41 C44 2.755(7) no . .
C44 C47 3.217(7) no . .
C44 C48 3.237(7) no . .
C47 C50 2.865(7) no . .
C47 C56 3.250(7) no . .
C48 C51 2.753(7) no . .
C49 C52 2.751(6) no . .
C52 C55 3.286(7) no . .
C55 C58 2.852(8) no . .
C56 C59 2.726(7) no . .
C57 C60 2.776(7) no . .
F1 F16 3.378(5) no . 1_655
F1 C27 3.203(6) no . 2_766
F1 C28 3.231(6) no . 1_655
F2 F16 3.486(5) no . 1_655
F2 F17 3.100(5) no . 1_655
F2 F23 2.898(5) no . 2_776
F2 C6 3.584(7) no . 1_665
F2 C27 3.509(7) no . 2_766
F3 F15 3.391(5) no . 1_655
F3 F16 3.530(5) no . 1_655
F3 C50 3.437(6) no . 1_655
F4 F4 3.085(5) no . 2_766
F4 F6 3.138(5) no . 2_766
F4 F22 3.578(8) no . 2_776
F4 F25 3.393(9) no . 2_776
F4 C11 3.408(6) no . 2_666
F4 C12 3.333(7) no . 2_666
F4 C34 3.409(6) no . 2_766
F4 C38 3.486(6) no . 2_766
F5 C28 3.569(7) no . 2_666
F6 F4 3.138(5) no . 2_766
F6 C26 3.579(7) no . .
F7 F19 3.017(5) no . 2_777
F7 C8 3.406(6) no . 1_665
F7 C8 3.519(7) no . 2_667
F7 C9 3.274(6) no . 2_667
F8 F12 3.123(5) no . 2_767
F8 F13 3.281(5) no . 1_655
F8 F15 2.830(4) no . 1_655
F8 F19 3.266(5) no . 2_777
F8 F21 3.303(6) no . 2_777
F8 C7 3.459(6) no . 1_665
F8 C53 3.598(6) no . 1_655
F9 F12 3.312(5) no . 2_767
F9 F21 3.252(6) no . 2_777
F9 C3 3.574(5) no . 2_667
F9 C10 3.310(5) no . 2_667
F9 C11 3.564(6) no . 2_667
F9 C15 3.578(6) no . 2_667
F10 C13 3.576(7) no . 1_655
F10 C26 3.177(9) no . .
F11 F14 2.952(5) no . 2_667
F11 C25 3.366(9) no . .
F12 F8 3.123(5) no . 2_767
F12 F9 3.312(5) no . 2_767
F12 F14 3.517(6) no . 2_667
F12 F15 3.589(5) no . 2_667
F12 C14 3.236(8) no . 2_667
F12 C15 3.382(7) no . 2_667
F13 F8 3.281(5) no . 1_455
F13 F19 3.530(5) no . 2_677
F13 F20 3.322(5) no . 2_677
F13 F21 3.431(5) no . 2_677
F13 C23 3.453(7) no . 1_565
F14 F11 2.952(5) no . 2_667
F14 F12 3.517(6) no . 2_667
F14 C25 3.528(8) no . 2_667
F14 C29 3.553(7) no . .
F15 F3 3.391(5) no . 1_455
F15 F8 2.830(4) no . 1_455
F15 F12 3.589(5) no . 2_667
F15 C7 3.595(7) no . 1_565
F15 C14 3.591(7) no . .
F16 F1 3.378(5) no . 1_455
F16 F2 3.486(5) no . 1_455
F16 F3 3.530(5) no . 1_455
F17 F2 3.100(5) no . 1_455
F17 F17 3.513(5) no . 2_676
F17 F18 3.179(5) no . 2_676
F17 C5 3.600(6) no . 1_565
F17 C6 3.449(6) no . 1_565
F17 C22 3.578(10) no . 1_565
F18 F17 3.179(5) no . 2_676
F19 F7 3.017(5) no . 2_777
F19 F8 3.266(5) no . 2_777
F19 F13 3.530(5) no . 2_677
F20 F13 3.322(5) no . 2_677
F20 C17 3.210(7) no . 1_565
F20 C18 3.201(7) no . 1_565
F20 C19 3.495(7) no . 1_565
F20 C23 3.558(8) no . 1_565
F21 F8 3.303(6) no . 2_777
F21 F9 3.252(6) no . 2_777
F21 F13 3.431(5) no . 2_677
F21 C19 3.591(7) no . 1_565
F21 C20 3.405(7) no . 1_565
F21 C26 3.404(8) no . 1_565
F22 F4 3.578(8) no . 2_776
F22 C4 3.507(9) no . 1_665
F22 C11 3.552(10) no . 1_665
F23 F2 2.898(5) no . 2_776
F23 C27 3.510(7) no . 1_565
F23 C33 3.212(6) no . 2_776
F23 C34 3.314(6) no . 2_776
F23 C37 3.435(7) no . 2_776
F24 C5 3.292(8) no . 1_665
F24 C6 3.423(8) no . 1_665
F25 F4 3.393(9) no . 2_776
F25 C27 3.546(11) no . 1_565
F25 C34 3.368(10) no . 2_776
F26 C4 3.334(12) no . 1_665
F26 C5 2.971(12) no . 1_665
F26 C6 3.348(12) no . 1_665
C3 F9 3.574(5) no . 2_667
C4 F22 3.507(9) no . 1_445
C4 F26 3.334(12) no . 1_445
C5 F17 3.600(6) no . 1_545
C5 F24 3.292(8) no . 1_445
C5 F26 2.971(12) no . 1_445
C6 F2 3.584(7) no . 1_445
C6 F17 3.449(6) no . 1_545
C6 F24 3.423(8) no . 1_445
C6 F26 3.348(12) no . 1_445
C7 F8 3.459(6) no . 1_445
C7 F15 3.595(7) no . 1_545
C8 F7 3.406(6) no . 1_445
C8 F7 3.519(7) no . 2_667
C9 F7 3.274(6) no . 2_667
C10 F9 3.310(5) no . 2_667
C11 F4 3.408(6) no . 2_666
C11 F9 3.564(6) no . 2_667
C11 F22 3.552(10) no . 1_445
C12 F4 3.333(7) no . 2_666
C13 F10 3.576(7) no . 1_455
C13 C33 3.597(7) no . 1_455
C14 F12 3.236(8) no . 2_667
C14 F15 3.591(7) no . .
C15 F9 3.578(6) no . 2_667
C15 F12 3.382(7) no . 2_667
C15 C42 3.513(6) no . 2_667
C17 F20 3.210(7) no . 1_545
C18 F20 3.201(7) no . 1_545
C19 F20 3.495(7) no . 1_545
C19 F21 3.591(7) no . 1_545
C20 F21 3.405(7) no . 1_545
C22 F17 3.578(10) no . 1_545
C22 C51 3.534(10) no . 1_545
C22 C52 3.597(9) no . 1_545
C23 F13 3.453(7) no . 1_545
C23 F20 3.558(8) no . 1_545
C25 F11 3.366(9) no . .
C25 F14 3.528(8) no . 2_667
C26 F6 3.579(7) no . .
C26 F10 3.177(9) no . .
C26 F21 3.404(8) no . 1_545
C27 F1 3.203(6) no . 2_766
C27 F2 3.509(7) no . 2_766
C27 F23 3.510(7) no . 1_545
C27 F25 3.546(11) no . 1_545
C28 F1 3.231(6) no . 1_455
C28 F5 3.569(7) no . 2_666
C29 F14 3.553(7) no . .
C33 F23 3.212(6) no . 2_776
C33 C13 3.597(7) no . 1_655
C34 F4 3.409(6) no . 2_766
C34 F23 3.314(6) no . 2_776
C34 F25 3.368(10) no . 2_776
C37 F23 3.435(7) no . 2_776
C38 F4 3.486(6) no . 2_766
C42 C15 3.513(6) no . 2_667
C50 F3 3.437(6) no . 1_455
C51 C22 3.534(10) no . 1_565
C52 C22 3.597(9) no . 1_565
C53 F8 3.598(6) no . 1_455
Ru1 H22C 3.60(11) no . .
Ru1 H24A 3.4439 no . .
Ru1 H25B 3.5170 no . .
Ru1 H27B 3.5916 no . .
Ru1 H29C 3.5518 no . .
Ru1 H30A 3.5953 no . .
Ru1 H30C 3.4773 no . .
P1 H1A 2.7369 no . .
P1 H15 3.5804 no . .
P1 H26A 3.2327 no . .
F1 H34 2.3986 no . .
F2 H32 2.8947 no . .
F2 H34 3.5389 no . .
F3 H32 2.6823 no . .
F4 H34 2.5055 no . .
F5 H36 2.5074 no . .
F6 H34 3.4108 no . .
F6 H36 3.0888 no . .
F7 H40 2.5347 no . .
F8 H40 3.0727 no . .
F8 H42 3.3816 no . .
F9 H42 2.4663 no . .
F10 H44 2.6723 no . .
F11 H42 3.5058 no . .
F11 H44 2.9389 no . .
F12 H42 2.4251 no . .
F13 H48 2.8849 no . .
F13 H50 3.5790 no . .
F14 H48 2.7019 no . .
F15 H50 2.4119 no . .
F16 H50 2.9048 no . .
F16 H52 3.5443 no . .
F17 H50 2.6971 no . .
F18 H52 2.3896 no . .
F19 H56 2.9126 no . .
F19 H58 3.5390 no . .
F20 H56 2.6322 no . .
F21 H58 2.4633 no . .
F22 H58 2.5712 no . .
F23 H58 3.5654 no . .
F23 H60 2.8323 no . .
F24 H60 2.5665 no . .
F25 H58 2.3581 no . .
F26 H58 3.3428 no . .
F26 H60 3.0134 no . .
C1 H3 3.2873 no . .
C1 H5 2.6719 no . .
C1 H22C 3.59(11) no . .
C1 H11 3.0804 no . .
C1 H28C 2.8656 no . .
C1 H30C 3.2575 no . .
C2 H5 2.7080 no . .
C2 H9 2.6355 no . .
C2 H11 2.7324 no . .
C2 H23B 3.4228 no . .
C3 H1A 2.7290 no . .
C3 H1B 3.3369 no . .
C3 H9 2.6402 no . .
C3 H11 2.6584 no . .
C3 H15 2.6653 no . .
C3 H24A 3.0818 no . .
C3 H28B 3.5185 no . .
C4 H1A 3.3143 no . .
C4 H1B 2.7032 no . .
C4 H3 2.6570 no . .
C4 H22B 3.28(6) no . .
C4 H6 3.2728 no . .
C4 H8 3.2820 no . .
C4 H11 3.5440 no . .
C4 H23B 2.5463 no . .
C4 H23C 3.5014 no . .
C5 H1B 2.6331 no . .
C5 H22B 2.65(6) no . .
C5 H7 3.2728 no . .
C5 H9 3.2684 no . .
C5 H23B 2.6165 no . .
C6 H22B 3.13(6) no . .
C6 H8 3.2609 no . .
C6 H23B 2.8612 no . .
C7 H5 3.2712 no . .
C7 H9 3.2588 no . .
C7 H23B 3.0458 no . .
C8 H6 3.2590 no . .
C8 H23B 3.0390 no . .
C8 H23C 3.5803 no . .
C9 H3 2.5974 no . .
C9 H5 3.2717 no . .
C9 H7 3.2617 no . .
C9 H23B 2.8071 no . .
C9 H23C 3.2983 no . .
C9 H24C 3.5788 no . .
C10 H1A 2.9955 no . .
C10 H9 3.5172 no . .
C10 H12 3.2673 no . .
C10 H14 3.2793 no . .
C10 H28B 2.6134 no . .
C10 H28C 3.2492 no . .
C11 H1A 2.9768 no . .
C11 H3 3.0805 no . .
C11 H13 3.2863 no . .
C11 H15 3.2650 no . .
C11 H28B 2.8027 no . .
C11 H28C 3.1279 no . .
C12 H14 3.2337 no . .
C12 H28B 2.9877 no . .
C13 H11 3.2841 no . .
C13 H15 3.2479 no . .
C13 H28B 3.0138 no . .
C14 H12 3.2306 no . .
C14 H28B 2.8328 no . .
C14 H29A 3.4241 no . .
C15 H3 2.7920 no . .
C15 H11 3.2712 no . .
C15 H13 3.2536 no . .
C15 H28B 2.6476 no . .
C15 H29A 2.9149 no . .
C16 H1B 3.3710 no . .
C16 H23A 2.7744 no . .
C16 H23B 2.7747 no . .
C16 H23C 3.3297 no . .
C16 H27A 3.0991 no . .
C16 H27B 3.1729 no . .
C16 H27C 2.5222 no . .
C17 H22A 3.07(5) no . .
C17 H3 3.4206 no . .
C17 H22B 2.68(6) no . .
C17 H22C 3.30(11) no . .
C17 H24A 3.2034 no . .
C17 H24B 3.1403 no . .
C17 H24C 2.5862 no . .
C18 H3 2.9829 no . .
C18 H23A 3.1366 no . .
C18 H23B 3.1950 no . .
C18 H23C 2.5749 no . .
C18 H25A 2.7699 no . .
C18 H25B 2.7774 no . .
C18 H25C 3.3354 no . .
C19 H24A 2.7788 no . .
C19 H24B 2.7806 no . .
C19 H24C 3.3383 no . .
C19 H26A 3.1996 no . .
C19 H26B 3.1444 no . .
C19 H26C 2.5793 no . .
C19 H29C 3.1371 no . .
C20 H25A 3.1339 no . .
C20 H25B 3.2435 no . .
C20 H25C 2.6157 no . .
C20 H27A 2.8297 no . .
C20 H27B 2.8282 no . .
C20 H27C 3.3573 no . .
C20 H29C 3.0551 no . .
C20 H30A 3.1346 no . .
C21 H22A 2.91(6) no . .
C21 H22B 3.45(6) no . .
C21 H22C 2.61(12) no . .
C21 H26A 2.7526 no . .
C21 H26B 2.7558 no . .
C21 H26C 3.3174 no . .
C21 H30A 3.2013 no . .
C21 H30C 3.5588 no . .
C22 H1B 3.3418 no . .
C22 H5 3.0754 no . .
C22 H23A 2.9321 no . .
C22 H23B 2.8317 no . .
C22 H27A 3.4317 no . .
C22 H27B 3.5591 no . .
C22 H27C 2.2953 no . .
C23 H22A 3.31(5) no . .
C23 H22B 2.52(6) no . .
C23 H24B 3.4965 no . .
C23 H24C 2.4593 no . .
C24 H3 2.8633 no . .
C24 H23C 2.4385 no . .
C24 H25A 2.8497 no . .
C24 H25B 2.8140 no . .
C25 H24A 2.8571 no . .
C25 H24B 2.8098 no . .
C25 H26C 2.4680 no . .
C25 H29C 2.8704 no . .
C26 H25A 3.5081 no . .
C26 H25C 2.5010 no . .
C26 H27A 2.8835 no . .
C26 H27B 2.9524 no . .
C26 H29C 2.7303 no . .
C26 H30A 2.8218 no . .
C27 H22A 2.99(5) no . .
C27 H22C 2.46(11) no . .
C27 H26A 2.8592 no . .
C27 H26B 2.9353 no . .
C27 H30A 2.9362 no . .
C27 H30C 3.2406 no . .
C28 H1A 2.6086 no . .
C28 H29A 2.8505 no . .
C28 H29B 2.8583 no . .
C28 H30B 2.7249 no . .
C28 H30C 3.0761 no . .
C29 H15 3.3371 no . .
C29 H25B 3.4251 no . .
C29 H25C 3.1738 no . .
C29 H26A 3.1594 no . .
C29 H26C 3.2718 no . .
C29 H28A 2.8650 no . .
C29 H28B 2.8551 no . .
C29 H30A 3.0076 no . .
C29 H30B 3.0190 no . .
C30 H1A 3.4719 no . .
C30 H26A 2.8066 no . .
C30 H27B 2.6467 no . .
C30 H28A 2.7630 no . .
C30 H28C 3.0241 no . .
C30 H29B 2.8589 no . .
C30 H29C 3.1804 no . .
C31 H44 3.1566 no . .
C31 H52 2.8600 no . .
C31 H60 2.7867 no . .
C32 H34 3.2812 no . .
C32 H36 3.2446 no . .
C32 H60 2.6993 no . .
C34 H32 3.2658 no . .
C34 H36 3.2683 no . .
C36 H32 3.2458 no . .
C36 H34 3.2847 no . .
C36 H44 3.2693 no . .
C36 H52 2.8602 no . .
C37 H32 2.6075 no . .
C37 H34 2.6604 no . .
C38 H34 2.6898 no . .
C38 H36 2.6042 no . .
C39 H32 3.2236 no . .
C39 H48 2.7708 no . .
C39 H56 2.8959 no . .
C40 H32 3.3490 no . .
C40 H42 3.2655 no . .
C40 H44 3.2296 no . .
C40 H56 2.9564 no . .
C42 H40 3.2505 no . .
C42 H44 3.2651 no . .
C44 H40 3.2276 no . .
C44 H42 3.2807 no . .
C44 H48 2.7539 no . .
C45 H40 2.6139 no . .
C45 H42 2.6683 no . .
C46 H42 2.6715 no . .
C46 H44 2.6319 no . .
C47 H36 2.6132 no . .
C47 H44 2.9160 no . .
C47 H56 3.1193 no . .
C48 H36 3.4984 no . .
C48 H44 2.8567 no . .
C48 H50 3.2854 no . .
C48 H52 3.2335 no . .
C48 H56 3.3213 no . .
C50 H48 3.2695 no . .
C50 H52 3.2590 no . .
C51 H36 3.4083 no . .
C52 H36 2.5903 no . .
C52 H48 3.2364 no . .
C52 H50 3.2740 no . .
C53 H48 2.6270 no . .
C53 H50 2.6831 no . .
C54 H50 2.6324 no . .
C54 H52 2.6491 no . .
C55 H32 2.9657 no . .
C55 H40 2.6251 no . .
C55 H52 3.1797 no . .
C56 H40 2.6388 no . .
C56 H58 3.2545 no . .
C56 H60 3.2464 no . .
C57 H40 3.4660 no . .
C58 H56 3.2373 no . .
C58 H60 3.2694 no . .
C60 H32 2.8505 no . .
C60 H40 3.5289 no . .
C60 H52 3.4058 no . .
C60 H56 3.2400 no . .
C60 H58 3.2784 no . .
C61 H56 2.6043 no . .
C61 H58 2.6852 no . .
C62 H58 2.6813 no . .
C62 H60 2.6117 no . .
B1 H32 2.8055 no . .
B1 H36 2.8081 no . .
B1 H40 2.8192 no . .
B1 H44 2.7657 no . .
B1 H48 2.8465 no . .
B1 H52 2.7392 no . .
B1 H56 2.7321 no . .
B1 H60 2.8633 no . .
H1A H5 3.4496 no . .
H1A H11 2.6635 no . .
H1A H28A 3.4243 no . .
H1A H28B 3.0227 no . .
H1A H28C 1.9647 no . .
H1A H30C 3.0899 no . .
H1B H22B 3.3899 no . .
H1B H5 2.0361 no . .
H1B H22C 2.9664 no . .
H1B H28C 3.5084 no . .
H1B H30C 3.3392 no . .
H22A H23A 2.9735 no . .
H22A H23B 3.3345 no . .
H22A H27A 3.3056 no . .
H22A H27C 2.3885 no . .
H3 H9 2.0383 no . .
H3 H11 3.2670 no . .
H3 H15 2.7731 no . .
H3 H24A 2.3645 no . .
H3 H24C 2.9162 no . .
H22B H5 2.4615 no . .
H22B H6 3.2734 no . .
H22B H23A 2.5534 no . .
H22B H23B 2.0893 no . .
H22B H23C 3.4690 no . .
H22B H27C 3.3789 no . .
H5 H6 2.3341 no . .
H5 H22C 3.0636 no . .
H5 H23B 3.1195 no . .
H6 H7 2.3380 no . .
H6 H23B 3.4545 no . .
H7 H8 2.3457 no . .
H8 H9 2.3264 no . .
H9 H23B 3.3886 no . .
H9 H23C 3.4883 no . .
H9 H24C 3.2988 no . .
H22C H27A 3.1773 no . .
H22C H27B 3.0090 no . .
H22C H27C 1.7212 no . .
H11 H12 2.3612 no . .
H11 H28B 3.3703 no . .
H11 H28C 3.2459 no . .
H12 H13 2.3247 no . .
H13 H14 2.3142 no . .
H14 H15 2.3366 no . .
H14 H28B 3.3946 no . .
H14 H29A 3.4437 no . .
H15 H24A 3.3034 no . .
H15 H25B 2.9411 no . .
H15 H28B 3.1633 no . .
H15 H29A 2.5761 no . .
H23A H24C 3.1463 no . .
H23B H24C 3.0415 no . .
H23C H24A 3.1921 no . .
H23C H24B 2.9372 no . .
H23C H24C 1.7189 no . .
H24A H25A 2.9640 no . .
H24A H25B 2.4333 no . .
H24B H25A 2.4220 no . .
H24B H25B 2.8485 no . .
H25A H26C 2.9729 no . .
H25B H26C 3.2193 no . .
H25B H29A 3.2052 no . .
H25B H29C 2.9041 no . .
H25C H26A 3.1155 no . .
H25C H26B 3.1559 no . .
H25C H26C 1.7556 no . .
H25C H29A 3.3454 no . .
H25C H29C 2.3029 no . .
H26A H27A 2.8856 no . .
H26A H27B 2.5196 no . .
H26A H29B 3.3994 no . .
H26A H29C 2.5488 no . .
H26A H30A 1.9515 no . .
H26A H30B 3.3886 no . .
H26A H30C 3.4123 no . .
H26B H27A 2.5266 no . .
H26B H27B 3.0825 no . .
H26B H30A 3.4174 no . .
H26C H29C 2.3463 no . .
H26C H30A 3.4001 no . .
H27A H30A 3.4094 no . .
H27B H30A 2.0958 no . .
H27B H30B 3.4552 no . .
H27B H30C 2.4210 no . .
H27C H30C 3.5425 no . .
H28A H29A 3.0771 no . .
H28A H29B 2.6358 no . .
H28A H30B 2.3716 no . .
H28A H30C 3.1760 no . .
H28B H29A 2.6174 no . .
H28B H29B 3.0743 no . .
H28C H30B 3.0501 no . .
H28C H30C 3.0112 no . .
H29B H30A 3.0085 no . .
H29B H30B 2.6897 no . .
H29C H30A 3.0121 no . .
H29C H30B 3.4736 no . .
H32 H40 3.1613 no . .
H32 H60 2.4892 no . .
H36 H44 3.0219 no . .
H36 H52 2.6044 no . .
H40 H56 2.6525 no . .
H44 H48 2.5470 no . .
H48 H56 3.0816 no . .
H52 H60 3.1900 no . .
F1 H27A 3.4090 no . 2_766
F1 H27B 2.5209 no . 2_766
F1 H27C 3.2227 no . 2_766
F1 H28A 2.6323 no . 1_655
F1 H28B 3.1732 no . 1_655
F1 H28C 3.4007 no . 1_655
F1 H30A 3.2832 no . 2_766
F1 H30C 3.1540 no . 2_766
F2 H6 2.7210 no . 1_665
F2 H27B 3.3924 no . 2_766
F2 H27C 2.9831 no . 2_766
F3 H6 2.8232 no . 1_665
F3 H7 3.4764 no . 1_665
F3 H13 3.4690 no . 1_655
F3 H28A 3.2168 no . 1_655
F3 H28B 3.0974 no . 1_655
F3 H50 2.5346 no . 1_655
F4 H11 3.0446 no . 2_666
F4 H12 2.8916 no . 2_666
F4 H28C 3.1761 no . 2_666
F4 H34 2.8197 no . 2_766
F5 H1A 2.8166 no . 2_666
F5 H28C 2.6199 no . 2_666
F5 H30A 3.3292 no . .
F5 H30B 3.0794 no . .
F6 H12 2.9265 no . 1_655
F6 H26A 2.7918 no . .
F6 H26B 3.5781 no . .
F6 H30A 2.9092 no . .
F6 H34 2.7391 no . 2_766
F7 H3 3.5704 no . 2_667
F7 H7 3.4793 no . 1_665
F7 H8 2.5606 no . 1_665
F7 H8 3.0224 no . 2_667
F7 H9 2.5106 no . 2_667
F8 H7 2.7860 no . 1_665
F8 H8 3.3103 no . 1_665
F8 H14 3.2704 no . 1_655
F9 H3 2.9980 no . 2_667
F9 H9 2.8398 no . 2_667
F10 H13 3.5029 no . 1_655
F10 H25A 3.5944 no . .
F10 H25C 2.8886 no . .
F10 H26B 3.0905 no . .
F10 H26C 2.4246 no . .
F11 H15 3.2675 no . 2_667
F11 H25A 3.1492 no . .
F11 H25B 2.8109 no . 2_667
F11 H25C 2.7783 no . .
F11 H26C 3.5159 no . .
F12 H14 2.6480 no . 2_667
F12 H15 2.9205 no . 2_667
F12 H42 3.1945 no . 2_767
F13 H23A 2.9821 no . 1_565
F13 H23B 3.3939 no . 1_565
F13 H23C 3.4287 no . 1_565
F13 H24B 3.2084 no . 2_667
F13 H25A 2.9347 no . 2_667
F14 H25A 2.6721 no . 2_667
F14 H29A 2.9327 no . .
F14 H29C 3.4857 no . .
F15 H7 3.0493 no . 1_565
F15 H14 2.8382 no . .
F15 H29A 3.2028 no . .
F16 H1B 3.0228 no . 2_666
F16 H22C 3.40(11) no . 2_666
F16 H27C 3.5473 no . 2_666
F16 H28A 3.5106 no . .
F16 H30C 3.0129 no . 2_666
F17 H22B 3.02(6) no . 1_565
F17 H5 3.0876 no . 1_565
F17 H6 2.7745 no . 1_565
F17 H22C 3.45(12) no . 1_565
F17 H22C 3.39(11) no . 2_666
F18 H1B 2.7636 no . 2_666
F18 H5 2.8288 no . 2_666
F18 H22C 3.43(12) no . 2_666
F19 H8 3.4383 no . 1_665
F19 H8 3.1669 no . 2_667
F19 H23C 3.1100 no . 2_667
F19 H24C 3.4233 no . 2_667
F20 H23A 3.1705 no . 1_565
F20 H23C 3.1701 no . 2_667
F20 H24B 3.3575 no . 1_565
F20 H24C 3.5573 no . 2_667
F21 H25A 3.4590 no . 1_565
F21 H26B 2.8624 no . 1_565
F21 H26C 3.4923 no . 1_565
F22 H11 2.6100 no . 1_665
F22 H27A 3.4858 no . 1_565
F23 H27A 2.8446 no . 1_565
F23 H27C 3.3712 no . 1_565
F23 H34 3.4396 no . 2_776
F24 H5 3.2777 no . 1_665
F24 H6 3.5022 no . 1_665
F25 H11 2.8421 no . 1_665
F25 H26B 3.4935 no . 1_565
F25 H27A 2.6147 no . 1_565
F25 H34 3.1172 no . 2_776
F26 H5 3.0330 no . 1_665
C6 H32 3.3963 no . 1_445
C6 H50 3.1632 no . 1_545
C7 H32 3.2099 no . 1_445
C7 H40 3.1290 no . 1_445
C8 H40 3.2701 no . 1_445
C10 H42 3.5429 no . 2_667
C14 H42 3.1403 no . 2_667
C15 H42 2.8167 no . 2_667
C24 H48 3.4566 no . 2_667
C24 H56 3.5528 no . 2_667
C26 H58 3.5999 no . 1_545
C28 H30B 3.3127 no . 2_666
C30 H28A 3.1864 no . 2_666
C30 H30B 3.0921 no . 2_666
C31 H13 3.1454 no . 1_655
C32 H13 2.9174 no . 1_655
C33 H13 3.1132 no . 1_655
C34 H12 3.2939 no . 1_655
C34 H13 3.5098 no . 1_655
C35 H12 3.2212 no . 1_655
C36 H13 3.4560 no . 1_655
C37 H6 3.3123 no . 1_665
C37 H27B 3.5085 no . 2_766
C37 H28A 3.5140 no . 1_655
C38 H12 3.5726 no . 1_655
C38 H28C 3.4127 no . 2_666
C38 H34 3.3782 no . 2_766
C39 H13 3.2375 no . 1_655
C40 H7 3.1585 no . 1_665
C40 H13 3.5753 no . 1_655
C40 H24A 3.5498 no . 2_667
C41 H14 3.5440 no . 1_655
C41 H24A 3.3555 no . 2_667
C42 H13 3.5328 no . 1_655
C42 H14 3.4472 no . 1_655
C42 H15 3.1613 no . 2_667
C42 H24A 3.3301 no . 2_667
C43 H13 3.1534 no . 1_655
C43 H15 3.5474 no . 2_667
C43 H24A 3.4781 no . 2_667
C44 H13 2.9734 no . 1_655
C45 H3 3.5872 no . 2_667
C45 H7 3.4504 no . 1_665
C45 H8 3.4315 no . 1_665
C45 H9 3.1894 no . 2_667
C46 H15 3.4015 no . 2_667
C46 H25C 3.4236 no . .
C46 H26C 3.5079 no . .
C47 H22A 3.30(5) no . 1_565
C48 H23A 3.4602 no . 1_565
C48 H24B 3.4888 no . 2_667
C49 H23A 3.3843 no . 1_565
C49 H29A 3.5699 no . .
C49 H29B 3.4048 no . .
C50 H22B 3.15(6) no . 1_565
C50 H6 3.2770 no . 1_565
C50 H29B 3.2282 no . .
C51 H22A 3.13(6) no . 1_565
C51 H22B 3.04(6) no . 1_565
C52 H22A 2.85(5) no . 1_565
C52 H22B 3.47(6) no . 1_565
C53 H25A 3.3740 no . 2_667
C53 H29A 3.4040 no . .
C54 H1B 3.4894 no . 2_666
C54 H22B 3.48(6) no . 1_565
C55 H22A 3.43(5) no . 1_565
C56 H22A 3.44(6) no . 1_565
C58 H26B 3.3587 no . 1_565
C58 H27A 2.8294 no . 1_565
C59 H27A 2.9581 no . 1_565
C62 H27A 3.0768 no . 1_565
H1A F5 2.8166 no . 2_666
H1B F16 3.0228 no . 2_666
H1B F18 2.7636 no . 2_666
H1B C54 3.4894 no . 2_666
H22A C47 3.30(5) no . 1_545
H22A C51 3.13(6) no . 1_545
H22A C52 2.85(5) no . 1_545
H22A C55 3.43(5) no . 1_545
H22A C56 3.44(6) no . 1_545
H22A H52 2.9381 no . 1_545
H3 F7 3.5704 no . 2_667
H3 F9 2.9980 no . 2_667
H3 C45 3.5872 no . 2_667
H3 H42 3.5733 no . 2_667
H22B F17 3.02(6) no . 1_545
H22B C50 3.15(6) no . 1_545
H22B C51 3.04(6) no . 1_545
H22B C52 3.47(6) no . 1_545
H22B C54 3.48(6) no . 1_545
H22B H50 3.4001 no . 1_545
H5 F17 3.0876 no . 1_545
H5 F18 2.8288 no . 2_666
H5 F24 3.2777 no . 1_445
H5 F26 3.0330 no . 1_445
H6 F2 2.7210 no . 1_445
H6 F3 2.8232 no . 1_445
H6 F17 2.7745 no . 1_545
H6 F24 3.5022 no . 1_445
H6 C37 3.3123 no . 1_445
H6 C50 3.2770 no . 1_545
H6 H32 3.0593 no . 1_445
H6 H50 2.5699 no . 1_545
H7 F3 3.4764 no . 1_445
H7 F7 3.4793 no . 1_445
H7 F8 2.7860 no . 1_445
H7 F15 3.0493 no . 1_545
H7 C40 3.1585 no . 1_445
H7 C45 3.4504 no . 1_445
H7 H32 2.7372 no . 1_445
H7 H40 2.5757 no . 1_445
H7 H50 3.5637 no . 1_545
H8 F7 2.5606 no . 1_445
H8 F7 3.0224 no . 2_667
H8 F8 3.3103 no . 1_445
H8 F19 3.4383 no . 1_445
H8 F19 3.1669 no . 2_667
H8 C45 3.4315 no . 1_445
H8 H40 2.8336 no . 1_445
H9 F7 2.5106 no . 2_667
H9 F9 2.8398 no . 2_667
H9 C45 3.1894 no . 2_667
H22C F16 3.40(11) no . 2_666
H22C F17 3.45(12) no . 1_545
H22C F17 3.39(11) no . 2_666
H22C F18 3.43(12) no . 2_666
H11 F4 3.0446 no . 2_666
H11 F22 2.6100 no . 1_445
H11 F25 2.8421 no . 1_445
H11 H58 3.3454 no . 1_445
H12 F4 2.8916 no . 2_666
H12 F6 2.9265 no . 1_455
H12 C34 3.2939 no . 1_455
H12 C35 3.2212 no . 1_455
H12 C38 3.5726 no . 1_455
H12 H26B 3.4379 no . 1_455
H12 H34 3.5023 no . 1_455
H13 F3 3.4690 no . 1_455
H13 F10 3.5029 no . 1_455
H13 C31 3.1454 no . 1_455
H13 C32 2.9174 no . 1_455
H13 C33 3.1132 no . 1_455
H13 C34 3.5098 no . 1_455
H13 C36 3.4560 no . 1_455
H13 C39 3.2375 no . 1_455
H13 C40 3.5753 no . 1_455
H13 C42 3.5328 no . 1_455
H13 C43 3.1534 no . 1_455
H13 C44 2.9734 no . 1_455
H13 H32 3.2200 no . 1_455
H13 H44 3.2536 no . 1_455
H14 F8 3.2704 no . 1_455
H14 F12 2.6480 no . 2_667
H14 F15 2.8382 no . .
H14 C41 3.5440 no . 1_455
H14 C42 3.4472 no . 1_455
H14 H42 3.5633 no . 1_455
H14 H42 3.2359 no . 2_667
H15 F11 3.2675 no . 2_667
H15 F12 2.9205 no . 2_667
H15 C42 3.1613 no . 2_667
H15 C43 3.5474 no . 2_667
H15 C46 3.4015 no . 2_667
H15 H42 2.6531 no . 2_667
H23A F13 2.9821 no . 1_545
H23A F20 3.1705 no . 1_545
H23A C48 3.4602 no . 1_545
H23A C49 3.3843 no . 1_545
H23A H56 3.4363 no . 1_545
H23B F13 3.3939 no . 1_545
H23C F13 3.4287 no . 1_545
H23C F19 3.1100 no . 2_667
H23C F20 3.1701 no . 2_667
H24A C40 3.5498 no . 2_667
H24A C41 3.3555 no . 2_667
H24A C42 3.3301 no . 2_667
H24A C43 3.4781 no . 2_667
H24A H48 3.4724 no . 2_667
H24B F13 3.2084 no . 2_667
H24B F20 3.3575 no . 1_545
H24B C48 3.4888 no . 2_667
H24B H48 2.6596 no . 2_667
H24B H56 3.2545 no . 2_667
H24C F19 3.4233 no . 2_667
H24C F20 3.5573 no . 2_667
H24C H56 3.0862 no . 2_667
H25A F10 3.5944 no . .
H25A F11 3.1492 no . .
H25A F13 2.9347 no . 2_667
H25A F14 2.6721 no . 2_667
H25A F21 3.4590 no . 1_545
H25A C53 3.3740 no . 2_667
H25A H48 3.4661 no . 2_667
H25B F11 2.8109 no . 2_667
H25C F10 2.8886 no . .
H25C F11 2.7783 no . .
H25C C46 3.4236 no . .
H26A F6 2.7918 no . .
H26B F6 3.5781 no . .
H26B F10 3.0905 no . .
H26B F21 2.8624 no . 1_545
H26B F25 3.4935 no . 1_545
H26B C58 3.3587 no . 1_545
H26B H12 3.4379 no . 1_655
H26B H58 2.6887 no . 1_545
H26C F10 2.4246 no . .
H26C F11 3.5159 no . .
H26C F21 3.4923 no . 1_545
H26C C46 3.5079 no . .
H26C H44 3.5271 no . .
H27A F1 3.4090 no . 2_766
H27A F22 3.4858 no . 1_545
H27A F23 2.8446 no . 1_545
H27A F25 2.6147 no . 1_545
H27A C58 2.8294 no . 1_545
H27A C59 2.9581 no . 1_545
H27A C62 3.0768 no . 1_545
H27A H58 2.7649 no . 1_545
H27B F1 2.5209 no . 2_766
H27B F2 3.3924 no . 2_766
H27B C37 3.5085 no . 2_766
H27C F1 3.2227 no . 2_766
H27C F2 2.9831 no . 2_766
H27C F16 3.5473 no . 2_666
H27C F23 3.3712 no . 1_545
H28A F1 2.6323 no . 1_455
H28A F3 3.2168 no . 1_455
H28A F16 3.5106 no . .
H28A C30 3.1864 no . 2_666
H28A C37 3.5140 no . 1_455
H28A H30A 3.4686 no . 2_666
H28A H30B 2.8400 no . 2_666
H28A H30C 2.7799 no . 2_666
H28B F1 3.1732 no . 1_455
H28B F3 3.0974 no . 1_455
H28C F1 3.4007 no . 1_455
H28C F4 3.1761 no . 2_666
H28C F5 2.6199 no . 2_666
H28C C38 3.4127 no . 2_666
H28C H30B 3.0022 no . 2_666
H29A F14 2.9327 no . .
H29A F15 3.2028 no . .
H29A C49 3.5699 no . .
H29A C53 3.4040 no . .
H29B C49 3.4048 no . .
H29B C50 3.2282 no . .
H29B H36 3.5875 no . .
H29B H50 3.3799 no . .
H29C F14 3.4857 no . .
H30A F1 3.2832 no . 2_766
H30A F5 3.3292 no . .
H30A F6 2.9092 no . .
H30A H28A 3.4686 no . 2_666
H30B F5 3.0794 no . .
H30B C28 3.3127 no . 2_666
H30B C30 3.0921 no . 2_666
H30B H28A 2.8400 no . 2_666
H30B H28C 3.0022 no . 2_666
H30B H30B 2.5346 no . 2_666
H30B H30C 2.8262 no . 2_666
H30C F1 3.1540 no . 2_766
H30C F16 3.0129 no . 2_666
H30C H28A 2.7799 no . 2_666
H30C H30B 2.8262 no . 2_666
H32 C6 3.3963 no . 1_665
H32 C7 3.2099 no . 1_665
H32 H6 3.0593 no . 1_665
H32 H7 2.7372 no . 1_665
H32 H13 3.2200 no . 1_655
H34 F4 2.8197 no . 2_766
H34 F6 2.7391 no . 2_766
H34 F23 3.4396 no . 2_776
H34 F25 3.1172 no . 2_776
H34 C38 3.3782 no . 2_766
H34 H12 3.5023 no . 1_655
H36 H29B 3.5875 no . .
H40 C7 3.1290 no . 1_665
H40 C8 3.2701 no . 1_665
H40 H7 2.5757 no . 1_665
H40 H8 2.8336 no . 1_665
H42 F12 3.1945 no . 2_767
H42 C10 3.5429 no . 2_667
H42 C14 3.1403 no . 2_667
H42 C15 2.8167 no . 2_667
H42 H3 3.5733 no . 2_667
H42 H14 3.5633 no . 1_655
H42 H14 3.2359 no . 2_667
H42 H15 2.6531 no . 2_667
H42 H42 3.4040 no . 2_767
H44 H13 3.2536 no . 1_655
H44 H26C 3.5271 no . .
H48 C24 3.4566 no . 2_667
H48 H24A 3.4724 no . 2_667
H48 H24B 2.6596 no . 2_667
H48 H25A 3.4661 no . 2_667
H50 F3 2.5346 no . 1_455
H50 C6 3.1632 no . 1_565
H50 H22B 3.4001 no . 1_565
H50 H6 2.5699 no . 1_565
H50 H7 3.5637 no . 1_565
H50 H29B 3.3799 no . .
H52 H22A 2.9381 no . 1_565
H56 C24 3.5528 no . 2_667
H56 H23A 3.4363 no . 1_565
H56 H24B 3.2545 no . 2_667
H56 H24C 3.0862 no . 2_667
H58 C26 3.5999 no . 1_565
H58 H11 3.3454 no . 1_665
H58 H26B 2.6887 no . 1_565
H58 H27A 2.7649 no . 1_565

#==============================================================================

#==============================================================================
# Additional structures and associated data_? identifiers
# should be added at this point if there is more than one 
# structure analysis in the CIF.

#==============================================================================
#     End of CIF
#==============================================================================
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: 1,2-dichloroethane/hexane'
