# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ANDRES01_2A


#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C22 H23 Ru, F6 P'
_chemical_formula_sum            'C22 H23 F6 P Ru'
_chemical_formula_weight         533.44
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   8.6460(13)
_cell_length_b                   8.6690(11)
_cell_length_c                   27.921(3)
_cell_angle_alpha                90
_cell_angle_beta                 97.352(9)
_cell_angle_gamma                90
_cell_volume                     2075.5(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    2790
_cell_measurement_theta_min      2.46
_cell_measurement_theta_max      21.91
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.05
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1072
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.892
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min  0.877
_exptl_absorpt_correction_T_max  0.956


#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector                 'CCD plate'
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_av_unetI/netI     0.1382
_diffrn_reflns_number            7780
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         1.47
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_full        25
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.925
_reflns_number_total             7780
_reflns_number_gt                5041
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  
;
          WinGX publication routines (Farrugia, 2012),
          CRYSCALc (T. Roisnel, local program, 2014)
;

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1068P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_coef       0.0042(6)
_refine_ls_number_reflns         7780
_refine_ls_number_parameters     249
_refine_ls_number_restraints     83
_refine_ls_R_factor_all          0.1089
_refine_ls_R_factor_gt           0.0716
_refine_ls_wR_factor_ref         0.197
_refine_ls_wR_factor_gt          0.18
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_restrained_S_all      0.959
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.123
_refine_diff_density_min         -1.059
_refine_diff_density_rms         0.203

# End of res file
#----------------------------------------------------------------------------#

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'


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 0.55708(7) 0.48185(6) 0.62618(2) 0.0227(2) Uani 1 1 d . . .
C1 C 0.7616(9) 0.4556(9) 0.6805(2) 0.0265(18) Uani 1 1 d . A .
C2 C 0.6811(9) 0.5962(8) 0.6895(2) 0.0238(18) Uani 1 1 d . A .
C3 C 0.5288(10) 0.5533(9) 0.6997(3) 0.0264(19) Uani 1 1 d . A .
C4 C 0.5128(9) 0.3879(9) 0.6959(3) 0.0244(18) Uani 1 1 d . A .
C5 C 0.6545(10) 0.3279(9) 0.6835(3) 0.0257(19) Uani 1 1 d . A .
C10 C 0.6938(13) 0.1612(9) 0.6772(3) 0.053(3) Uani 1 1 d . . .
H10A H 0.7334 0.1165 0.7086 0.08 Uiso 1 1 calc R A .
H10B H 0.7737 0.1528 0.6554 0.08 Uiso 1 1 calc R . .
H10C H 0.6 0.1054 0.6634 0.08 Uiso 1 1 calc R . .
C6 C 0.9276(9) 0.4431(12) 0.6702(3) 0.054(3) Uani 1 1 d . . .
H6A H 0.9611 0.5423 0.6582 0.081 Uiso 1 1 calc R A .
H6B H 0.935 0.3632 0.6457 0.081 Uiso 1 1 calc R . .
H6C H 0.995 0.4156 0.6999 0.081 Uiso 1 1 calc R . .
C7 C 0.7444(13) 0.7574(9) 0.6892(3) 0.057(3) Uani 1 1 d . . .
H7A H 0.6634 0.8268 0.6738 0.086 Uiso 1 1 calc R A .
H7B H 0.8343 0.7594 0.6711 0.086 Uiso 1 1 calc R . .
H7C H 0.7768 0.7912 0.7225 0.086 Uiso 1 1 calc R . .
C8 C 0.4064(12) 0.6603(10) 0.7139(3) 0.046(3) Uani 1 1 d . . .
H8A H 0.4082 0.6583 0.7491 0.07 Uiso 1 1 calc R A .
H8B H 0.3036 0.6271 0.6985 0.07 Uiso 1 1 calc R . .
H8C H 0.4273 0.7654 0.7035 0.07 Uiso 1 1 calc R . .
C9 C 0.3757(11) 0.2976(11) 0.7079(3) 0.053(3) Uani 1 1 d . . .
H9A H 0.375 0.196 0.6925 0.08 Uiso 1 1 calc R A .
H9B H 0.2794 0.3527 0.6961 0.08 Uiso 1 1 calc R . .
H9C H 0.3828 0.2848 0.743 0.08 Uiso 1 1 calc R . .
P4 P 0.1225(3) 0.9655(2) 0.61753(8) 0.0309(5) Uani 1 1 d . . .
F41 F 0.1332(8) 0.9289(8) 0.5633(2) 0.089(2) Uani 1 1 d . . .
F42 F 0.1085(6) 0.7835(5) 0.6276(2) 0.0559(16) Uani 1 1 d . . .
F43 F 0.3097(6) 0.9564(6) 0.6288(2) 0.0644(17) Uani 1 1 d . . .
F44 F 0.1130(8) 0.9969(7) 0.6724(2) 0.0795(19) Uani 1 1 d . . .
F45 F 0.1350(7) 1.1420(5) 0.6080(2) 0.0713(19) Uani 1 1 d . . .
F46 F -0.0616(6) 0.9751(6) 0.6063(2) 0.0591(16) Uani 1 1 d . . .
C30A C 0.8715(16) 0.3500(15) 0.5397(5) 0.0303(9) Uani 0.5 1 d PD A 1
H30A H 0.9517 0.2797 0.5342 0.036 Uiso 0.5 1 calc PR A 1
C31A C 0.9052(17) 0.5043(15) 0.5446(6) 0.0303(9) Uani 0.5 1 d PD A 1
H31A H 1.0087 0.5344 0.541 0.036 Uiso 0.5 1 calc PR A 1
C32A C 0.8007(17) 0.6243(16) 0.5544(7) 0.0303(9) Uani 0.5 1 d PD A 1
H32A H 0.8322 0.7292 0.5574 0.036 Uiso 0.5 1 calc PR A 1
C21A C 0.6436(17) 0.5756(15) 0.5595(8) 0.0303(9) Uani 0.5 1 d PD A 1
C22A C 0.5133(17) 0.667(2) 0.5719(9) 0.0303(9) Uani 0.5 1 d PD A 1
H22A H 0.5238 0.7755 0.5758 0.036 Uiso 0.5 1 calc PR A 1
C23A C 0.371(2) 0.5944(17) 0.5782(8) 0.0303(9) Uani 0.5 1 d PD A 1
H23A H 0.2881 0.6557 0.587 0.036 Uiso 0.5 1 calc PR A 1
C24A C 0.348(2) 0.4365(16) 0.5720(7) 0.0303(9) Uani 0.5 1 d PD A 1
H24A H 0.2504 0.3918 0.5764 0.036 Uiso 0.5 1 calc PR A 1
C25A C 0.4688(18) 0.3431(16) 0.5592(9) 0.0303(9) Uani 0.5 1 d PD A 1
C27A C 0.4924(18) 0.1815(16) 0.5515(7) 0.0303(9) Uani 0.5 1 d PD A 1
H27A H 0.4149 0.1051 0.5536 0.036 Uiso 0.5 1 calc PR A 1
C28A C 0.6394(17) 0.1498(17) 0.5406(7) 0.0303(9) Uani 0.5 1 d PD A 1
H28A H 0.6788 0.0516 0.5331 0.036 Uiso 0.5 1 calc PR A 1
C29A C 0.7228(15) 0.2949(15) 0.5427(5) 0.0303(9) Uani 0.5 1 d PD A 1
C26A C 0.616(3) 0.4141(15) 0.5530(11) 0.0303(9) Uani 0.5 1 d PD A 1
C22B C 0.4727(18) 0.660(2) 0.5718(9) 0.0303(9) Uani 0.5 1 d PD A 2
H22B H 0.4598 0.7665 0.578 0.036 Uiso 0.5 1 calc PR A 2
C23B C 0.351(2) 0.5590(17) 0.5757(8) 0.0303(9) Uani 0.5 1 d PD A 2
H23B H 0.2541 0.6013 0.5813 0.036 Uiso 0.5 1 calc PR A 2
C24B C 0.363(2) 0.3937(16) 0.5717(7) 0.0303(9) Uani 0.5 1 d PD A 2
H24B H 0.2791 0.3285 0.5779 0.036 Uiso 0.5 1 calc PR A 2
C25B C 0.5059(18) 0.3303(16) 0.5578(9) 0.0303(9) Uani 0.5 1 d PD A 2
C27B C 0.5455(18) 0.1672(18) 0.5499(7) 0.0303(9) Uani 0.5 1 d PD A 2
H27B H 0.4728 0.0868 0.5531 0.036 Uiso 0.5 1 calc PR A 2
C28B C 0.6926(17) 0.1359(18) 0.5378(7) 0.0303(9) Uani 0.5 1 d PD A 2
H28B H 0.7153 0.0314 0.5311 0.036 Uiso 0.5 1 calc PR A 2
C29B C 0.8067(19) 0.2402(15) 0.5346(5) 0.0303(9) Uani 0.5 1 d PD A 2
H29B H 0.9055 0.2073 0.5271 0.036 Uiso 0.5 1 calc PR A 2
C30B C 0.7796(18) 0.3974(14) 0.5424(6) 0.0303(9) Uani 0.5 1 d PD A 2
C31B C 0.8624(18) 0.5472(15) 0.5447(6) 0.0303(9) Uani 0.5 1 d PD A 2
H31B H 0.9689 0.559 0.5404 0.036 Uiso 0.5 1 calc PR A 2
C32B C 0.7668(18) 0.6670(17) 0.5540(7) 0.0303(9) Uani 0.5 1 d PD A 2
H32B H 0.7965 0.7724 0.5567 0.036 Uiso 0.5 1 calc PR A 2
C21B C 0.6141(18) 0.6069(16) 0.5588(8) 0.0303(9) Uani 0.5 1 d PD A 2
C26B C 0.625(2) 0.4420(16) 0.5524(11) 0.0303(9) Uani 0.5 1 d PD A 2





#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C5 2.170(7) . ?
Ru1 C2 2.185(7) . ?
Ru1 C23A 2.19(2) . ?
Ru1 C3 2.187(7) . ?
Ru1 C4 2.189(7) . ?
Ru1 C1 2.189(7) . ?
Ru1 C22A 2.21(2) . ?
Ru1 C22B 2.22(2) . ?
Ru1 C23B 2.23(2) . ?
Ru1 C24A 2.239(19) . ?
Ru1 C26B 2.24(3) . ?
Ru1 C21A 2.245(19) . ?
C1 C2 1.441(11) . ?
C1 C5 1.453(11) . ?
C1 C6 1.504(11) . ?
C2 C3 1.431(11) . ?
C2 C7 1.501(10) . ?
C3 C4 1.444(10) . ?
C3 C8 1.499(10) . ?
C4 C5 1.414(11) . ?
C4 C9 1.494(11) . ?
C5 C10 1.500(10) . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
C6 H6A 0.98 . ?
C6 H6B 0.98 . ?
C6 H6C 0.98 . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
P4 F45 1.560(5) . ?
P4 F41 1.560(6) . ?
P4 F44 1.569(6) . ?
P4 F46 1.585(5) . ?
P4 F42 1.609(5) . ?
P4 F43 1.611(5) . ?
C30A C31A 1.372(14) . ?
C30A C29A 1.384(12) . ?
C30A H30A 0.95 . ?
C31A C32A 1.428(13) . ?
C31A H31A 0.95 . ?
C32A C21A 1.446(15) . ?
C32A H32A 0.95 . ?
C21A C26A 1.428(11) . ?
C21A C22A 1.455(14) . ?
C22A C23A 1.411(15) . ?
C22A H22A 0.95 . ?
C23A C24A 1.392(14) . ?
C23A H23A 0.95 . ?
C24A C25A 1.404(14) . ?
C24A H24A 0.95 . ?
C25A C27A 1.435(12) . ?
C25A C26A 1.446(18) . ?
C27A C28A 1.372(15) . ?
C27A H27A 0.95 . ?
C28A C29A 1.447(15) . ?
C28A H28A 0.95 . ?
C29A C26A 1.438(15) . ?
C22B C23B 1.380(17) . ?
C22B C21B 1.396(16) . ?
C22B H22B 0.95 . ?
C23B C24B 1.441(16) . ?
C23B H23B 0.95 . ?
C24B C25B 1.453(17) . ?
C24B H24B 0.95 . ?
C25B C26B 1.437(15) . ?
C25B C27B 1.478(16) . ?
C27B C28B 1.384(17) . ?
C27B H27B 0.95 . ?
C28B C29B 1.350(17) . ?
C28B H28B 0.95 . ?
C29B C30B 1.404(15) . ?
C29B H29B 0.95 . ?
C30B C26B 1.45(2) . ?
C30B C31B 1.481(16) . ?
C31B C32B 1.372(16) . ?
C31B H31B 0.95 . ?
C32B C21B 1.442(18) . ?
C32B H32B 0.95 . ?
C21B C26B 1.446(14) . ?


loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C5 Ru1 C2 65.0(3) . . ?
C5 Ru1 C23A 155.8(5) . . ?
C2 Ru1 C23A 122.7(5) . . ?
C5 Ru1 C3 64.0(3) . . ?
C2 Ru1 C3 38.2(3) . . ?
C23A Ru1 C3 106.7(6) . . ?
C5 Ru1 C4 37.9(3) . . ?
C2 Ru1 C4 64.7(3) . . ?
C23A Ru1 C4 120.8(6) . . ?
C3 Ru1 C4 38.5(3) . . ?
C5 Ru1 C1 38.9(3) . . ?
C2 Ru1 C1 38.5(3) . . ?
C23A Ru1 C1 159.4(4) . . ?
C3 Ru1 C1 63.7(3) . . ?
C4 Ru1 C1 64.1(3) . . ?
C5 Ru1 C22A 166.0(5) . . ?
C2 Ru1 C22A 104.4(6) . . ?
C23A Ru1 C22A 37.5(4) . . ?
C3 Ru1 C22A 114.1(5) . . ?
C4 Ru1 C22A 147.9(5) . . ?
C1 Ru1 C22A 127.1(5) . . ?
C5 Ru1 C22B 173.7(5) . . ?
C2 Ru1 C22B 108.8(6) . . ?
C23A Ru1 C22B 28.3(6) . . ?
C3 Ru1 C22B 112.2(5) . . ?
C4 Ru1 C22B 141.9(5) . . ?
C1 Ru1 C22B 135.3(5) . . ?
C22A Ru1 C22B 9.2(6) . . ?
C5 Ru1 C23B 148.8(5) . . ?
C2 Ru1 C23B 130.2(5) . . ?
C23A Ru1 C23B 9.1(6) . . ?
C3 Ru1 C23B 109.5(5) . . ?
C4 Ru1 C23B 117.3(6) . . ?
C1 Ru1 C23B 168.2(4) . . ?
C22A Ru1 C23B 45.0(7) . . ?
C22B Ru1 C23B 36.2(5) . . ?
C5 Ru1 C24A 126.5(5) . . ?
C2 Ru1 C24A 153.8(4) . . ?
C23A Ru1 C24A 36.6(4) . . ?
C3 Ru1 C24A 120.4(5) . . ?
C4 Ru1 C24A 108.5(5) . . ?
C1 Ru1 C24A 163.9(4) . . ?
C22A Ru1 C24A 67.1(6) . . ?
C22B Ru1 C24A 59.6(6) . . ?
C23B Ru1 C24A 27.7(5) . . ?
C5 Ru1 C26B 117.4(6) . . ?
C2 Ru1 C26B 130.9(6) . . ?
C23A Ru1 C26B 76.4(8) . . ?
C3 Ru1 C26B 168.6(5) . . ?
C4 Ru1 C26B 149.0(5) . . ?
C1 Ru1 C26B 109.7(7) . . ?
C22A Ru1 C26B 61.5(7) . . ?
C22B Ru1 C26B 65.2(7) . . ?
C23B Ru1 C26B 75.3(8) . . ?
C24A Ru1 C26B 68.7(8) . . ?
C5 Ru1 C21A 134.0(4) . . ?
C2 Ru1 C21A 109.0(5) . . ?
C23A Ru1 C21A 68.1(6) . . ?
C3 Ru1 C21A 139.8(4) . . ?
C4 Ru1 C21A 170.7(5) . . ?
C1 Ru1 C21A 106.7(5) . . ?
C22A Ru1 C21A 38.1(4) . . ?
C22B Ru1 C21A 45.3(6) . . ?
C23B Ru1 C21A 71.9(7) . . ?
C24A Ru1 C21A 80.2(6) . . ?
C26B Ru1 C21A 30.6(6) . . ?
C2 C1 C5 108.0(7) . . ?
C2 C1 C6 126.1(7) . . ?
C5 C1 C6 125.9(8) . . ?
C2 C1 Ru1 70.6(4) . . ?
C5 C1 Ru1 69.8(4) . . ?
C6 C1 Ru1 125.5(5) . . ?
C3 C2 C1 107.0(6) . . ?
C3 C2 C7 126.0(8) . . ?
C1 C2 C7 127.0(8) . . ?
C3 C2 Ru1 71.0(4) . . ?
C1 C2 Ru1 70.9(4) . . ?
C7 C2 Ru1 124.0(5) . . ?
C2 C3 C4 109.0(6) . . ?
C2 C3 C8 126.2(8) . . ?
C4 C3 C8 124.7(9) . . ?
C2 C3 Ru1 70.8(4) . . ?
C4 C3 Ru1 70.8(4) . . ?
C8 C3 Ru1 126.3(5) . . ?
C5 C4 C3 107.8(7) . . ?
C5 C4 C9 126.8(8) . . ?
C3 C4 C9 125.2(8) . . ?
C5 C4 Ru1 70.4(4) . . ?
C3 C4 Ru1 70.7(4) . . ?
C9 C4 Ru1 128.9(6) . . ?
C4 C5 C1 108.2(7) . . ?
C4 C5 C10 126.8(8) . . ?
C1 C5 C10 124.9(8) . . ?
C4 C5 Ru1 71.8(4) . . ?
C1 C5 Ru1 71.2(4) . . ?
C10 C5 Ru1 125.3(5) . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
F45 P4 F41 91.1(4) . . ?
F45 P4 F44 90.6(4) . . ?
F41 P4 F44 178.2(4) . . ?
F45 P4 F46 90.3(3) . . ?
F41 P4 F46 90.1(4) . . ?
F44 P4 F46 90.5(4) . . ?
F45 P4 F42 179.6(4) . . ?
F41 P4 F42 89.1(3) . . ?
F44 P4 F42 89.2(3) . . ?
F46 P4 F42 89.5(3) . . ?
F45 P4 F43 89.5(3) . . ?
F41 P4 F43 89.8(4) . . ?
F44 P4 F43 89.7(4) . . ?
F46 P4 F43 179.7(4) . . ?
F42 P4 F43 90.8(3) . . ?
C31A C30A C29A 121.2(13) . . ?
C31A C30A H30A 119.4 . . ?
C29A C30A H30A 119.4 . . ?
C30A C31A C32A 126.7(14) . . ?
C30A C31A H31A 116.6 . . ?
C32A C31A H31A 116.6 . . ?
C31A C32A C21A 115.6(13) . . ?
C31A C32A H32A 122.2 . . ?
C21A C32A H32A 122.2 . . ?
C26A C21A C32A 114.6(12) . . ?
C26A C21A C22A 116.3(15) . . ?
C32A C21A C22A 129.1(13) . . ?
C26A C21A Ru1 71.5(13) . . ?
C32A C21A Ru1 127.2(13) . . ?
C22A C21A Ru1 69.5(11) . . ?
C23A C22A C21A 120.0(15) . . ?
C23A C22A Ru1 70.5(12) . . ?
C21A C22A Ru1 72.4(11) . . ?
C23A C22A H22A 120 . . ?
C21A C22A H22A 120 . . ?
Ru1 C22A H22A 129.5 . . ?
C24A C23A C22A 122.4(15) . . ?
C24A C23A Ru1 73.7(11) . . ?
C22A C23A Ru1 72.0(12) . . ?
C24A C23A H23A 118.8 . . ?
C22A C23A H23A 118.8 . . ?
Ru1 C23A H23A 127.7 . . ?
C23A C24A C25A 120.0(15) . . ?
C23A C24A Ru1 69.6(11) . . ?
C25A C24A Ru1 73.2(11) . . ?
C23A C24A H24A 120 . . ?
C25A C24A H24A 120 . . ?
Ru1 C24A H24A 129.6 . . ?
C24A C25A C27A 136.5(15) . . ?
C24A C25A C26A 118.8(14) . . ?
C27A C25A C26A 104.7(11) . . ?
C24A C25A Ru1 70.6(10) . . ?
C27A C25A Ru1 126.9(15) . . ?
C26A C25A Ru1 70.4(13) . . ?
C28A C27A C25A 112.5(13) . . ?
C28A C27A H27A 123.8 . . ?
C25A C27A H27A 123.8 . . ?
C27A C28A C29A 106.7(12) . . ?
C27A C28A H28A 126.6 . . ?
C29A C28A H28A 126.6 . . ?
C30A C29A C26A 112.8(13) . . ?
C30A C29A C28A 139.4(13) . . ?
C26A C29A C28A 107.7(12) . . ?
C21A C26A C29A 129.0(16) . . ?
C21A C26A C25A 122.5(15) . . ?
C29A C26A C25A 108.4(11) . . ?
C21A C26A Ru1 71.4(11) . . ?
C29A C26A Ru1 126.6(19) . . ?
C25A C26A Ru1 72.3(14) . . ?
C23B C22B C21B 120.7(16) . . ?
C23B C22B Ru1 72.1(12) . . ?
C21B C22B Ru1 74.2(11) . . ?
C23B C22B H22B 119.6 . . ?
C21B C22B H22B 119.6 . . ?
Ru1 C22B H22B 125.9 . . ?
C22B C23B C24B 124.4(16) . . ?
C22B C23B Ru1 71.8(12) . . ?
C24B C23B Ru1 72.2(11) . . ?
C22B C23B H23B 117.8 . . ?
C24B C23B H23B 117.8 . . ?
Ru1 C23B H23B 131.5 . . ?
C23B C24B C25B 117.6(14) . . ?
C23B C24B Ru1 70.2(10) . . ?
C25B C24B Ru1 73.7(11) . . ?
C23B C24B H24B 121.2 . . ?
C25B C24B H24B 121.2 . . ?
Ru1 C24B H24B 126.7 . . ?
C26B C25B C24B 114.9(13) . . ?
C26B C25B C27B 116.5(14) . . ?
C24B C25B C27B 128.5(14) . . ?
C26B C25B Ru1 68.8(13) . . ?
C24B C25B Ru1 69.2(10) . . ?
C27B C25B Ru1 130.0(15) . . ?
C28B C27B C25B 117.5(14) . . ?
C28B C27B H27B 121.3 . . ?
C25B C27B H27B 121.3 . . ?
C29B C28B C27B 125.9(14) . . ?
C29B C28B H28B 117 . . ?
C27B C28B H28B 117 . . ?
C28B C29B C30B 120.2(15) . . ?
C28B C29B H29B 119.9 . . ?
C30B C29B H29B 119.9 . . ?
C29B C30B C26B 117.7(13) . . ?
C29B C30B C31B 140.3(14) . . ?
C26B C30B C31B 102.1(11) . . ?
C32B C31B C30B 111.9(13) . . ?
C32B C31B H31B 124.1 . . ?
C30B C31B H31B 124.1 . . ?
C31B C32B C21B 109.0(13) . . ?
C31B C32B H32B 125.5 . . ?
C21B C32B H32B 125.5 . . ?
C22B C21B C32B 138.5(14) . . ?
C22B C21B C26B 115.6(15) . . ?
C32B C21B C26B 105.6(13) . . ?
C22B C21B Ru1 69.7(12) . . ?
C32B C21B Ru1 123.2(13) . . ?
C26B C21B Ru1 69.9(12) . . ?
C25B C26B C21B 126.4(17) . . ?
C25B C26B C30B 122.1(13) . . ?
C21B C26B C30B 111.4(12) . . ?
C25B C26B Ru1 74.4(13) . . ?
C21B C26B Ru1 72.8(12) . . ?
C30B C26B Ru1 125.2(19) . . ?


loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 Ru1 C1 C2 -118.6(6) . . . . ?
C23A Ru1 C1 C2 27.8(17) . . . . ?
C3 Ru1 C1 C2 -38.1(4) . . . . ?
C4 Ru1 C1 C2 -81.3(5) . . . . ?
C22A Ru1 C1 C2 63.2(7) . . . . ?
C22B Ru1 C1 C2 57.6(9) . . . . ?
C23B Ru1 C1 C2 18(3) . . . . ?
C24A Ru1 C1 C2 -147.0(18) . . . . ?
C26B Ru1 C1 C2 131.8(5) . . . . ?
C21A Ru1 C1 C2 99.8(5) . . . . ?
C2 Ru1 C1 C5 118.6(6) . . . . ?
C23A Ru1 C1 C5 146.3(16) . . . . ?
C3 Ru1 C1 C5 80.4(5) . . . . ?
C4 Ru1 C1 C5 37.3(4) . . . . ?
C22A Ru1 C1 C5 -178.2(7) . . . . ?
C22B Ru1 C1 C5 176.2(8) . . . . ?
C23B Ru1 C1 C5 137(3) . . . . ?
C24A Ru1 C1 C5 -28(2) . . . . ?
C26B Ru1 C1 C5 -109.6(6) . . . . ?
C21A Ru1 C1 C5 -141.7(5) . . . . ?
C5 Ru1 C1 C6 120.4(9) . . . . ?
C2 Ru1 C1 C6 -121.0(9) . . . . ?
C23A Ru1 C1 C6 -93.3(17) . . . . ?
C3 Ru1 C1 C6 -159.2(8) . . . . ?
C4 Ru1 C1 C6 157.7(8) . . . . ?
C22A Ru1 C1 C6 -57.8(10) . . . . ?
C22B Ru1 C1 C6 -63.5(11) . . . . ?
C23B Ru1 C1 C6 -103(3) . . . . ?
C24A Ru1 C1 C6 92.0(19) . . . . ?
C26B Ru1 C1 C6 10.8(9) . . . . ?
C21A Ru1 C1 C6 -21.3(8) . . . . ?
C5 C1 C2 C3 2.1(8) . . . . ?
C6 C1 C2 C3 -177.5(7) . . . . ?
Ru1 C1 C2 C3 62.2(5) . . . . ?
C5 C1 C2 C7 -178.8(7) . . . . ?
C6 C1 C2 C7 1.6(12) . . . . ?
Ru1 C1 C2 C7 -118.7(7) . . . . ?
C5 C1 C2 Ru1 -60.1(5) . . . . ?
C6 C1 C2 Ru1 120.3(7) . . . . ?
C5 Ru1 C2 C3 -79.0(5) . . . . ?
C23A Ru1 C2 C3 74.7(7) . . . . ?
C4 Ru1 C2 C3 -37.0(4) . . . . ?
C1 Ru1 C2 C3 -116.5(6) . . . . ?
C22A Ru1 C2 C3 110.8(5) . . . . ?
C22B Ru1 C2 C3 102.3(6) . . . . ?
C23B Ru1 C2 C3 68.3(8) . . . . ?
C24A Ru1 C2 C3 43.5(12) . . . . ?
C26B Ru1 C2 C3 175.4(7) . . . . ?
C21A Ru1 C2 C3 150.4(5) . . . . ?
C5 Ru1 C2 C1 37.5(4) . . . . ?
C23A Ru1 C2 C1 -168.8(7) . . . . ?
C3 Ru1 C2 C1 116.5(6) . . . . ?
C4 Ru1 C2 C1 79.5(5) . . . . ?
C22A Ru1 C2 C1 -132.7(5) . . . . ?
C22B Ru1 C2 C1 -141.2(6) . . . . ?
C23B Ru1 C2 C1 -175.1(7) . . . . ?
C24A Ru1 C2 C1 160.0(11) . . . . ?
C26B Ru1 C2 C1 -68.1(8) . . . . ?
C21A Ru1 C2 C1 -93.1(5) . . . . ?
C5 Ru1 C2 C7 159.8(9) . . . . ?
C23A Ru1 C2 C7 -46.5(10) . . . . ?
C3 Ru1 C2 C7 -121.2(9) . . . . ?
C4 Ru1 C2 C7 -158.2(9) . . . . ?
C1 Ru1 C2 C7 122.3(10) . . . . ?
C22A Ru1 C2 C7 -10.4(9) . . . . ?
C22B Ru1 C2 C7 -18.8(9) . . . . ?
C23B Ru1 C2 C7 -52.8(11) . . . . ?
C24A Ru1 C2 C7 -77.6(14) . . . . ?
C26B Ru1 C2 C7 54.2(11) . . . . ?
C21A Ru1 C2 C7 29.2(9) . . . . ?
C1 C2 C3 C4 -1.4(8) . . . . ?
C7 C2 C3 C4 179.5(7) . . . . ?
Ru1 C2 C3 C4 60.8(5) . . . . ?
C1 C2 C3 C8 176.4(7) . . . . ?
C7 C2 C3 C8 -2.7(12) . . . . ?
Ru1 C2 C3 C8 -121.5(7) . . . . ?
C1 C2 C3 Ru1 -62.2(5) . . . . ?
C7 C2 C3 Ru1 118.7(7) . . . . ?
C5 Ru1 C3 C2 82.0(5) . . . . ?
C23A Ru1 C3 C2 -122.0(5) . . . . ?
C4 Ru1 C3 C2 119.1(6) . . . . ?
C1 Ru1 C3 C2 38.4(4) . . . . ?
C22A Ru1 C3 C2 -82.7(6) . . . . ?
C22B Ru1 C3 C2 -92.5(6) . . . . ?
C23B Ru1 C3 C2 -131.2(6) . . . . ?
C24A Ru1 C3 C2 -159.3(5) . . . . ?
C26B Ru1 C3 C2 -18(3) . . . . ?
C21A Ru1 C3 C2 -46.4(8) . . . . ?
C5 Ru1 C3 C4 -37.1(4) . . . . ?
C2 Ru1 C3 C4 -119.1(6) . . . . ?
C23A Ru1 C3 C4 118.9(6) . . . . ?
C1 Ru1 C3 C4 -80.7(5) . . . . ?
C22A Ru1 C3 C4 158.2(6) . . . . ?
C22B Ru1 C3 C4 148.4(6) . . . . ?
C23B Ru1 C3 C4 109.7(6) . . . . ?
C24A Ru1 C3 C4 81.6(6) . . . . ?
C26B Ru1 C3 C4 -137(3) . . . . ?
C21A Ru1 C3 C4 -165.5(7) . . . . ?
C5 Ru1 C3 C8 -156.6(9) . . . . ?
C2 Ru1 C3 C8 121.4(10) . . . . ?
C23A Ru1 C3 C8 -0.6(10) . . . . ?
C4 Ru1 C3 C8 -119.5(11) . . . . ?
C1 Ru1 C3 C8 159.8(10) . . . . ?
C22A Ru1 C3 C8 38.7(10) . . . . ?
C22B Ru1 C3 C8 28.9(10) . . . . ?
C23B Ru1 C3 C8 -9.8(10) . . . . ?
C24A Ru1 C3 C8 -37.9(10) . . . . ?
C26B Ru1 C3 C8 104(3) . . . . ?
C21A Ru1 C3 C8 75.0(11) . . . . ?
C2 C3 C4 C5 0.1(9) . . . . ?
C8 C3 C4 C5 -177.7(7) . . . . ?
Ru1 C3 C4 C5 60.9(5) . . . . ?
C2 C3 C4 C9 174.6(7) . . . . ?
C8 C3 C4 C9 -3.1(12) . . . . ?
Ru1 C3 C4 C9 -124.6(8) . . . . ?
C2 C3 C4 Ru1 -60.8(5) . . . . ?
C8 C3 C4 Ru1 121.4(7) . . . . ?
C2 Ru1 C4 C5 -81.2(5) . . . . ?
C23A Ru1 C4 C5 164.4(6) . . . . ?
C3 Ru1 C4 C5 -117.9(7) . . . . ?
C1 Ru1 C4 C5 -38.4(4) . . . . ?
C22A Ru1 C4 C5 -157.6(10) . . . . ?
C22B Ru1 C4 C5 -169.8(8) . . . . ?
C23B Ru1 C4 C5 154.7(6) . . . . ?
C24A Ru1 C4 C5 126.2(5) . . . . ?
C26B Ru1 C4 C5 46.9(13) . . . . ?
C5 Ru1 C4 C3 117.9(7) . . . . ?
C2 Ru1 C4 C3 36.7(4) . . . . ?
C23A Ru1 C4 C3 -77.7(6) . . . . ?
C1 Ru1 C4 C3 79.6(5) . . . . ?
C22A Ru1 C4 C3 -39.7(11) . . . . ?
C22B Ru1 C4 C3 -51.8(10) . . . . ?
C23B Ru1 C4 C3 -87.3(6) . . . . ?
C24A Ru1 C4 C3 -115.9(5) . . . . ?
C26B Ru1 C4 C3 164.9(12) . . . . ?
C5 Ru1 C4 C9 -122.0(10) . . . . ?
C2 Ru1 C4 C9 156.8(9) . . . . ?
C23A Ru1 C4 C9 42.4(10) . . . . ?
C3 Ru1 C4 C9 120.1(10) . . . . ?
C1 Ru1 C4 C9 -160.4(9) . . . . ?
C22A Ru1 C4 C9 80.4(12) . . . . ?
C22B Ru1 C4 C9 68.3(12) . . . . ?
C23B Ru1 C4 C9 32.7(10) . . . . ?
C24A Ru1 C4 C9 4.2(9) . . . . ?
C26B Ru1 C4 C9 -75.1(14) . . . . ?
C3 C4 C5 C1 1.2(8) . . . . ?
C9 C4 C5 C1 -173.2(7) . . . . ?
Ru1 C4 C5 C1 62.3(5) . . . . ?
C3 C4 C5 C10 178.1(7) . . . . ?
C9 C4 C5 C10 3.6(13) . . . . ?
Ru1 C4 C5 C10 -120.9(8) . . . . ?
C3 C4 C5 Ru1 -61.1(5) . . . . ?
C9 C4 C5 Ru1 124.5(8) . . . . ?
C2 C1 C5 C4 -2.1(8) . . . . ?
C6 C1 C5 C4 177.5(7) . . . . ?
Ru1 C1 C5 C4 -62.7(5) . . . . ?
C2 C1 C5 C10 -179.0(7) . . . . ?
C6 C1 C5 C10 0.6(12) . . . . ?
Ru1 C1 C5 C10 120.4(7) . . . . ?
C2 C1 C5 Ru1 60.6(5) . . . . ?
C6 C1 C5 Ru1 -119.8(8) . . . . ?
C2 Ru1 C5 C4 80.3(5) . . . . ?
C23A Ru1 C5 C4 -34.3(13) . . . . ?
C3 Ru1 C5 C4 37.8(4) . . . . ?
C1 Ru1 C5 C4 117.3(6) . . . . ?
C22A Ru1 C5 C4 123(2) . . . . ?
C23B Ru1 C5 C4 -47.1(11) . . . . ?
C24A Ru1 C5 C4 -72.1(7) . . . . ?
C26B Ru1 C5 C4 -154.9(6) . . . . ?
C21A Ru1 C5 C4 173.1(7) . . . . ?
C2 Ru1 C5 C1 -37.0(4) . . . . ?
C23A Ru1 C5 C1 -151.6(12) . . . . ?
C3 Ru1 C5 C1 -79.6(5) . . . . ?
C4 Ru1 C5 C1 -117.3(6) . . . . ?
C22A Ru1 C5 C1 6(2) . . . . ?
C23B Ru1 C5 C1 -164.4(9) . . . . ?
C24A Ru1 C5 C1 170.6(6) . . . . ?
C26B Ru1 C5 C1 87.8(7) . . . . ?
C21A Ru1 C5 C1 55.8(8) . . . . ?
C2 Ru1 C5 C10 -157.0(9) . . . . ?
C23A Ru1 C5 C10 88.4(14) . . . . ?
C3 Ru1 C5 C10 160.5(9) . . . . ?
C4 Ru1 C5 C10 122.7(10) . . . . ?
C1 Ru1 C5 C10 -120.0(10) . . . . ?
C22A Ru1 C5 C10 -114(2) . . . . ?
C23B Ru1 C5 C10 75.6(13) . . . . ?
C24A Ru1 C5 C10 50.6(10) . . . . ?
C26B Ru1 C5 C10 -32.2(10) . . . . ?
C21A Ru1 C5 C10 -64.2(10) . . . . ?
C29A C30A C31A C32A 2(2) . . . . ?
C30A C31A C32A C21A 0(2) . . . . ?
C31A C32A C21A C26A -1(2) . . . . ?
C31A C32A C21A C22A 176.5(19) . . . . ?
C31A C32A C21A Ru1 83.7(18) . . . . ?
C5 Ru1 C21A C26A 68.8(13) . . . . ?
C2 Ru1 C21A C26A 142.1(11) . . . . ?
C23A Ru1 C21A C26A -99.4(12) . . . . ?
C3 Ru1 C21A C26A 170.4(11) . . . . ?
C1 Ru1 C21A C26A 101.7(11) . . . . ?
C22A Ru1 C21A C26A -128.6(16) . . . . ?
C22B Ru1 C21A C26A -119.9(15) . . . . ?
C23B Ru1 C21A C26A -90.6(12) . . . . ?
C24A Ru1 C21A C26A -63.4(11) . . . . ?
C26B Ru1 C21A C26A 1(2) . . . . ?
C5 Ru1 C21A C32A -38.5(14) . . . . ?
C2 Ru1 C21A C32A 34.8(12) . . . . ?
C23A Ru1 C21A C32A 153.2(13) . . . . ?
C3 Ru1 C21A C32A 63.1(13) . . . . ?
C1 Ru1 C21A C32A -5.6(12) . . . . ?
C22A Ru1 C21A C32A 124.1(17) . . . . ?
C22B Ru1 C21A C32A 132.8(16) . . . . ?
C23B Ru1 C21A C32A 162.1(13) . . . . ?
C24A Ru1 C21A C32A -170.7(12) . . . . ?
C26B Ru1 C21A C32A -106.3(19) . . . . ?
C5 Ru1 C21A C22A -162.6(9) . . . . ?
C2 Ru1 C21A C22A -89.3(10) . . . . ?
C23A Ru1 C21A C22A 29.1(9) . . . . ?
C3 Ru1 C21A C22A -61.0(12) . . . . ?
C1 Ru1 C21A C22A -129.7(10) . . . . ?
C22B Ru1 C21A C22A 8.6(14) . . . . ?
C23B Ru1 C21A C22A 38.0(10) . . . . ?
C24A Ru1 C21A C22A 65.2(10) . . . . ?
C26B Ru1 C21A C22A 130(2) . . . . ?
C26A C21A C22A C23A 2(3) . . . . ?
C32A C21A C22A C23A -176(2) . . . . ?
Ru1 C21A C22A C23A -54.0(18) . . . . ?
C26A C21A C22A Ru1 55.8(17) . . . . ?
C32A C21A C22A Ru1 -122(2) . . . . ?
C5 Ru1 C22A C23A -165.1(18) . . . . ?
C2 Ru1 C22A C23A -125.5(10) . . . . ?
C3 Ru1 C22A C23A -86.1(11) . . . . ?
C4 Ru1 C22A C23A -60.3(16) . . . . ?
C1 Ru1 C22A C23A -160.4(9) . . . . ?
C22B Ru1 C22A C23A -6(6) . . . . ?
C23B Ru1 C22A C23A 7.8(13) . . . . ?
C24A Ru1 C22A C23A 28.3(9) . . . . ?
C26B Ru1 C22A C23A 105.6(13) . . . . ?
C21A Ru1 C22A C23A 132.0(16) . . . . ?
C5 Ru1 C22A C21A 63(3) . . . . ?
C2 Ru1 C22A C21A 102.5(10) . . . . ?
C23A Ru1 C22A C21A -132.0(16) . . . . ?
C3 Ru1 C22A C21A 141.8(9) . . . . ?
C4 Ru1 C22A C21A 167.6(8) . . . . ?
C1 Ru1 C22A C21A 67.5(12) . . . . ?
C22B Ru1 C22A C21A -138(6) . . . . ?
C23B Ru1 C22A C21A -124.2(14) . . . . ?
C24A Ru1 C22A C21A -103.8(11) . . . . ?
C26B Ru1 C22A C21A -26.5(11) . . . . ?
C21A C22A C23A C24A -1(3) . . . . ?
Ru1 C22A C23A C24A -56.3(17) . . . . ?
C21A C22A C23A Ru1 54.9(18) . . . . ?
C5 Ru1 C23A C24A -55.7(18) . . . . ?
C2 Ru1 C23A C24A -157.4(9) . . . . ?
C3 Ru1 C23A C24A -118.9(10) . . . . ?
C4 Ru1 C23A C24A -79.5(11) . . . . ?
C1 Ru1 C23A C24A -177.6(13) . . . . ?
C22A Ru1 C23A C24A 133.0(16) . . . . ?
C22B Ru1 C23A C24A 135(2) . . . . ?
C23B Ru1 C23A C24A -10(6) . . . . ?
C26B Ru1 C23A C24A 72.4(10) . . . . ?
C21A Ru1 C23A C24A 103.4(11) . . . . ?
C5 Ru1 C23A C22A 171.3(11) . . . . ?
C2 Ru1 C23A C22A 69.5(12) . . . . ?
C3 Ru1 C23A C22A 108.1(10) . . . . ?
C4 Ru1 C23A C22A 147.5(10) . . . . ?
C1 Ru1 C23A C22A 49(2) . . . . ?
C22B Ru1 C23A C22A 2.0(18) . . . . ?
C23B Ru1 C23A C22A -143(6) . . . . ?
C24A Ru1 C23A C22A -133.0(16) . . . . ?
C26B Ru1 C23A C22A -60.6(11) . . . . ?
C21A Ru1 C23A C22A -29.6(10) . . . . ?
C22A C23A C24A C25A 0(3) . . . . ?
Ru1 C23A C24A C25A -55.2(17) . . . . ?
C22A C23A C24A Ru1 55.5(18) . . . . ?
C5 Ru1 C24A C23A 155.1(9) . . . . ?
C2 Ru1 C24A C23A 46.9(17) . . . . ?
C3 Ru1 C24A C23A 76.5(11) . . . . ?
C4 Ru1 C24A C23A 117.1(10) . . . . ?
C1 Ru1 C24A C23A 176.9(16) . . . . ?
C22A Ru1 C24A C23A -28.9(10) . . . . ?
C22B Ru1 C24A C23A -22.9(11) . . . . ?
C23B Ru1 C24A C23A 3.3(19) . . . . ?
C26B Ru1 C24A C23A -95.9(11) . . . . ?
C21A Ru1 C24A C23A -66.4(10) . . . . ?
C5 Ru1 C24A C25A -72.9(12) . . . . ?
C2 Ru1 C24A C25A 178.9(10) . . . . ?
C23A Ru1 C24A C25A 132.0(16) . . . . ?
C3 Ru1 C24A C25A -151.5(9) . . . . ?
C4 Ru1 C24A C25A -110.9(10) . . . . ?
C1 Ru1 C24A C25A -51(2) . . . . ?
C22A Ru1 C24A C25A 103.1(12) . . . . ?
C22B Ru1 C24A C25A 109.1(12) . . . . ?
C23B Ru1 C24A C25A 135(2) . . . . ?
C26B Ru1 C24A C25A 36.1(11) . . . . ?
C21A Ru1 C24A C25A 65.6(10) . . . . ?
C23A C24A C25A C27A 177(2) . . . . ?
Ru1 C24A C25A C27A 124(3) . . . . ?
C23A C24A C25A C26A 0(3) . . . . ?
Ru1 C24A C25A C26A -53(2) . . . . ?
C23A C24A C25A Ru1 53.5(16) . . . . ?
C5 Ru1 C25A C24A 125.2(10) . . . . ?
C2 Ru1 C25A C24A -177(2) . . . . ?
C23A Ru1 C25A C24A -29.1(9) . . . . ?
C3 Ru1 C25A C24A 52.9(15) . . . . ?
C4 Ru1 C25A C24A 84.5(11) . . . . ?
C1 Ru1 C25A C24A 163.1(8) . . . . ?
C22A Ru1 C25A C24A -66.0(10) . . . . ?
C22B Ru1 C25A C24A -57.1(10) . . . . ?
C23B Ru1 C25A C24A -22.5(11) . . . . ?
C26B Ru1 C25A C24A -125.5(15) . . . . ?
C21A Ru1 C25A C24A -104.2(11) . . . . ?
C5 Ru1 C25A C27A -9.1(15) . . . . ?
C2 Ru1 C25A C27A 49(4) . . . . ?
C23A Ru1 C25A C27A -163.3(16) . . . . ?
C3 Ru1 C25A C27A -81.3(14) . . . . ?
C4 Ru1 C25A C27A -49.8(14) . . . . ?
C1 Ru1 C25A C27A 28.8(17) . . . . ?
C22A Ru1 C25A C27A 159.7(14) . . . . ?
C22B Ru1 C25A C27A 168.6(15) . . . . ?
C23B Ru1 C25A C27A -156.7(17) . . . . ?
C24A Ru1 C25A C27A -134(2) . . . . ?
C26B Ru1 C25A C27A 100.2(16) . . . . ?
C21A Ru1 C25A C27A 121.5(14) . . . . ?
C5 Ru1 C25A C26A -103.0(11) . . . . ?
C2 Ru1 C25A C26A -45(4) . . . . ?
C23A Ru1 C25A C26A 102.7(12) . . . . ?
C3 Ru1 C25A C26A -175.3(10) . . . . ?
C4 Ru1 C25A C26A -143.7(10) . . . . ?
C1 Ru1 C25A C26A -65.1(13) . . . . ?
C22A Ru1 C25A C26A 65.8(11) . . . . ?
C22B Ru1 C25A C26A 74.7(11) . . . . ?
C23B Ru1 C25A C26A 109.4(13) . . . . ?
C24A Ru1 C25A C26A 131.8(16) . . . . ?
C26B Ru1 C25A C26A 6.3(16) . . . . ?
C21A Ru1 C25A C26A 27.6(10) . . . . ?
C24A C25A C27A C28A -178(2) . . . . ?
C26A C25A C27A C28A -1(3) . . . . ?
Ru1 C25A C27A C28A -77.1(19) . . . . ?
C25A C27A C28A C29A 2(2) . . . . ?
C31A C30A C29A C26A -2(2) . . . . ?
C31A C30A C29A C28A -178.8(19) . . . . ?
C27A C28A C29A C30A 174(2) . . . . ?
C27A C28A C29A C26A -3(2) . . . . ?
C32A C21A C26A C29A 1(4) . . . . ?
C22A C21A C26A C29A -177(3) . . . . ?
Ru1 C21A C26A C29A -122(3) . . . . ?
C32A C21A C26A C25A 177(2) . . . . ?
C22A C21A C26A C25A -1(3) . . . . ?
Ru1 C21A C26A C25A 53(2) . . . . ?
C32A C21A C26A Ru1 123.2(16) . . . . ?
C22A C21A C26A Ru1 -54.7(16) . . . . ?
C30A C29A C26A C21A 1(4) . . . . ?
C28A C29A C26A C21A 179(2) . . . . ?
C30A C29A C26A C25A -175.4(19) . . . . ?
C28A C29A C26A C25A 2(3) . . . . ?
C30A C29A C26A Ru1 -94.2(16) . . . . ?
C28A C29A C26A Ru1 83.4(17) . . . . ?
C24A C25A C26A C21A 0(4) . . . . ?
C27A C25A C26A C21A -178(2) . . . . ?
Ru1 C25A C26A C21A -53(2) . . . . ?
C24A C25A C26A C29A 177(2) . . . . ?
C27A C25A C26A C29A -1(3) . . . . ?
Ru1 C25A C26A C29A 124(2) . . . . ?
C24A C25A C26A Ru1 53.3(19) . . . . ?
C27A C25A C26A Ru1 -124.5(16) . . . . ?
C5 Ru1 C26A C21A -133.0(9) . . . . ?
C2 Ru1 C26A C21A -55.5(13) . . . . ?
C23A Ru1 C26A C21A 69.3(10) . . . . ?
C4 Ru1 C26A C21A -164.5(8) . . . . ?
C1 Ru1 C26A C21A -91.1(10) . . . . ?
C22A Ru1 C26A C21A 31.7(9) . . . . ?
C22B Ru1 C26A C21A 41.1(10) . . . . ?
C23B Ru1 C26A C21A 78.4(11) . . . . ?
C24A Ru1 C26A C21A 105.8(11) . . . . ?
C26B Ru1 C26A C21A -5(10) . . . . ?
C5 Ru1 C26A C29A -7.7(16) . . . . ?
C2 Ru1 C26A C29A 69.8(14) . . . . ?
C23A Ru1 C26A C29A -165.4(15) . . . . ?
C4 Ru1 C26A C29A -39(2) . . . . ?
C1 Ru1 C26A C29A 34.2(15) . . . . ?
C22A Ru1 C26A C29A 157.0(16) . . . . ?
C22B Ru1 C26A C29A 166.4(16) . . . . ?
C23B Ru1 C26A C29A -156.3(15) . . . . ?
C24A Ru1 C26A C29A -128.9(15) . . . . ?
C26B Ru1 C26A C29A 121(11) . . . . ?
C21A Ru1 C26A C29A 125(2) . . . . ?
C5 Ru1 C26A C25A 92.4(11) . . . . ?
C2 Ru1 C26A C25A 169.9(8) . . . . ?
C23A Ru1 C26A C25A -65.3(11) . . . . ?
C4 Ru1 C26A C25A 60.9(16) . . . . ?
C1 Ru1 C26A C25A 134.3(10) . . . . ?
C22A Ru1 C26A C25A -102.9(12) . . . . ?
C22B Ru1 C26A C25A -93.5(12) . . . . ?
C23B Ru1 C26A C25A -56.2(11) . . . . ?
C24A Ru1 C26A C25A -28.8(10) . . . . ?
C26B Ru1 C26A C25A -139(11) . . . . ?
C21A Ru1 C26A C25A -134.6(17) . . . . ?
C2 Ru1 C22B C23B -133.7(10) . . . . ?
C23A Ru1 C22B C23B -9.0(17) . . . . ?
C3 Ru1 C22B C23B -93.0(11) . . . . ?
C4 Ru1 C22B C23B -61.0(15) . . . . ?
C1 Ru1 C22B C23B -167.4(9) . . . . ?
C22A Ru1 C22B C23B 163(7) . . . . ?
C24A Ru1 C22B C23B 20.3(11) . . . . ?
C26B Ru1 C22B C23B 99.1(12) . . . . ?
C21A Ru1 C22B C23B 127.8(15) . . . . ?
C2 Ru1 C22B C21B 95.8(10) . . . . ?
C23A Ru1 C22B C21B -140(2) . . . . ?
C3 Ru1 C22B C21B 136.5(10) . . . . ?
C4 Ru1 C22B C21B 168.5(8) . . . . ?
C1 Ru1 C22B C21B 62.1(13) . . . . ?
C22A Ru1 C22B C21B 33(5) . . . . ?
C23B Ru1 C22B C21B -130.5(16) . . . . ?
C24A Ru1 C22B C21B -110.2(12) . . . . ?
C26B Ru1 C22B C21B -31.4(9) . . . . ?
C21A Ru1 C22B C21B -2.7(12) . . . . ?
C21B C22B C23B C24B 6(3) . . . . ?
Ru1 C22B C23B C24B -52.0(18) . . . . ?
C21B C22B C23B Ru1 58.3(19) . . . . ?
C5 Ru1 C23B C22B 173.0(9) . . . . ?
C2 Ru1 C23B C22B 63.7(13) . . . . ?
C23A Ru1 C23B C22B 28(6) . . . . ?
C3 Ru1 C23B C22B 101.3(11) . . . . ?
C4 Ru1 C23B C22B 142.6(10) . . . . ?
C1 Ru1 C23B C22B 49(3) . . . . ?
C22A Ru1 C23B C22B -3.7(14) . . . . ?
C24A Ru1 C23B C22B -140(2) . . . . ?
C26B Ru1 C23B C22B -67.9(11) . . . . ?
C21A Ru1 C23B C22B -36.2(11) . . . . ?
C5 Ru1 C23B C24B -50.1(15) . . . . ?
C2 Ru1 C23B C24B -159.3(8) . . . . ?
C23A Ru1 C23B C24B 165(6) . . . . ?
C3 Ru1 C23B C24B -121.8(9) . . . . ?
C4 Ru1 C23B C24B -80.5(10) . . . . ?
C1 Ru1 C23B C24B -174(2) . . . . ?
C22A Ru1 C23B C24B 133.2(15) . . . . ?
C22B Ru1 C23B C24B 136.9(16) . . . . ?
C24A Ru1 C23B C24B -2.9(16) . . . . ?
C26B Ru1 C23B C24B 69.0(10) . . . . ?
C21A Ru1 C23B C24B 100.7(11) . . . . ?
C22B C23B C24B C25B -7(3) . . . . ?
Ru1 C23B C24B C25B -58.4(16) . . . . ?
C22B C23B C24B Ru1 51.8(19) . . . . ?
C5 Ru1 C24B C23B 153.2(9) . . . . ?
C2 Ru1 C24B C23B 57.3(19) . . . . ?
C23A Ru1 C24B C23B -3.3(14) . . . . ?
C3 Ru1 C24B C23B 76.6(11) . . . . ?
C4 Ru1 C24B C23B 114.3(10) . . . . ?
C1 Ru1 C24B C23B 177.3(10) . . . . ?
C22A Ru1 C24B C23B -32.3(11) . . . . ?
C22B Ru1 C24B C23B -25.8(10) . . . . ?
C24A Ru1 C24B C23B 8(4) . . . . ?
C26B Ru1 C24B C23B -97.6(11) . . . . ?
C21A Ru1 C24B C23B -70.6(10) . . . . ?
C5 Ru1 C24B C25B -78.6(10) . . . . ?
C2 Ru1 C24B C25B -174.5(12) . . . . ?
C23A Ru1 C24B C25B 124.9(14) . . . . ?
C3 Ru1 C24B C25B -155.2(9) . . . . ?
C4 Ru1 C24B C25B -117.5(9) . . . . ?
C1 Ru1 C24B C25B -54.5(16) . . . . ?
C22A Ru1 C24B C25B 95.9(10) . . . . ?
C22B Ru1 C24B C25B 102.4(11) . . . . ?
C23B Ru1 C24B C25B 128.2(15) . . . . ?
C24A Ru1 C24B C25B 136(5) . . . . ?
C26B Ru1 C24B C25B 30.6(9) . . . . ?
C21A Ru1 C24B C25B 57.6(10) . . . . ?
C23B C24B C25B C26B 4(3) . . . . ?
Ru1 C24B C25B C26B -52.9(19) . . . . ?
C23B C24B C25B C27B -178(2) . . . . ?
Ru1 C24B C25B C27B 125(2) . . . . ?
C23B C24B C25B Ru1 56.6(15) . . . . ?
C5 Ru1 C25B C26B -114.7(12) . . . . ?
C2 Ru1 C25B C26B -56(2) . . . . ?
C23A Ru1 C25B C26B 90.6(13) . . . . ?
C3 Ru1 C25B C26B -177.2(11) . . . . ?
C4 Ru1 C25B C26B -153.3(11) . . . . ?
C1 Ru1 C25B C26B -76.4(13) . . . . ?
C22A Ru1 C25B C26B 53.1(12) . . . . ?
C22B Ru1 C25B C26B 62.2(12) . . . . ?
C23B Ru1 C25B C26B 97.5(13) . . . . ?
C24A Ru1 C25B C26B 119.2(15) . . . . ?
C21A Ru1 C25B C26B 17.0(12) . . . . ?
C5 Ru1 C25B C24B 116.2(9) . . . . ?
C2 Ru1 C25B C24B 174.4(13) . . . . ?
C23A Ru1 C25B C24B -38.5(10) . . . . ?
C3 Ru1 C25B C24B 53.7(16) . . . . ?
C4 Ru1 C25B C24B 77.6(10) . . . . ?
C1 Ru1 C25B C24B 154.5(8) . . . . ?
C22A Ru1 C25B C24B -76.0(10) . . . . ?
C22B Ru1 C25B C24B -66.9(10) . . . . ?
C23B Ru1 C25B C24B -31.6(9) . . . . ?
C24A Ru1 C25B C24B -9.9(12) . . . . ?
C26B Ru1 C25B C24B -129.1(16) . . . . ?
C21A Ru1 C25B C24B -112.1(11) . . . . ?
C5 Ru1 C25B C27B -7.2(15) . . . . ?
C2 Ru1 C25B C27B 51(3) . . . . ?
C23A Ru1 C25B C27B -161.9(16) . . . . ?
C3 Ru1 C25B C27B -69.8(18) . . . . ?
C4 Ru1 C25B C27B -45.9(15) . . . . ?
C1 Ru1 C25B C27B 31.1(16) . . . . ?
C22A Ru1 C25B C27B 160.6(15) . . . . ?
C22B Ru1 C25B C27B 169.7(15) . . . . ?
C23B Ru1 C25B C27B -155.0(16) . . . . ?
C24A Ru1 C25B C27B -133.3(19) . . . . ?
C26B Ru1 C25B C27B 107.5(19) . . . . ?
C21A Ru1 C25B C27B 124.5(16) . . . . ?
C26B C25B C27B C28B 0(3) . . . . ?
C24B C25B C27B C28B -179(2) . . . . ?
Ru1 C25B C27B C28B -84(2) . . . . ?
C25B C27B C28B C29B 3(3) . . . . ?
C27B C28B C29B C30B -2(3) . . . . ?
C28B C29B C30B C26B -2(3) . . . . ?
C28B C29B C30B C31B 177(2) . . . . ?
C29B C30B C31B C32B 179.8(19) . . . . ?
C26B C30B C31B C32B -1(2) . . . . ?
C30B C31B C32B C21B 0(2) . . . . ?
C23B C22B C21B C32B -175(2) . . . . ?
Ru1 C22B C21B C32B -118(3) . . . . ?
C23B C22B C21B C26B -3(3) . . . . ?
Ru1 C22B C21B C26B 54.3(18) . . . . ?
C23B C22B C21B Ru1 -57.3(19) . . . . ?
C31B C32B C21B C22B 173(2) . . . . ?
C31B C32B C21B C26B 1(2) . . . . ?
C31B C32B C21B Ru1 76.5(17) . . . . ?
C5 Ru1 C21B C22B -169.6(9) . . . . ?
C2 Ru1 C21B C22B -96.8(11) . . . . ?
C23A Ru1 C21B C22B 20.8(11) . . . . ?
C3 Ru1 C21B C22B -63.3(12) . . . . ?
C1 Ru1 C21B C22B -137.8(10) . . . . ?
C22A Ru1 C21B C22B -10.4(17) . . . . ?
C23B Ru1 C21B C22B 29.7(10) . . . . ?
C24A Ru1 C21B C22B 56.3(11) . . . . ?
C26B Ru1 C21B C22B 128.7(16) . . . . ?
C21A Ru1 C21B C22B 168(5) . . . . ?
C5 Ru1 C21B C32B -34.2(16) . . . . ?
C2 Ru1 C21B C32B 38.6(12) . . . . ?
C23A Ru1 C21B C32B 156.2(14) . . . . ?
C3 Ru1 C21B C32B 72.1(12) . . . . ?
C1 Ru1 C21B C32B -2.4(13) . . . . ?
C22A Ru1 C21B C32B 125(2) . . . . ?
C22B Ru1 C21B C32B 135.4(18) . . . . ?
C23B Ru1 C21B C32B 165.1(13) . . . . ?
C24A Ru1 C21B C32B -168.3(12) . . . . ?
C26B Ru1 C21B C32B -95.9(16) . . . . ?
C21A Ru1 C21B C32B -56(4) . . . . ?
C5 Ru1 C21B C26B 61.7(13) . . . . ?
C2 Ru1 C21B C26B 134.4(11) . . . . ?
C23A Ru1 C21B C26B -107.9(12) . . . . ?
C3 Ru1 C21B C26B 167.9(10) . . . . ?
C1 Ru1 C21B C26B 93.5(11) . . . . ?
C22A Ru1 C21B C26B -139.1(19) . . . . ?
C22B Ru1 C21B C26B -128.7(16) . . . . ?
C23B Ru1 C21B C26B -99.0(12) . . . . ?
C24A Ru1 C21B C26B -72.4(11) . . . . ?
C21A Ru1 C21B C26B 39(5) . . . . ?
C24B C25B C26B C21B -1(4) . . . . ?
C27B C25B C26B C21B -179(2) . . . . ?
Ru1 C25B C26B C21B -54(2) . . . . ?
C24B C25B C26B C30B 175(2) . . . . ?
C27B C25B C26B C30B -3(4) . . . . ?
Ru1 C25B C26B C30B 122(3) . . . . ?
C24B C25B C26B Ru1 53.1(17) . . . . ?
C27B C25B C26B Ru1 -125.2(19) . . . . ?
C22B C21B C26B C25B 0(4) . . . . ?
C32B C21B C26B C25B 175(3) . . . . ?
Ru1 C21B C26B C25B 55(2) . . . . ?
C22B C21B C26B C30B -176(2) . . . . ?
C32B C21B C26B C30B -2(3) . . . . ?
Ru1 C21B C26B C30B -122(2) . . . . ?
C22B C21B C26B Ru1 -54.2(17) . . . . ?
C32B C21B C26B Ru1 120.2(15) . . . . ?
C29B C30B C26B C25B 4(3) . . . . ?
C31B C30B C26B C25B -175(2) . . . . ?
C29B C30B C26B C21B -179.1(16) . . . . ?
C31B C30B C26B C21B 2(2) . . . . ?
C29B C30B C26B Ru1 97.4(15) . . . . ?
C31B C30B C26B Ru1 -81.8(14) . . . . ?
C5 Ru1 C26B C25B 79.8(12) . . . . ?
C2 Ru1 C26B C25B 159.4(9) . . . . ?
C23A Ru1 C26B C25B -78.9(11) . . . . ?
C3 Ru1 C26B C25B 174(2) . . . . ?
C4 Ru1 C26B C25B 49.5(19) . . . . ?
C1 Ru1 C26B C25B 121.6(11) . . . . ?
C22A Ru1 C26B C25B -116.0(14) . . . . ?
C22B Ru1 C26B C25B -106.6(13) . . . . ?
C23B Ru1 C26B C25B -69.5(11) . . . . ?
C24A Ru1 C26B C25B -41.3(11) . . . . ?
C21A Ru1 C26B C25B -149(2) . . . . ?
C5 Ru1 C26B C21B -143.2(9) . . . . ?
C2 Ru1 C26B C21B -63.6(13) . . . . ?
C23A Ru1 C26B C21B 58.1(10) . . . . ?
C3 Ru1 C26B C21B -49(4) . . . . ?
C4 Ru1 C26B C21B -173.5(8) . . . . ?
C1 Ru1 C26B C21B -101.4(10) . . . . ?
C22A Ru1 C26B C21B 21.0(10) . . . . ?
C22B Ru1 C26B C21B 30.4(9) . . . . ?
C23B Ru1 C26B C21B 67.4(10) . . . . ?
C24A Ru1 C26B C21B 95.7(11) . . . . ?
C21A Ru1 C26B C21B -11.8(13) . . . . ?
C5 Ru1 C26B C30B -38.7(12) . . . . ?
C2 Ru1 C26B C30B 40.9(14) . . . . ?
C23A Ru1 C26B C30B 162.6(12) . . . . ?
C3 Ru1 C26B C30B 55(4) . . . . ?
C4 Ru1 C26B C30B -69.1(15) . . . . ?
C1 Ru1 C26B C30B 3.1(12) . . . . ?
C22A Ru1 C26B C30B 125.5(12) . . . . ?
C22B Ru1 C26B C30B 134.9(12) . . . . ?
C23B Ru1 C26B C30B 171.9(12) . . . . ?
C24A Ru1 C26B C30B -159.8(12) . . . . ?
C21A Ru1 C26B C30B 92.7(17) . . . . ?
_database_code_depnum_ccdc_archive 'CCDC 1002568'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ANDRES02_1A

#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C26 H25 Ru, F6 P'
_chemical_formula_sum            'C26 H25 F6 P Ru'
_chemical_formula_weight         583.5
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_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_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.7855(3)
_cell_length_b                   8.5249(4)
_cell_length_c                   17.6313(7)
_cell_angle_alpha                88.2880(10)
_cell_angle_beta                 79.3790(10)
_cell_angle_gamma                87.0630(10)
_cell_volume                     1148.39(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    6072
_cell_measurement_theta_min      2.39
_cell_measurement_theta_max      27.44
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.13
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             588
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.814
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min  0.751
_exptl_absorpt_correction_T_max  0.900


#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector                 'CCD plate'
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_unetI/netI     0.0297
_diffrn_reflns_number            15414
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.1
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_full        27.47
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_reflns_number_total             5246
_reflns_number_gt                5100
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker SAINT (Bruker, 2002)'
_computing_cell_refinement       'Bruker SMART (Bruker, 2002)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2002)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  
;
           WinGX publication routines (Farrugia, 2012),
           CRYSCAL (T. Roisnel, local program)
;

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0178P)²+0.8819P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         5246
_refine_ls_number_parameters     315
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0233
_refine_ls_wR_factor_ref         0.0604
_refine_ls_wR_factor_gt          0.0598
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_restrained_S_all      1.106
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.091
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.064

# End of res file
#----------------------------------------------------------------------------#

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'


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 0.281168(17) 0.587000(15) 0.262655(7) 0.01498(5) Uani 1 1 d . . .
C11 C 0.4257(2) 0.4643(2) 0.34292(10) 0.0223(4) Uani 1 1 d . . .
C12 C 0.5002(2) 0.6129(2) 0.32090(11) 0.0213(4) Uani 1 1 d . . .
C13 C 0.5622(2) 0.6132(2) 0.23864(10) 0.0188(3) Uani 1 1 d . . .
C14 C 0.5254(2) 0.4648(2) 0.21029(10) 0.0175(3) Uani 1 1 d . . .
C15 C 0.4406(2) 0.3729(2) 0.27473(10) 0.0194(3) Uani 1 1 d . . .
C16 C 0.3526(3) 0.4102(3) 0.42371(12) 0.0365(5) Uani 1 1 d . . .
H16A H 0.4453 0.3548 0.4462 0.055 Uiso 1 1 calc R . .
H16B H 0.258 0.3391 0.4227 0.055 Uiso 1 1 calc R . .
H16C H 0.3066 0.5013 0.455 0.055 Uiso 1 1 calc R . .
C17 C 0.5189(3) 0.7428(3) 0.37406(13) 0.0331(5) Uani 1 1 d . . .
H17A H 0.4201 0.7444 0.4175 0.05 Uiso 1 1 calc R . .
H17B H 0.5203 0.8437 0.3458 0.05 Uiso 1 1 calc R . .
H17C H 0.6284 0.7252 0.3936 0.05 Uiso 1 1 calc R . .
C18 C 0.6538(3) 0.7442(2) 0.19198(12) 0.0269(4) Uani 1 1 d . . .
H18A H 0.7765 0.7409 0.198 0.04 Uiso 1 1 calc R . .
H18B H 0.597 0.845 0.2099 0.04 Uiso 1 1 calc R . .
H18C H 0.6477 0.7323 0.1374 0.04 Uiso 1 1 calc R . .
C19 C 0.5678(2) 0.4140(2) 0.12806(11) 0.0244(4) Uani 1 1 d . . .
H19A H 0.5676 0.5064 0.0936 0.037 Uiso 1 1 calc R . .
H19B H 0.4799 0.3424 0.1185 0.037 Uiso 1 1 calc R . .
H19C H 0.6837 0.36 0.1183 0.037 Uiso 1 1 calc R . .
C20 C 0.3822(3) 0.2089(2) 0.27160(13) 0.0283(4) Uani 1 1 d . . .
H20A H 0.4735 0.1339 0.2837 0.042 Uiso 1 1 calc R . .
H20B H 0.3606 0.1896 0.2197 0.042 Uiso 1 1 calc R . .
H20C H 0.2742 0.1958 0.3093 0.042 Uiso 1 1 calc R . .
C10A C -0.0082(2) 0.5508(2) 0.29986(10) 0.0198(3) Uani 1 1 d . . .
C1 C 0.0346(2) 0.6971(2) 0.32653(11) 0.0248(4) Uani 1 1 d . . .
H1 H 0.0057 0.7193 0.38 0.03 Uiso 1 1 calc R . .
C2 C 0.1197(2) 0.8098(2) 0.27433(12) 0.0254(4) Uani 1 1 d . . .
H2 H 0.1436 0.9085 0.2927 0.031 Uiso 1 1 calc R . .
C3 C 0.1694(2) 0.7769(2) 0.19511(11) 0.0224(4) Uani 1 1 d . . .
H3 H 0.2301 0.8521 0.1609 0.027 Uiso 1 1 calc R . .
C3A C 0.1291(2) 0.6318(2) 0.16614(10) 0.0181(3) Uani 1 1 d . . .
C3A1 C 0.0388(2) 0.5180(2) 0.21915(10) 0.0163(3) Uani 1 1 d . . .
C4 C 0.1795(2) 0.5917(2) 0.08561(10) 0.0218(4) Uani 1 1 d . . .
H4 H 0.2404 0.6647 0.05 0.026 Uiso 1 1 calc R . .
C5 C 0.1415(2) 0.4529(2) 0.06055(10) 0.0226(4) Uani 1 1 d . . .
H5 H 0.1757 0.4304 0.0073 0.027 Uiso 1 1 calc R . .
C5A C 0.0503(2) 0.3364(2) 0.11181(10) 0.0195(3) Uani 1 1 d . . .
C5A1 C 0.0012(2) 0.3691(2) 0.19121(10) 0.0169(3) Uani 1 1 d . . .
C6 C 0.0086(3) 0.1924(2) 0.08567(12) 0.0254(4) Uani 1 1 d . . .
H6 H 0.041 0.1686 0.0325 0.03 Uiso 1 1 calc R . .
C7 C -0.0798(3) 0.0842(2) 0.13667(13) 0.0291(4) Uani 1 1 d . . .
H7 H -0.1088 -0.0125 0.118 0.035 Uiso 1 1 calc R . .
C8 C -0.1260(2) 0.1154(2) 0.21444(12) 0.0260(4) Uani 1 1 d . . .
H8 H -0.1851 0.0392 0.2487 0.031 Uiso 1 1 calc R . .
C8A C -0.0869(2) 0.2578(2) 0.24342(11) 0.0204(4) Uani 1 1 d . . .
C9 C -0.1303(2) 0.2933(2) 0.32461(11) 0.0247(4) Uani 1 1 d . . .
H9 H -0.1877 0.2179 0.3598 0.03 Uiso 1 1 calc R . .
C10 C -0.0914(2) 0.4303(2) 0.35142(11) 0.0253(4) Uani 1 1 d . . .
H10 H -0.119 0.4485 0.4053 0.03 Uiso 1 1 calc R . .
P4 P 0.5 0 0 0.01968(13) Uani 1 2 d S . .
F41 F 0.55905(18) -0.17969(14) 0.01463(7) 0.0348(3) Uani 1 1 d . . .
F42 F 0.45022(19) 0.02481(15) 0.09121(7) 0.0360(3) Uani 1 1 d . . .
F43 F 0.69420(16) 0.05208(16) 0.00052(8) 0.0387(3) Uani 1 1 d . . .
P5 P 0 0 0.5 0.03005(17) Uani 1 2 d S . .
F51 F 0.1344(2) 0.02523(18) 0.42163(8) 0.0578(5) Uani 1 1 d . . .
F52 F -0.0609(2) 0.18244(15) 0.49936(8) 0.0494(4) Uani 1 1 d . . .
F53 F 0.1453(2) 0.03846(19) 0.54895(9) 0.0546(4) Uani 1 1 d . . .





#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C12 2.1701(17) . ?
Ru1 C13 2.1724(17) . ?
Ru1 C11 2.1778(17) . ?
Ru1 C15 2.1816(17) . ?
Ru1 C14 2.1818(17) . ?
Ru1 C2 2.2165(18) . ?
Ru1 C1 2.2171(19) . ?
Ru1 C3 2.2177(17) . ?
Ru1 C3A 2.2587(17) . ?
Ru1 C10A 2.2614(17) . ?
Ru1 C3A1 2.2736(17) . ?
C11 C12 1.434(3) . ?
C11 C15 1.435(3) . ?
C11 C16 1.502(3) . ?
C12 C13 1.442(3) . ?
C12 C17 1.501(3) . ?
C13 C14 1.435(2) . ?
C13 C18 1.497(2) . ?
C14 C15 1.436(2) . ?
C14 C19 1.498(2) . ?
C15 C20 1.498(3) . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
C17 H17A 0.98 . ?
C17 H17B 0.98 . ?
C17 H17C 0.98 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 H20A 0.98 . ?
C20 H20B 0.98 . ?
C20 H20C 0.98 . ?
C10A C1 1.422(3) . ?
C10A C3A1 1.435(2) . ?
C10A C10 1.448(3) . ?
C1 C2 1.413(3) . ?
C1 H1 0.95 . ?
C2 C3 1.411(3) . ?
C2 H2 0.95 . ?
C3 C3A 1.423(3) . ?
C3 H3 0.95 . ?
C3A C3A1 1.443(2) . ?
C3A C4 1.448(3) . ?
C3A1 C5A1 1.438(2) . ?
C4 C5 1.341(3) . ?
C4 H4 0.95 . ?
C5 C5A 1.446(3) . ?
C5 H5 0.95 . ?
C5A C6 1.398(3) . ?
C5A C5A1 1.414(2) . ?
C5A1 C8A 1.414(2) . ?
C6 C7 1.385(3) . ?
C6 H6 0.95 . ?
C7 C8 1.382(3) . ?
C7 H7 0.95 . ?
C8 C8A 1.400(3) . ?
C8 H8 0.95 . ?
C8A C9 1.446(3) . ?
C9 C10 1.341(3) . ?
C9 H9 0.95 . ?
C10 H10 0.95 . ?
P4 F43 1.5991(12) . ?
P4 F43 1.5991(12) 2_655 ?
P4 F42 1.6010(11) 2_655 ?
P4 F42 1.6010(11) . ?
P4 F41 1.6038(11) . ?
P4 F41 1.6039(11) 2_655 ?
P5 F51 1.5882(14) 2_556 ?
P5 F51 1.5882(14) . ?
P5 F53 1.5957(15) . ?
P5 F53 1.5958(15) 2_556 ?
P5 F52 1.6028(13) 2_556 ?
P5 F52 1.6028(13) . ?


loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C12 Ru1 C13 38.78(7) . . ?
C12 Ru1 C11 38.51(7) . . ?
C13 Ru1 C11 64.58(7) . . ?
C12 Ru1 C15 64.55(7) . . ?
C13 Ru1 C15 64.48(6) . . ?
C11 Ru1 C15 38.45(7) . . ?
C12 Ru1 C14 64.66(7) . . ?
C13 Ru1 C14 38.49(7) . . ?
C11 Ru1 C14 64.43(7) . . ?
C15 Ru1 C14 38.44(6) . . ?
C12 Ru1 C2 107.86(7) . . ?
C13 Ru1 C2 115.29(7) . . ?
C11 Ru1 C2 130.67(7) . . ?
C15 Ru1 C2 168.95(7) . . ?
C14 Ru1 C2 147.52(7) . . ?
C12 Ru1 C1 112.26(7) . . ?
C13 Ru1 C1 141.79(7) . . ?
C11 Ru1 C1 110.04(7) . . ?
C15 Ru1 C1 136.19(7) . . ?
C14 Ru1 C1 174.26(7) . . ?
C2 Ru1 C1 37.16(7) . . ?
C12 Ru1 C3 124.35(7) . . ?
C13 Ru1 C3 105.76(7) . . ?
C11 Ru1 C3 161.77(7) . . ?
C15 Ru1 C3 153.64(7) . . ?
C14 Ru1 C3 118.58(7) . . ?
C2 Ru1 C3 37.12(7) . . ?
C1 Ru1 C3 67.15(7) . . ?
C12 Ru1 C3A 154.42(7) . . ?
C13 Ru1 C3A 118.83(6) . . ?
C11 Ru1 C3A 160.89(7) . . ?
C15 Ru1 C3A 123.72(7) . . ?
C14 Ru1 C3A 105.66(6) . . ?
C2 Ru1 C3A 66.71(7) . . ?
C1 Ru1 C3A 79.16(7) . . ?
C3 Ru1 C3A 37.06(6) . . ?
C12 Ru1 C10A 135.72(7) . . ?
C13 Ru1 C10A 174.13(6) . . ?
C11 Ru1 C10A 109.78(7) . . ?
C15 Ru1 C10A 112.39(7) . . ?
C14 Ru1 C10A 141.78(7) . . ?
C2 Ru1 C10A 66.73(7) . . ?
C1 Ru1 C10A 37.01(7) . . ?
C3 Ru1 C10A 79.20(7) . . ?
C3A Ru1 C10A 67.02(6) . . ?
C12 Ru1 C3A1 168.20(7) . . ?
C13 Ru1 C3A1 147.86(6) . . ?
C11 Ru1 C3A1 129.94(7) . . ?
C15 Ru1 C3A1 107.66(6) . . ?
C14 Ru1 C3A1 115.44(6) . . ?
C2 Ru1 C3A1 78.43(7) . . ?
C1 Ru1 C3A1 66.48(7) . . ?
C3 Ru1 C3A1 66.70(6) . . ?
C3A Ru1 C3A1 37.14(6) . . ?
C10A Ru1 C3A1 36.89(6) . . ?
C12 C11 C15 108.16(16) . . ?
C12 C11 C16 126.02(18) . . ?
C15 C11 C16 125.76(18) . . ?
C12 C11 Ru1 70.45(10) . . ?
C15 C11 Ru1 70.92(10) . . ?
C16 C11 Ru1 126.47(14) . . ?
C11 C12 C13 107.82(16) . . ?
C11 C12 C17 126.43(18) . . ?
C13 C12 C17 125.68(17) . . ?
C11 C12 Ru1 71.04(10) . . ?
C13 C12 Ru1 70.70(10) . . ?
C17 C12 Ru1 126.01(14) . . ?
C14 C13 C12 108.00(15) . . ?
C14 C13 C18 126.42(17) . . ?
C12 C13 C18 125.55(17) . . ?
C14 C13 Ru1 71.11(10) . . ?
C12 C13 Ru1 70.53(10) . . ?
C18 C13 Ru1 125.39(12) . . ?
C13 C14 C15 107.97(15) . . ?
C13 C14 C19 126.21(16) . . ?
C15 C14 C19 125.82(16) . . ?
C13 C14 Ru1 70.40(10) . . ?
C15 C14 Ru1 70.77(10) . . ?
C19 C14 Ru1 124.48(12) . . ?
C11 C15 C14 108.04(16) . . ?
C11 C15 C20 125.98(17) . . ?
C14 C15 C20 125.96(17) . . ?
C11 C15 Ru1 70.64(10) . . ?
C14 C15 Ru1 70.79(9) . . ?
C20 C15 Ru1 125.38(13) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C1 C10A C3A1 119.04(17) . . ?
C1 C10A C10 122.61(17) . . ?
C3A1 C10A C10 118.30(16) . . ?
C1 C10A Ru1 69.80(10) . . ?
C3A1 C10A Ru1 72.02(10) . . ?
C10 C10A Ru1 128.02(13) . . ?
C2 C1 C10A 120.66(18) . . ?
C2 C1 Ru1 71.40(11) . . ?
C10A C1 Ru1 73.19(10) . . ?
C2 C1 H1 119.7 . . ?
C10A C1 H1 119.7 . . ?
Ru1 C1 H1 127.9 . . ?
C3 C2 C1 120.54(17) . . ?
C3 C2 Ru1 71.48(10) . . ?
C1 C2 Ru1 71.44(11) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
Ru1 C2 H2 129.9 . . ?
C2 C3 C3A 120.50(17) . . ?
C2 C3 Ru1 71.39(10) . . ?
C3A C3 Ru1 73.04(10) . . ?
C2 C3 H3 119.8 . . ?
C3A C3 H3 119.8 . . ?
Ru1 C3 H3 128 . . ?
C3 C3A C3A1 118.99(16) . . ?
C3 C3A C4 122.54(16) . . ?
C3A1 C3A C4 118.45(16) . . ?
C3 C3A Ru1 69.91(10) . . ?
C3A1 C3A Ru1 71.99(9) . . ?
C4 C3A Ru1 128.52(12) . . ?
C10A C3A1 C5A1 119.99(15) . . ?
C10A C3A1 C3A 120.23(16) . . ?
C5A1 C3A1 C3A 119.74(15) . . ?
C10A C3A1 Ru1 71.09(10) . . ?
C5A1 C3A1 Ru1 129.05(12) . . ?
C3A C3A1 Ru1 70.87(9) . . ?
C5 C4 C3A 120.90(16) . . ?
C5 C4 H4 119.6 . . ?
C3A C4 H4 119.6 . . ?
C4 C5 C5A 122.24(17) . . ?
C4 C5 H5 118.9 . . ?
C5A C5 H5 118.9 . . ?
C6 C5A C5A1 118.75(17) . . ?
C6 C5A C5 122.35(17) . . ?
C5A1 C5A C5 118.89(16) . . ?
C5A C5A1 C8A 120.69(16) . . ?
C5A C5A1 C3A1 119.76(16) . . ?
C8A C5A1 C3A1 119.54(16) . . ?
C7 C6 C5A 120.53(18) . . ?
C7 C6 H6 119.7 . . ?
C5A C6 H6 119.7 . . ?
C8 C7 C6 120.74(18) . . ?
C8 C7 H7 119.6 . . ?
C6 C7 H7 119.6 . . ?
C7 C8 C8A 120.86(18) . . ?
C7 C8 H8 119.6 . . ?
C8A C8 H8 119.6 . . ?
C8 C8A C5A1 118.41(17) . . ?
C8 C8A C9 122.43(17) . . ?
C5A1 C8A C9 119.14(16) . . ?
C10 C9 C8A 121.63(17) . . ?
C10 C9 H9 119.2 . . ?
C8A C9 H9 119.2 . . ?
C9 C10 C10A 121.30(17) . . ?
C9 C10 H10 119.3 . . ?
C10A C10 H10 119.3 . . ?
F43 P4 F43 180 . 2_655 ?
F43 P4 F42 89.98(7) . 2_655 ?
F43 P4 F42 90.02(7) 2_655 2_655 ?
F43 P4 F42 90.02(7) . . ?
F43 P4 F42 89.98(7) 2_655 . ?
F42 P4 F42 180 2_655 . ?
F43 P4 F41 90.34(7) . . ?
F43 P4 F41 89.66(7) 2_655 . ?
F42 P4 F41 89.87(6) 2_655 . ?
F42 P4 F41 90.13(6) . . ?
F43 P4 F41 89.66(7) . 2_655 ?
F43 P4 F41 90.34(7) 2_655 2_655 ?
F42 P4 F41 90.13(6) 2_655 2_655 ?
F42 P4 F41 89.87(6) . 2_655 ?
F41 P4 F41 180 . 2_655 ?
F51 P5 F51 179.9990(10) 2_556 . ?
F51 P5 F53 89.13(9) 2_556 . ?
F51 P5 F53 90.87(9) . . ?
F51 P5 F53 90.87(9) 2_556 2_556 ?
F51 P5 F53 89.13(9) . 2_556 ?
F53 P5 F53 180 . 2_556 ?
F51 P5 F52 90.30(8) 2_556 2_556 ?
F51 P5 F52 89.70(8) . 2_556 ?
F53 P5 F52 90.19(8) . 2_556 ?
F53 P5 F52 89.81(8) 2_556 2_556 ?
F51 P5 F52 89.70(8) 2_556 . ?
F51 P5 F52 90.30(8) . . ?
F53 P5 F52 89.80(8) . . ?
F53 P5 F52 90.19(8) 2_556 . ?
F52 P5 F52 180 2_556 . ?


loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13 Ru1 C11 C12 37.92(11) . . . . ?
C15 Ru1 C11 C12 118.22(15) . . . . ?
C14 Ru1 C11 C12 80.75(11) . . . . ?
C2 Ru1 C11 C12 -64.51(14) . . . . ?
C1 Ru1 C11 C12 -100.90(12) . . . . ?
C3 Ru1 C11 C12 -23.3(3) . . . . ?
C3A Ru1 C11 C12 142.91(19) . . . . ?
C10A Ru1 C11 C12 -140.36(11) . . . . ?
C3A1 Ru1 C11 C12 -176.51(10) . . . . ?
C12 Ru1 C11 C15 -118.22(15) . . . . ?
C13 Ru1 C11 C15 -80.30(11) . . . . ?
C14 Ru1 C11 C15 -37.47(10) . . . . ?
C2 Ru1 C11 C15 177.27(10) . . . . ?
C1 Ru1 C11 C15 140.88(11) . . . . ?
C3 Ru1 C11 C15 -141.5(2) . . . . ?
C3A Ru1 C11 C15 24.7(3) . . . . ?
C10A Ru1 C11 C15 101.42(11) . . . . ?
C3A1 Ru1 C11 C15 65.27(13) . . . . ?
C12 Ru1 C11 C16 120.9(2) . . . . ?
C13 Ru1 C11 C16 158.8(2) . . . . ?
C15 Ru1 C11 C16 -120.9(2) . . . . ?
C14 Ru1 C11 C16 -158.3(2) . . . . ?
C2 Ru1 C11 C16 56.4(2) . . . . ?
C1 Ru1 C11 C16 20.0(2) . . . . ?
C3 Ru1 C11 C16 97.6(3) . . . . ?
C3A Ru1 C11 C16 -96.2(3) . . . . ?
C10A Ru1 C11 C16 -19.5(2) . . . . ?
C3A1 Ru1 C11 C16 -55.6(2) . . . . ?
C15 C11 C12 C13 -0.3(2) . . . . ?
C16 C11 C12 C13 177.08(18) . . . . ?
Ru1 C11 C12 C13 -61.47(12) . . . . ?
C15 C11 C12 C17 -177.52(18) . . . . ?
C16 C11 C12 C17 -0.2(3) . . . . ?
Ru1 C11 C12 C17 121.27(19) . . . . ?
C15 C11 C12 Ru1 61.21(12) . . . . ?
C16 C11 C12 Ru1 -121.5(2) . . . . ?
C13 Ru1 C12 C11 -117.60(15) . . . . ?
C15 Ru1 C12 C11 -37.36(11) . . . . ?
C14 Ru1 C12 C11 -80.10(11) . . . . ?
C2 Ru1 C12 C11 134.00(11) . . . . ?
C1 Ru1 C12 C11 94.61(12) . . . . ?
C3 Ru1 C12 C11 171.39(11) . . . . ?
C3A Ru1 C12 C11 -152.80(15) . . . . ?
C10A Ru1 C12 C11 59.31(15) . . . . ?
C3A1 Ru1 C12 C11 13.2(4) . . . . ?
C11 Ru1 C12 C13 117.60(15) . . . . ?
C15 Ru1 C12 C13 80.24(11) . . . . ?
C14 Ru1 C12 C13 37.50(10) . . . . ?
C2 Ru1 C12 C13 -108.40(11) . . . . ?
C1 Ru1 C12 C13 -147.79(10) . . . . ?
C3 Ru1 C12 C13 -71.01(12) . . . . ?
C3A Ru1 C12 C13 -35.2(2) . . . . ?
C10A Ru1 C12 C13 176.91(10) . . . . ?
C3A1 Ru1 C12 C13 130.8(3) . . . . ?
C13 Ru1 C12 C17 120.6(2) . . . . ?
C11 Ru1 C12 C17 -121.8(2) . . . . ?
C15 Ru1 C12 C17 -159.13(19) . . . . ?
C14 Ru1 C12 C17 158.13(19) . . . . ?
C2 Ru1 C12 C17 12.23(19) . . . . ?
C1 Ru1 C12 C17 -27.16(19) . . . . ?
C3 Ru1 C12 C17 49.6(2) . . . . ?
C3A Ru1 C12 C17 85.4(2) . . . . ?
C10A Ru1 C12 C17 -62.5(2) . . . . ?
C3A1 Ru1 C12 C17 -108.6(3) . . . . ?
C11 C12 C13 C14 0.11(19) . . . . ?
C17 C12 C13 C14 177.40(17) . . . . ?
Ru1 C12 C13 C14 -61.58(12) . . . . ?
C11 C12 C13 C18 -178.17(17) . . . . ?
C17 C12 C13 C18 -0.9(3) . . . . ?
Ru1 C12 C13 C18 120.15(17) . . . . ?
C11 C12 C13 Ru1 61.69(12) . . . . ?
C17 C12 C13 Ru1 -121.03(19) . . . . ?
C12 Ru1 C13 C14 117.87(14) . . . . ?
C11 Ru1 C13 C14 80.21(11) . . . . ?
C15 Ru1 C13 C14 37.43(10) . . . . ?
C2 Ru1 C13 C14 -154.80(10) . . . . ?
C1 Ru1 C13 C14 170.76(11) . . . . ?
C3 Ru1 C13 C14 -116.34(10) . . . . ?
C3A Ru1 C13 C14 -78.63(11) . . . . ?
C3A1 Ru1 C13 C14 -45.21(16) . . . . ?
C11 Ru1 C13 C12 -37.66(10) . . . . ?
C15 Ru1 C13 C12 -80.44(11) . . . . ?
C14 Ru1 C13 C12 -117.87(14) . . . . ?
C2 Ru1 C13 C12 87.33(12) . . . . ?
C1 Ru1 C13 C12 52.89(15) . . . . ?
C3 Ru1 C13 C12 125.79(11) . . . . ?
C3A Ru1 C13 C12 163.50(10) . . . . ?
C3A1 Ru1 C13 C12 -163.08(11) . . . . ?
C12 Ru1 C13 C18 -120.4(2) . . . . ?
C11 Ru1 C13 C18 -158.01(19) . . . . ?
C15 Ru1 C13 C18 159.20(18) . . . . ?
C14 Ru1 C13 C18 121.8(2) . . . . ?
C2 Ru1 C13 C18 -33.03(18) . . . . ?
C1 Ru1 C13 C18 -67.5(2) . . . . ?
C3 Ru1 C13 C18 5.44(18) . . . . ?
C3A Ru1 C13 C18 43.14(18) . . . . ?
C3A1 Ru1 C13 C18 76.6(2) . . . . ?
C12 C13 C14 C15 0.08(19) . . . . ?
C18 C13 C14 C15 178.34(17) . . . . ?
Ru1 C13 C14 C15 -61.12(12) . . . . ?
C12 C13 C14 C19 -179.85(16) . . . . ?
C18 C13 C14 C19 -1.6(3) . . . . ?
Ru1 C13 C14 C19 118.95(17) . . . . ?
C12 C13 C14 Ru1 61.20(12) . . . . ?
C18 C13 C14 Ru1 -120.54(18) . . . . ?
C12 Ru1 C14 C13 -37.78(10) . . . . ?
C11 Ru1 C14 C13 -80.62(11) . . . . ?
C15 Ru1 C14 C13 -118.10(14) . . . . ?
C2 Ru1 C14 C13 45.79(17) . . . . ?
C3 Ru1 C14 C13 79.16(11) . . . . ?
C3A Ru1 C14 C13 116.87(10) . . . . ?
C10A Ru1 C14 C13 -170.55(10) . . . . ?
C3A1 Ru1 C14 C13 155.29(10) . . . . ?
C12 Ru1 C14 C15 80.32(11) . . . . ?
C13 Ru1 C14 C15 118.10(14) . . . . ?
C11 Ru1 C14 C15 37.47(10) . . . . ?
C2 Ru1 C14 C15 163.89(12) . . . . ?
C3 Ru1 C14 C15 -162.75(10) . . . . ?
C3A Ru1 C14 C15 -125.03(10) . . . . ?
C10A Ru1 C14 C15 -52.45(15) . . . . ?
C3A1 Ru1 C14 C15 -86.61(11) . . . . ?
C12 Ru1 C14 C19 -158.86(17) . . . . ?
C13 Ru1 C14 C19 -121.08(19) . . . . ?
C11 Ru1 C14 C19 158.30(17) . . . . ?
C15 Ru1 C14 C19 120.82(19) . . . . ?
C2 Ru1 C14 C19 -75.3(2) . . . . ?
C3 Ru1 C14 C19 -41.92(17) . . . . ?
C3A Ru1 C14 C19 -4.21(16) . . . . ?
C10A Ru1 C14 C19 68.37(18) . . . . ?
C3A1 Ru1 C14 C19 34.21(17) . . . . ?
C12 C11 C15 C14 0.3(2) . . . . ?
C16 C11 C15 C14 -177.04(18) . . . . ?
Ru1 C11 C15 C14 61.23(12) . . . . ?
C12 C11 C15 C20 178.87(17) . . . . ?
C16 C11 C15 C20 1.5(3) . . . . ?
Ru1 C11 C15 C20 -120.22(18) . . . . ?
C12 C11 C15 Ru1 -60.91(12) . . . . ?
C16 C11 C15 Ru1 121.7(2) . . . . ?
C13 C14 C15 C11 -0.24(19) . . . . ?
C19 C14 C15 C11 179.69(16) . . . . ?
Ru1 C14 C15 C11 -61.13(12) . . . . ?
C13 C14 C15 C20 -178.80(17) . . . . ?
C19 C14 C15 C20 1.1(3) . . . . ?
Ru1 C14 C15 C20 120.31(18) . . . . ?
C13 C14 C15 Ru1 60.89(12) . . . . ?
C19 C14 C15 Ru1 -119.18(17) . . . . ?
C12 Ru1 C15 C11 37.42(11) . . . . ?
C13 Ru1 C15 C11 80.57(11) . . . . ?
C14 Ru1 C15 C11 118.04(15) . . . . ?
C2 Ru1 C15 C11 -10.9(4) . . . . ?
C1 Ru1 C15 C11 -58.89(14) . . . . ?
C3 Ru1 C15 C11 153.97(14) . . . . ?
C3A Ru1 C15 C11 -170.54(10) . . . . ?
C10A Ru1 C15 C11 -94.00(11) . . . . ?
C3A1 Ru1 C15 C11 -133.04(11) . . . . ?
C12 Ru1 C15 C14 -80.63(11) . . . . ?
C13 Ru1 C15 C14 -37.47(10) . . . . ?
C11 Ru1 C15 C14 -118.04(15) . . . . ?
C2 Ru1 C15 C14 -128.9(3) . . . . ?
C1 Ru1 C15 C14 -176.93(10) . . . . ?
C3 Ru1 C15 C14 35.9(2) . . . . ?
C3A Ru1 C15 C14 71.42(12) . . . . ?
C10A Ru1 C15 C14 147.96(10) . . . . ?
C3A1 Ru1 C15 C14 108.91(10) . . . . ?
C12 Ru1 C15 C20 158.36(18) . . . . ?
C13 Ru1 C15 C20 -158.49(18) . . . . ?
C11 Ru1 C15 C20 120.9(2) . . . . ?
C14 Ru1 C15 C20 -121.0(2) . . . . ?
C2 Ru1 C15 C20 110.1(4) . . . . ?
C1 Ru1 C15 C20 62.05(19) . . . . ?
C3 Ru1 C15 C20 -85.1(2) . . . . ?
C3A Ru1 C15 C20 -49.60(18) . . . . ?
C10A Ru1 C15 C20 26.94(18) . . . . ?
C3A1 Ru1 C15 C20 -12.10(17) . . . . ?
C12 Ru1 C10A C1 62.67(15) . . . . ?
C11 Ru1 C10A C1 97.35(12) . . . . ?
C15 Ru1 C10A C1 138.59(11) . . . . ?
C14 Ru1 C10A C1 170.80(11) . . . . ?
C2 Ru1 C10A C1 -29.46(11) . . . . ?
C3 Ru1 C10A C1 -66.18(12) . . . . ?
C3A Ru1 C10A C1 -102.89(12) . . . . ?
C3A1 Ru1 C10A C1 -131.55(16) . . . . ?
C12 Ru1 C10A C3A1 -165.78(10) . . . . ?
C11 Ru1 C10A C3A1 -131.10(10) . . . . ?
C15 Ru1 C10A C3A1 -89.86(11) . . . . ?
C14 Ru1 C10A C3A1 -57.65(14) . . . . ?
C2 Ru1 C10A C3A1 102.09(11) . . . . ?
C1 Ru1 C10A C3A1 131.55(16) . . . . ?
C3 Ru1 C10A C3A1 65.37(10) . . . . ?
C3A Ru1 C10A C3A1 28.65(10) . . . . ?
C12 Ru1 C10A C10 -53.5(2) . . . . ?
C11 Ru1 C10A C10 -18.83(18) . . . . ?
C15 Ru1 C10A C10 22.40(19) . . . . ?
C14 Ru1 C10A C10 54.6(2) . . . . ?
C2 Ru1 C10A C10 -145.65(19) . . . . ?
C1 Ru1 C10A C10 -116.2(2) . . . . ?
C3 Ru1 C10A C10 177.64(18) . . . . ?
C3A Ru1 C10A C10 140.92(18) . . . . ?
C3A1 Ru1 C10A C10 112.3(2) . . . . ?
C3A1 C10A C1 C2 1.0(3) . . . . ?
C10 C10A C1 C2 178.44(17) . . . . ?
Ru1 C10A C1 C2 55.50(16) . . . . ?
C3A1 C10A C1 Ru1 -54.51(15) . . . . ?
C10 C10A C1 Ru1 122.94(17) . . . . ?
C12 Ru1 C1 C2 90.49(12) . . . . ?
C13 Ru1 C1 C2 57.83(16) . . . . ?
C11 Ru1 C1 C2 131.84(11) . . . . ?
C15 Ru1 C1 C2 166.36(11) . . . . ?
C3 Ru1 C1 C2 -28.79(11) . . . . ?
C3A Ru1 C1 C2 -65.56(11) . . . . ?
C10A Ru1 C1 C2 -131.58(17) . . . . ?
C3A1 Ru1 C1 C2 -102.25(12) . . . . ?
C12 Ru1 C1 C10A -137.92(11) . . . . ?
C13 Ru1 C1 C10A -170.58(10) . . . . ?
C11 Ru1 C1 C10A -96.57(12) . . . . ?
C15 Ru1 C1 C10A -62.05(15) . . . . ?
C2 Ru1 C1 C10A 131.58(17) . . . . ?
C3 Ru1 C1 C10A 102.80(12) . . . . ?
C3A Ru1 C1 C10A 66.03(11) . . . . ?
C3A1 Ru1 C1 C10A 29.34(10) . . . . ?
C10A C1 C2 C3 -2.3(3) . . . . ?
Ru1 C1 C2 C3 54.05(16) . . . . ?
C10A C1 C2 Ru1 -56.34(16) . . . . ?
C12 Ru1 C2 C3 123.82(11) . . . . ?
C13 Ru1 C2 C3 82.73(12) . . . . ?
C11 Ru1 C2 C3 160.02(11) . . . . ?
C15 Ru1 C2 C3 168.9(3) . . . . ?
C14 Ru1 C2 C3 53.16(17) . . . . ?
C1 Ru1 C2 C3 -132.67(16) . . . . ?
C3A Ru1 C2 C3 -29.43(10) . . . . ?
C10A Ru1 C2 C3 -103.32(12) . . . . ?
C3A1 Ru1 C2 C3 -66.51(11) . . . . ?
C12 Ru1 C2 C1 -103.51(12) . . . . ?
C13 Ru1 C2 C1 -144.61(11) . . . . ?
C11 Ru1 C2 C1 -67.32(14) . . . . ?
C15 Ru1 C2 C1 -58.4(4) . . . . ?
C14 Ru1 C2 C1 -174.17(11) . . . . ?
C3 Ru1 C2 C1 132.67(16) . . . . ?
C3A Ru1 C2 C1 103.23(12) . . . . ?
C10A Ru1 C2 C1 29.35(11) . . . . ?
C3A1 Ru1 C2 C1 66.16(11) . . . . ?
C1 C2 C3 C3A 2.2(3) . . . . ?
Ru1 C2 C3 C3A 56.25(15) . . . . ?
C1 C2 C3 Ru1 -54.03(16) . . . . ?
C12 Ru1 C3 C2 -73.29(13) . . . . ?
C13 Ru1 C3 C2 -111.27(11) . . . . ?
C11 Ru1 C3 C2 -56.0(3) . . . . ?
C15 Ru1 C3 C2 -175.24(14) . . . . ?
C14 Ru1 C3 C2 -150.70(11) . . . . ?
C1 Ru1 C3 C2 28.82(11) . . . . ?
C3A Ru1 C3 C2 131.50(16) . . . . ?
C10A Ru1 C3 C2 65.51(11) . . . . ?
C3A1 Ru1 C3 C2 101.96(12) . . . . ?
C12 Ru1 C3 C3A 155.21(10) . . . . ?
C13 Ru1 C3 C3A 117.24(11) . . . . ?
C11 Ru1 C3 C3A 172.54(19) . . . . ?
C15 Ru1 C3 C3A 53.26(19) . . . . ?
C14 Ru1 C3 C3A 77.81(12) . . . . ?
C2 Ru1 C3 C3A -131.50(16) . . . . ?
C1 Ru1 C3 C3A -102.68(12) . . . . ?
C10A Ru1 C3 C3A -65.98(11) . . . . ?
C3A1 Ru1 C3 C3A -29.53(10) . . . . ?
C2 C3 C3A C3A1 -0.9(3) . . . . ?
Ru1 C3 C3A C3A1 54.62(14) . . . . ?
C2 C3 C3A C4 -179.06(16) . . . . ?
Ru1 C3 C3A C4 -123.59(16) . . . . ?
C2 C3 C3A Ru1 -55.47(15) . . . . ?
C12 Ru1 C3A C3 -53.3(2) . . . . ?
C13 Ru1 C3A C3 -77.62(12) . . . . ?
C11 Ru1 C3A C3 -172.88(18) . . . . ?
C15 Ru1 C3A C3 -154.68(11) . . . . ?
C14 Ru1 C3A C3 -116.94(11) . . . . ?
C2 Ru1 C3A C3 29.48(11) . . . . ?
C1 Ru1 C3A C3 66.26(11) . . . . ?
C10A Ru1 C3A C3 102.94(12) . . . . ?
C3A1 Ru1 C3A C3 131.42(15) . . . . ?
C12 Ru1 C3A C3A1 175.30(14) . . . . ?
C13 Ru1 C3A C3A1 150.96(10) . . . . ?
C11 Ru1 C3A C3A1 55.7(2) . . . . ?
C15 Ru1 C3A C3A1 73.90(12) . . . . ?
C14 Ru1 C3A C3A1 111.64(10) . . . . ?
C2 Ru1 C3A C3A1 -101.94(11) . . . . ?
C1 Ru1 C3A C3A1 -65.16(11) . . . . ?
C3 Ru1 C3A C3A1 -131.42(15) . . . . ?
C10A Ru1 C3A C3A1 -28.47(10) . . . . ?
C12 Ru1 C3A C4 62.9(2) . . . . ?
C13 Ru1 C3A C4 38.53(18) . . . . ?
C11 Ru1 C3A C4 -56.7(3) . . . . ?
C15 Ru1 C3A C4 -38.52(18) . . . . ?
C14 Ru1 C3A C4 -0.79(17) . . . . ?
C2 Ru1 C3A C4 145.63(18) . . . . ?
C1 Ru1 C3A C4 -177.59(17) . . . . ?
C3 Ru1 C3A C4 116.2(2) . . . . ?
C10A Ru1 C3A C4 -140.90(17) . . . . ?
C3A1 Ru1 C3A C4 -112.4(2) . . . . ?
C1 C10A C3A1 C5A1 178.29(16) . . . . ?
C10 C10A C3A1 C5A1 0.7(2) . . . . ?
Ru1 C10A C3A1 C5A1 124.83(15) . . . . ?
C1 C10A C3A1 C3A 0.4(2) . . . . ?
C10 C10A C3A1 C3A -177.20(16) . . . . ?
Ru1 C10A C3A1 C3A -53.09(14) . . . . ?
C1 C10A C3A1 Ru1 53.45(15) . . . . ?
C10 C10A C3A1 Ru1 -124.11(16) . . . . ?
C3 C3A C3A1 C10A -0.4(2) . . . . ?
C4 C3A C3A1 C10A 177.85(15) . . . . ?
Ru1 C3A C3A1 C10A 53.19(14) . . . . ?
C3 C3A C3A1 C5A1 -178.36(15) . . . . ?
C4 C3A C3A1 C5A1 -0.1(2) . . . . ?
Ru1 C3A C3A1 C5A1 -124.74(15) . . . . ?
C3 C3A C3A1 Ru1 -53.62(14) . . . . ?
C4 C3A C3A1 Ru1 124.66(15) . . . . ?
C12 Ru1 C3A1 C10A 57.0(3) . . . . ?
C13 Ru1 C3A1 C10A 173.91(11) . . . . ?
C11 Ru1 C3A1 C10A 67.64(13) . . . . ?
C15 Ru1 C3A1 C10A 103.99(11) . . . . ?
C14 Ru1 C3A1 C10A 144.63(10) . . . . ?
C2 Ru1 C3A1 C10A -66.48(11) . . . . ?
C1 Ru1 C3A1 C10A -29.43(11) . . . . ?
C3 Ru1 C3A1 C10A -103.54(11) . . . . ?
C3A Ru1 C3A1 C10A -133.01(15) . . . . ?
C12 Ru1 C3A1 C5A1 -56.8(4) . . . . ?
C13 Ru1 C3A1 C5A1 60.2(2) . . . . ?
C11 Ru1 C3A1 C5A1 -46.10(19) . . . . ?
C15 Ru1 C3A1 C5A1 -9.75(17) . . . . ?
C14 Ru1 C3A1 C5A1 30.89(17) . . . . ?
C2 Ru1 C3A1 C5A1 179.78(17) . . . . ?
C1 Ru1 C3A1 C5A1 -143.17(17) . . . . ?
C3 Ru1 C3A1 C5A1 142.72(17) . . . . ?
C3A Ru1 C3A1 C5A1 113.25(19) . . . . ?
C10A Ru1 C3A1 C5A1 -113.74(19) . . . . ?
C12 Ru1 C3A1 C3A -170.0(3) . . . . ?
C13 Ru1 C3A1 C3A -53.08(16) . . . . ?
C11 Ru1 C3A1 C3A -159.35(10) . . . . ?
C15 Ru1 C3A1 C3A -123.00(10) . . . . ?
C14 Ru1 C3A1 C3A -82.36(11) . . . . ?
C2 Ru1 C3A1 C3A 66.53(11) . . . . ?
C1 Ru1 C3A1 C3A 103.58(11) . . . . ?
C3 Ru1 C3A1 C3A 29.47(10) . . . . ?
C10A Ru1 C3A1 C3A 133.01(15) . . . . ?
C3 C3A C4 C5 179.02(17) . . . . ?
C3A1 C3A C4 C5 0.8(3) . . . . ?
Ru1 C3A C4 C5 89.8(2) . . . . ?
C3A C4 C5 C5A -0.4(3) . . . . ?
C4 C5 C5A C6 179.15(18) . . . . ?
C4 C5 C5A C5A1 -0.7(3) . . . . ?
C6 C5A C5A1 C8A 0.7(3) . . . . ?
C5 C5A C5A1 C8A -179.45(16) . . . . ?
C6 C5A C5A1 C3A1 -178.45(16) . . . . ?
C5 C5A C5A1 C3A1 1.4(2) . . . . ?
C10A C3A1 C5A1 C5A -178.97(15) . . . . ?
C3A C3A1 C5A1 C5A -1.0(2) . . . . ?
Ru1 C3A1 C5A1 C5A -89.74(19) . . . . ?
C10A C3A1 C5A1 C8A 1.9(2) . . . . ?
C3A C3A1 C5A1 C8A 179.84(15) . . . . ?
Ru1 C3A1 C5A1 C8A 91.13(19) . . . . ?
C5A1 C5A C6 C7 0.2(3) . . . . ?
C5 C5A C6 C7 -179.70(17) . . . . ?
C5A C6 C7 C8 -0.9(3) . . . . ?
C6 C7 C8 C8A 0.9(3) . . . . ?
C7 C8 C8A C5A1 0.0(3) . . . . ?
C7 C8 C8A C9 -178.80(18) . . . . ?
C5A C5A1 C8A C8 -0.7(2) . . . . ?
C3A1 C5A1 C8A C8 178.39(16) . . . . ?
C5A C5A1 C8A C9 178.07(16) . . . . ?
C3A1 C5A1 C8A C9 -2.8(2) . . . . ?
C8 C8A C9 C10 179.80(18) . . . . ?
C5A1 C8A C9 C10 1.0(3) . . . . ?
C8A C9 C10 C10A 1.7(3) . . . . ?
C1 C10A C10 C9 179.98(18) . . . . ?
C3A1 C10A C10 C9 -2.5(3) . . . . ?
Ru1 C10A C10 C9 -91.2(2) . . . . ?
_database_code_depnum_ccdc_archive 'CCDC 1002569'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_ANDRES03_3A


#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C26 H25 Ru, F6 P'
_chemical_formula_sum            'C26 H25 F6 P Ru'
_chemical_formula_weight         583.5
_chemical_compound_source        'synthesis as described'

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_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_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.4940(4)
_cell_length_b                   11.0658(6)
_cell_length_c                   12.6900(7)
_cell_angle_alpha                84.451(3)
_cell_angle_beta                 88.341(3)
_cell_angle_gamma                78.305(3)
_cell_volume                     1162.48(11)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9121
_cell_measurement_theta_min      2.37
_cell_measurement_theta_max      27.42
_cell_measurement_wavelength     0.71073

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             588
_exptl_special_details           
;
 ?
;

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    0.804
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_absorpt_correction_T_min  0.701
_exptl_absorpt_correction_T_max  0.886


#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thin slices'
_diffrn_detector                 'CCD plate'
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_unetI/netI     0.0364
_diffrn_reflns_number            14688
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_theta_min         2.92
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_full        25
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.979
_reflns_number_total             5205
_reflns_number_gt                4730
_reflns_threshold_expression     >2sigma(I)

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker SAINT (Bruker, 2002)'
_computing_cell_refinement       'Bruker SMART (Bruker, 2002)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2002)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  
;
           WinGX publication routines (Farrugia, 2012),
           CRYSCAL (T. Roisnel, local program)
;

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0408P)²+19.3355P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         5205
_refine_ls_number_parameters     312
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.103
_refine_ls_R_factor_gt           0.0953
_refine_ls_wR_factor_ref         0.2389
_refine_ls_wR_factor_gt          0.2348
_refine_ls_goodness_of_fit_ref   1.253
_refine_ls_restrained_S_all      1.253
_refine_ls_shift/su_max          0.017
_refine_ls_shift/su_mean         0
_refine_diff_density_max         3.521
_refine_diff_density_min         -2.465
_refine_diff_density_rms         0.189

# End of res file
#----------------------------------------------------------------------------#

#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'


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 0.82114(9) 0.25470(7) 0.68509(6) 0.0277(2) Uani 1 1 d . . .
C11 C 0.7364(12) 0.1706(9) 0.8340(8) 0.036(2) Uani 1 1 d . . .
C12 C 0.7060(12) 0.1047(9) 0.7481(8) 0.039(2) Uani 1 1 d . . .
C13 C 0.6004(12) 0.1862(9) 0.6761(7) 0.034(2) Uani 1 1 d . . .
C14 C 0.5646(10) 0.3053(9) 0.7154(8) 0.034(2) Uani 1 1 d . . .
C15 C 0.6493(11) 0.2938(9) 0.8132(7) 0.0320(19) Uani 1 1 d . . .
C16 C 0.8376(15) 0.1208(13) 0.9291(9) 0.059(3) Uani 1 1 d . . .
H16A H 0.8838 0.1871 0.954 0.089 Uiso 1 1 calc R . .
H16B H 0.9244 0.0533 0.9102 0.089 Uiso 1 1 calc R . .
H16C H 0.771 0.0895 0.9854 0.089 Uiso 1 1 calc R . .
C17 C 0.7694(17) -0.0328(11) 0.7392(12) 0.064(4) Uani 1 1 d . . .
H17A H 0.689 -0.0798 0.7677 0.096 Uiso 1 1 calc R . .
H17B H 0.869 -0.0601 0.7794 0.096 Uiso 1 1 calc R . .
H17C H 0.7909 -0.047 0.6646 0.096 Uiso 1 1 calc R . .
C18 C 0.5302(15) 0.1517(14) 0.5785(9) 0.059(3) Uani 1 1 d . . .
H18A H 0.6049 0.0826 0.55 0.089 Uiso 1 1 calc R . .
H18B H 0.5121 0.2231 0.5251 0.089 Uiso 1 1 calc R . .
H18C H 0.4277 0.1267 0.5966 0.089 Uiso 1 1 calc R . .
C19 C 0.4548(13) 0.4170(11) 0.6622(11) 0.059(3) Uani 1 1 d . . .
H19A H 0.471 0.4187 0.5853 0.088 Uiso 1 1 calc R . .
H19B H 0.4792 0.4924 0.6869 0.088 Uiso 1 1 calc R . .
H19C H 0.3428 0.4128 0.6796 0.088 Uiso 1 1 calc R . .
C20 C 0.6394(17) 0.4003(12) 0.8820(11) 0.062(4) Uani 1 1 d . . .
H20A H 0.731 0.3826 0.9301 0.093 Uiso 1 1 calc R . .
H20B H 0.539 0.4101 0.9233 0.093 Uiso 1 1 calc R . .
H20C H 0.6417 0.477 0.8368 0.093 Uiso 1 1 calc R . .
C10B C 1.0814(10) 0.2580(8) 0.7074(7) 0.0288(18) Uani 1 1 d . . .
C1 C 1.0710(12) 0.1719(10) 0.6342(8) 0.039(2) Uani 1 1 d . . .
H1 H 1.1281 0.0885 0.6447 0.046 Uiso 1 1 calc R . .
C2 C 0.9716(13) 0.2143(11) 0.5437(8) 0.043(2) Uani 1 1 d . . .
H2 H 0.9648 0.1584 0.4925 0.052 Uiso 1 1 calc R . .
C3 C 0.8828(12) 0.3381(10) 0.5285(7) 0.037(2) Uani 1 1 d . . .
H3 H 0.8135 0.3626 0.4694 0.045 Uiso 1 1 calc R . .
C3A C 0.8969(11) 0.4259(9) 0.6012(7) 0.0326(19) Uani 1 1 d . . .
C3A1 C 0.9977(10) 0.3818(8) 0.6883(7) 0.0280(17) Uani 1 1 d . . .
C4 C 0.8142(13) 0.5536(10) 0.5995(9) 0.044(2) Uani 1 1 d . . .
H4 H 0.7424 0.5893 0.5437 0.053 Uiso 1 1 calc R . .
C5 C 0.8392(13) 0.6226(10) 0.6779(10) 0.048(3) Uani 1 1 d . . .
H5 H 0.7836 0.7065 0.6748 0.058 Uiso 1 1 calc R . .
C6 C 0.9443(13) 0.5765(9) 0.7647(9) 0.041(2) Uani 1 1 d . . .
H6 H 0.96 0.6288 0.8168 0.05 Uiso 1 1 calc R . .
C6A C 1.0212(11) 0.4561(9) 0.7709(8) 0.0327(19) Uani 1 1 d . . .
C6B C 1.1290(11) 0.3714(9) 0.8464(8) 0.0334(19) Uani 1 1 d . . .
C7 C 1.1912(12) 0.3931(10) 0.9411(9) 0.044(2) Uani 1 1 d . . .
H7 H 1.1649 0.4724 0.9674 0.053 Uiso 1 1 calc R . .
C8 C 1.2954(14) 0.2930(12) 0.9974(9) 0.050(3) Uani 1 1 d . . .
H8 H 1.3411 0.3057 1.0618 0.06 Uiso 1 1 calc R . .
C9 C 1.3314(12) 0.1783(10) 0.9606(8) 0.041(2) Uani 1 1 d . . .
H9 H 1.4014 0.1127 1 0.05 Uiso 1 1 calc R . .
C10 C 1.2671(12) 0.1563(10) 0.8665(8) 0.040(2) Uani 1 1 d . . .
H10 H 1.2923 0.0765 0.8413 0.048 Uiso 1 1 calc R . .
C10A C 1.1661(11) 0.2527(9) 0.8104(8) 0.0332(19) Uani 1 1 d . . .
P3 P 0.3181(3) 0.7938(3) 0.7521(2) 0.0424(6) Uani 1 1 d . . .
F31 F 0.309(2) 0.6846(10) 0.8338(10) 0.166(7) Uani 1 1 d . . .
F32 F 0.4634(18) 0.7213(11) 0.6976(15) 0.190(9) Uani 1 1 d . . .
F33 F 0.211(2) 0.752(2) 0.6805(12) 0.197(8) Uani 1 1 d . . .
F34 F 0.334(2) 0.9087(9) 0.6755(10) 0.159(7) Uani 1 1 d . . .
F35 F 0.1698(13) 0.8744(10) 0.8078(8) 0.098(3) Uani 1 1 d . . .
F36 F 0.4164(16) 0.8456(14) 0.8344(14) 0.160(6) Uani 1 1 d . . .





#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C15 2.168(9) . ?
Ru1 C12 2.170(9) . ?
Ru1 C13 2.170(9) . ?
Ru1 C14 2.170(9) . ?
Ru1 C11 2.193(9) . ?
Ru1 C2 2.201(10) . ?
Ru1 C3 2.204(9) . ?
Ru1 C1 2.238(10) . ?
Ru1 C10B 2.245(8) . ?
Ru1 C3A1 2.258(8) . ?
Ru1 C3A 2.281(9) . ?
C11 C15 1.417(14) . ?
C11 C12 1.426(14) . ?
C11 C16 1.496(13) . ?
C12 C13 1.418(15) . ?
C12 C17 1.521(15) . ?
C13 C14 1.427(14) . ?
C13 C18 1.505(13) . ?
C14 C15 1.434(13) . ?
C14 C19 1.504(14) . ?
C15 C20 1.521(13) . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
C17 H17A 0.98 . ?
C17 H17B 0.98 . ?
C17 H17C 0.98 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 H19A 0.98 . ?
C19 H19B 0.98 . ?
C19 H19C 0.98 . ?
C20 H20A 0.98 . ?
C20 H20B 0.98 . ?
C20 H20C 0.98 . ?
C10B C1 1.411(13) . ?
C10B C3A1 1.411(12) . ?
C10B C10A 1.500(13) . ?
C1 C2 1.429(15) . ?
C1 H1 0.95 . ?
C2 C3 1.422(16) . ?
C2 H2 0.95 . ?
C3 C3A 1.427(14) . ?
C3 H3 0.95 . ?
C3A C3A1 1.405(13) . ?
C3A C4 1.443(14) . ?
C3A1 C6A 1.435(12) . ?
C4 C5 1.358(16) . ?
C4 H4 0.95 . ?
C5 C6 1.426(16) . ?
C5 H5 0.95 . ?
C6 C6A 1.356(14) . ?
C6 H6 0.95 . ?
C6A C6B 1.470(14) . ?
C6B C7 1.388(14) . ?
C6B C10A 1.405(14) . ?
C7 C8 1.416(16) . ?
C7 H7 0.95 . ?
C8 C9 1.368(16) . ?
C8 H8 0.95 . ?
C9 C10 1.390(14) . ?
C9 H9 0.95 . ?
C10 C10A 1.378(14) . ?
C10 H10 0.95 . ?
P3 F33 1.476(11) . ?
P3 F32 1.516(11) . ?
P3 F31 1.527(10) . ?
P3 F34 1.550(10) . ?
P3 F36 1.574(12) . ?
P3 F35 1.581(9) . ?


loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C15 Ru1 C12 63.4(3) . . ?
C15 Ru1 C13 63.8(3) . . ?
C12 Ru1 C13 38.1(4) . . ?
C15 Ru1 C14 38.6(4) . . ?
C12 Ru1 C14 64.2(4) . . ?
C13 Ru1 C14 38.4(4) . . ?
C15 Ru1 C11 37.9(4) . . ?
C12 Ru1 C11 38.2(4) . . ?
C13 Ru1 C11 64.1(3) . . ?
C14 Ru1 C11 64.6(4) . . ?
C15 Ru1 C2 173.4(4) . . ?
C12 Ru1 C2 114.1(4) . . ?
C13 Ru1 C2 110.2(3) . . ?
C14 Ru1 C2 134.9(4) . . ?
C11 Ru1 C2 143.6(4) . . ?
C15 Ru1 C3 139.8(4) . . ?
C12 Ru1 C3 137.6(4) . . ?
C13 Ru1 C3 110.1(4) . . ?
C14 Ru1 C3 110.6(4) . . ?
C11 Ru1 C3 174.2(4) . . ?
C2 Ru1 C3 37.7(4) . . ?
C15 Ru1 C1 148.3(4) . . ?
C12 Ru1 C1 108.0(4) . . ?
C13 Ru1 C1 129.7(4) . . ?
C14 Ru1 C1 167.8(4) . . ?
C11 Ru1 C1 115.9(4) . . ?
C2 Ru1 C1 37.6(4) . . ?
C3 Ru1 C1 68.2(4) . . ?
C15 Ru1 C10B 120.3(3) . . ?
C12 Ru1 C10B 124.3(4) . . ?
C13 Ru1 C10B 160.9(3) . . ?
C14 Ru1 C10B 155.4(3) . . ?
C11 Ru1 C10B 106.7(3) . . ?
C2 Ru1 C10B 66.3(3) . . ?
C3 Ru1 C10B 79.0(4) . . ?
C1 Ru1 C10B 36.7(3) . . ?
C15 Ru1 C3A1 107.9(3) . . ?
C12 Ru1 C3A1 154.4(4) . . ?
C13 Ru1 C3A1 162.5(4) . . ?
C14 Ru1 C3A1 125.5(3) . . ?
C11 Ru1 C3A1 119.9(3) . . ?
C2 Ru1 C3A1 77.0(3) . . ?
C3 Ru1 C3A1 65.3(3) . . ?
C1 Ru1 C3A1 65.7(3) . . ?
C10B Ru1 C3A1 36.5(3) . . ?
C15 Ru1 C3A 114.2(3) . . ?
C12 Ru1 C3A 168.9(4) . . ?
C13 Ru1 C3A 130.7(4) . . ?
C14 Ru1 C3A 106.8(3) . . ?
C11 Ru1 C3A 145.8(4) . . ?
C2 Ru1 C3A 67.0(4) . . ?
C3 Ru1 C3A 37.1(4) . . ?
C1 Ru1 C3A 79.7(4) . . ?
C10B Ru1 C3A 66.6(3) . . ?
C3A1 Ru1 C3A 36.1(3) . . ?
C15 C11 C12 106.6(8) . . ?
C15 C11 C16 126.0(10) . . ?
C12 C11 C16 127.5(11) . . ?
C15 C11 Ru1 70.1(5) . . ?
C12 C11 Ru1 70.0(5) . . ?
C16 C11 Ru1 125.5(7) . . ?
C13 C12 C11 109.0(9) . . ?
C13 C12 C17 125.8(10) . . ?
C11 C12 C17 125.1(11) . . ?
C13 C12 Ru1 70.9(5) . . ?
C11 C12 Ru1 71.8(5) . . ?
C17 C12 Ru1 126.1(7) . . ?
C12 C13 C14 108.3(8) . . ?
C12 C13 C18 126.1(10) . . ?
C14 C13 C18 125.6(10) . . ?
C12 C13 Ru1 70.9(5) . . ?
C14 C13 Ru1 70.8(5) . . ?
C18 C13 Ru1 126.7(7) . . ?
C13 C14 C15 106.5(8) . . ?
C13 C14 C19 124.6(10) . . ?
C15 C14 C19 128.9(10) . . ?
C13 C14 Ru1 70.8(5) . . ?
C15 C14 Ru1 70.6(5) . . ?
C19 C14 Ru1 124.6(7) . . ?
C11 C15 C14 109.6(8) . . ?
C11 C15 C20 127.3(10) . . ?
C14 C15 C20 123.1(10) . . ?
C11 C15 Ru1 72.0(5) . . ?
C14 C15 Ru1 70.8(5) . . ?
C20 C15 Ru1 124.7(7) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C1 C10B C3A1 119.7(9) . . ?
C1 C10B C10A 135.0(9) . . ?
C3A1 C10B C10A 105.3(8) . . ?
C1 C10B Ru1 71.4(5) . . ?
C3A1 C10B Ru1 72.2(5) . . ?
C10A C10B Ru1 127.1(6) . . ?
C10B C1 C2 117.7(10) . . ?
C10B C1 Ru1 71.9(5) . . ?
C2 C1 Ru1 69.8(6) . . ?
C10B C1 H1 121.1 . . ?
C2 C1 H1 121.1 . . ?
Ru1 C1 H1 129.3 . . ?
C3 C2 C1 121.6(9) . . ?
C3 C2 Ru1 71.3(6) . . ?
C1 C2 Ru1 72.6(6) . . ?
C3 C2 H2 119.2 . . ?
C1 C2 H2 119.2 . . ?
Ru1 C2 H2 129.4 . . ?
C2 C3 C3A 120.5(9) . . ?
C2 C3 Ru1 71.1(6) . . ?
C3A C3 Ru1 74.4(5) . . ?
C2 C3 H3 119.7 . . ?
C3A C3 H3 119.7 . . ?
Ru1 C3 H3 126.7 . . ?
C3A1 C3A C3 116.4(9) . . ?
C3A1 C3A C4 115.4(9) . . ?
C3 C3A C4 128.1(10) . . ?
C3A1 C3A Ru1 71.1(5) . . ?
C3 C3A Ru1 68.5(5) . . ?
C4 C3A Ru1 128.2(6) . . ?
C3A C3A1 C10B 124.0(8) . . ?
C3A C3A1 C6A 123.8(8) . . ?
C10B C3A1 C6A 112.1(8) . . ?
C3A C3A1 Ru1 72.9(5) . . ?
C10B C3A1 Ru1 71.2(5) . . ?
C6A C3A1 Ru1 128.0(6) . . ?
C5 C4 C3A 119.8(10) . . ?
C5 C4 H4 120.1 . . ?
C3A C4 H4 120.1 . . ?
C4 C5 C6 123.8(10) . . ?
C4 C5 H5 118.1 . . ?
C6 C5 H5 118.1 . . ?
C6A C6 C5 118.4(10) . . ?
C6A C6 H6 120.8 . . ?
C5 C6 H6 120.8 . . ?
C6 C6A C3A1 118.7(9) . . ?
C6 C6A C6B 136.3(9) . . ?
C3A1 C6A C6B 105.0(8) . . ?
C7 C6B C10A 120.3(9) . . ?
C7 C6B C6A 130.1(9) . . ?
C10A C6B C6A 109.6(8) . . ?
C6B C7 C8 117.7(10) . . ?
C6B C7 H7 121.2 . . ?
C8 C7 H7 121.2 . . ?
C9 C8 C7 121.3(10) . . ?
C9 C8 H8 119.4 . . ?
C7 C8 H8 119.4 . . ?
C8 C9 C10 121.0(10) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 H9 119.5 . . ?
C10A C10 C9 118.7(10) . . ?
C10A C10 H10 120.7 . . ?
C9 C10 H10 120.7 . . ?
C10 C10A C6B 121.1(9) . . ?
C10 C10A C10B 130.9(9) . . ?
C6B C10A C10B 107.9(8) . . ?
F33 P3 F32 90.1(11) . . ?
F33 P3 F31 91.2(11) . . ?
F32 P3 F31 92.3(8) . . ?
F33 P3 F34 93.1(11) . . ?
F32 P3 F34 88.4(7) . . ?
F31 P3 F34 175.7(10) . . ?
F33 P3 F36 174.0(9) . . ?
F32 P3 F36 95.8(10) . . ?
F31 P3 F36 88.3(9) . . ?
F34 P3 F36 87.4(9) . . ?
F33 P3 F35 91.2(8) . . ?
F32 P3 F35 177.6(7) . . ?
F31 P3 F35 89.7(7) . . ?
F34 P3 F35 89.6(6) . . ?
F36 P3 F35 82.8(7) . . ?


loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C12 Ru1 C11 C15 -117.0(8) . . . . ?
C13 Ru1 C11 C15 -79.9(6) . . . . ?
C14 Ru1 C11 C15 -37.1(5) . . . . ?
C2 Ru1 C11 C15 -169.3(6) . . . . ?
C1 Ru1 C11 C15 156.5(5) . . . . ?
C10B Ru1 C11 C15 118.2(5) . . . . ?
C3A1 Ru1 C11 C15 80.8(6) . . . . ?
C3A Ru1 C11 C15 45.3(8) . . . . ?
C15 Ru1 C11 C12 117.0(8) . . . . ?
C13 Ru1 C11 C12 37.1(6) . . . . ?
C14 Ru1 C11 C12 79.9(6) . . . . ?
C2 Ru1 C11 C12 -52.3(9) . . . . ?
C1 Ru1 C11 C12 -86.5(7) . . . . ?
C10B Ru1 C11 C12 -124.8(6) . . . . ?
C3A1 Ru1 C11 C12 -162.2(6) . . . . ?
C3A Ru1 C11 C12 162.3(6) . . . . ?
C15 Ru1 C11 C16 -120.6(12) . . . . ?
C12 Ru1 C11 C16 122.4(13) . . . . ?
C13 Ru1 C11 C16 159.5(12) . . . . ?
C14 Ru1 C11 C16 -157.7(11) . . . . ?
C2 Ru1 C11 C16 70.1(12) . . . . ?
C1 Ru1 C11 C16 35.9(11) . . . . ?
C10B Ru1 C11 C16 -2.4(11) . . . . ?
C3A1 Ru1 C11 C16 -39.8(12) . . . . ?
C3A Ru1 C11 C16 -75.3(13) . . . . ?
C15 C11 C12 C13 -0.6(10) . . . . ?
C16 C11 C12 C13 178.5(9) . . . . ?
Ru1 C11 C12 C13 -61.5(6) . . . . ?
C15 C11 C12 C17 -177.3(9) . . . . ?
C16 C11 C12 C17 1.8(16) . . . . ?
Ru1 C11 C12 C17 121.8(10) . . . . ?
C15 C11 C12 Ru1 60.9(6) . . . . ?
C16 C11 C12 Ru1 -120.0(10) . . . . ?
C15 Ru1 C12 C13 80.7(6) . . . . ?
C14 Ru1 C12 C13 37.5(6) . . . . ?
C11 Ru1 C12 C13 118.5(8) . . . . ?
C2 Ru1 C12 C13 -92.5(6) . . . . ?
C3 Ru1 C12 C13 -55.3(8) . . . . ?
C1 Ru1 C12 C13 -132.3(6) . . . . ?
C10B Ru1 C12 C13 -169.3(5) . . . . ?
C3A1 Ru1 C12 C13 156.3(7) . . . . ?
C3A Ru1 C12 C13 1(2) . . . . ?
C15 Ru1 C12 C11 -37.8(6) . . . . ?
C13 Ru1 C12 C11 -118.5(8) . . . . ?
C14 Ru1 C12 C11 -81.0(6) . . . . ?
C2 Ru1 C12 C11 149.0(6) . . . . ?
C3 Ru1 C12 C11 -173.8(6) . . . . ?
C1 Ru1 C12 C11 109.2(6) . . . . ?
C10B Ru1 C12 C11 72.2(7) . . . . ?
C3A1 Ru1 C12 C11 37.9(11) . . . . ?
C3A Ru1 C12 C11 -117.9(18) . . . . ?
C15 Ru1 C12 C17 -158.3(12) . . . . ?
C13 Ru1 C12 C17 121.0(13) . . . . ?
C14 Ru1 C12 C17 158.4(12) . . . . ?
C11 Ru1 C12 C17 -120.6(13) . . . . ?
C2 Ru1 C12 C17 28.5(12) . . . . ?
C3 Ru1 C12 C17 65.7(13) . . . . ?
C1 Ru1 C12 C17 -11.4(12) . . . . ?
C10B Ru1 C12 C17 -48.4(12) . . . . ?
C3A1 Ru1 C12 C17 -82.7(13) . . . . ?
C3A Ru1 C12 C17 121.6(19) . . . . ?
C11 C12 C13 C14 0.7(10) . . . . ?
C17 C12 C13 C14 177.4(9) . . . . ?
Ru1 C12 C13 C14 -61.3(6) . . . . ?
C11 C12 C13 C18 -176.0(9) . . . . ?
C17 C12 C13 C18 0.7(16) . . . . ?
Ru1 C12 C13 C18 122.0(10) . . . . ?
C11 C12 C13 Ru1 62.0(7) . . . . ?
C17 C12 C13 Ru1 -121.3(10) . . . . ?
C15 Ru1 C13 C12 -79.5(6) . . . . ?
C14 Ru1 C13 C12 -118.1(8) . . . . ?
C11 Ru1 C13 C12 -37.1(6) . . . . ?
C2 Ru1 C13 C12 103.6(6) . . . . ?
C3 Ru1 C13 C12 143.9(6) . . . . ?
C1 Ru1 C13 C12 66.0(7) . . . . ?
C10B Ru1 C13 C12 27.8(13) . . . . ?
C3A1 Ru1 C13 C12 -144.7(10) . . . . ?
C3A Ru1 C13 C12 -179.8(5) . . . . ?
C15 Ru1 C13 C14 38.6(5) . . . . ?
C12 Ru1 C13 C14 118.1(8) . . . . ?
C11 Ru1 C13 C14 81.0(6) . . . . ?
C2 Ru1 C13 C14 -138.3(6) . . . . ?
C3 Ru1 C13 C14 -98.0(6) . . . . ?
C1 Ru1 C13 C14 -175.9(6) . . . . ?
C10B Ru1 C13 C14 146.0(9) . . . . ?
C3A1 Ru1 C13 C14 -26.6(13) . . . . ?
C3A Ru1 C13 C14 -61.7(7) . . . . ?
C15 Ru1 C13 C18 159.2(12) . . . . ?
C12 Ru1 C13 C18 -121.3(13) . . . . ?
C14 Ru1 C13 C18 120.6(13) . . . . ?
C11 Ru1 C13 C18 -158.4(12) . . . . ?
C2 Ru1 C13 C18 -17.6(12) . . . . ?
C3 Ru1 C13 C18 22.6(11) . . . . ?
C1 Ru1 C13 C18 -55.2(12) . . . . ?
C10B Ru1 C13 C18 -93.4(14) . . . . ?
C3A1 Ru1 C13 C18 94.0(14) . . . . ?
C3A Ru1 C13 C18 58.9(12) . . . . ?
C12 C13 C14 C15 -0.6(10) . . . . ?
C18 C13 C14 C15 176.1(9) . . . . ?
Ru1 C13 C14 C15 -62.0(6) . . . . ?
C12 C13 C14 C19 -179.3(9) . . . . ?
C18 C13 C14 C19 -2.6(15) . . . . ?
Ru1 C13 C14 C19 119.4(9) . . . . ?
C12 C13 C14 Ru1 61.4(6) . . . . ?
C18 C13 C14 Ru1 -121.9(10) . . . . ?
C15 Ru1 C14 C13 -116.2(8) . . . . ?
C12 Ru1 C14 C13 -37.2(6) . . . . ?
C11 Ru1 C14 C13 -79.8(6) . . . . ?
C2 Ru1 C14 C13 61.8(8) . . . . ?
C3 Ru1 C14 C13 96.8(6) . . . . ?
C1 Ru1 C14 C13 15(2) . . . . ?
C10B Ru1 C14 C13 -153.9(7) . . . . ?
C3A1 Ru1 C14 C13 170.5(5) . . . . ?
C3A Ru1 C14 C13 135.8(5) . . . . ?
C12 Ru1 C14 C15 79.0(6) . . . . ?
C13 Ru1 C14 C15 116.2(8) . . . . ?
C11 Ru1 C14 C15 36.5(5) . . . . ?
C2 Ru1 C14 C15 178.1(6) . . . . ?
C3 Ru1 C14 C15 -147.0(5) . . . . ?
C1 Ru1 C14 C15 131.4(17) . . . . ?
C10B Ru1 C14 C15 -37.6(11) . . . . ?
C3A1 Ru1 C14 C15 -73.3(6) . . . . ?
C3A Ru1 C14 C15 -108.0(5) . . . . ?
C15 Ru1 C14 C19 124.5(12) . . . . ?
C12 Ru1 C14 C19 -156.6(11) . . . . ?
C13 Ru1 C14 C19 -119.3(12) . . . . ?
C11 Ru1 C14 C19 160.9(11) . . . . ?
C2 Ru1 C14 C19 -57.5(12) . . . . ?
C3 Ru1 C14 C19 -22.5(11) . . . . ?
C1 Ru1 C14 C19 -104.1(19) . . . . ?
C10B Ru1 C14 C19 86.8(13) . . . . ?
C3A1 Ru1 C14 C19 51.2(11) . . . . ?
C3A Ru1 C14 C19 16.5(11) . . . . ?
C12 C11 C15 C14 0.2(10) . . . . ?
C16 C11 C15 C14 -178.9(9) . . . . ?
Ru1 C11 C15 C14 61.1(6) . . . . ?
C12 C11 C15 C20 178.8(9) . . . . ?
C16 C11 C15 C20 -0.3(15) . . . . ?
Ru1 C11 C15 C20 -120.3(10) . . . . ?
C12 C11 C15 Ru1 -60.9(6) . . . . ?
C16 C11 C15 Ru1 120.0(10) . . . . ?
C13 C14 C15 C11 0.3(10) . . . . ?
C19 C14 C15 C11 178.9(9) . . . . ?
Ru1 C14 C15 C11 -61.8(6) . . . . ?
C13 C14 C15 C20 -178.4(9) . . . . ?
C19 C14 C15 C20 0.2(15) . . . . ?
Ru1 C14 C15 C20 119.5(9) . . . . ?
C13 C14 C15 Ru1 62.1(6) . . . . ?
C19 C14 C15 Ru1 -119.3(10) . . . . ?
C12 Ru1 C15 C11 38.0(6) . . . . ?
C13 Ru1 C15 C11 80.8(6) . . . . ?
C14 Ru1 C15 C11 119.2(7) . . . . ?
C3 Ru1 C15 C11 171.5(6) . . . . ?
C1 Ru1 C15 C11 -43.2(9) . . . . ?
C10B Ru1 C15 C11 -78.0(6) . . . . ?
C3A1 Ru1 C15 C11 -115.9(5) . . . . ?
C3A Ru1 C15 C11 -154.0(5) . . . . ?
C12 Ru1 C15 C14 -81.2(6) . . . . ?
C13 Ru1 C15 C14 -38.4(5) . . . . ?
C11 Ru1 C15 C14 -119.2(7) . . . . ?
C3 Ru1 C15 C14 52.3(8) . . . . ?
C1 Ru1 C15 C14 -162.4(6) . . . . ?
C10B Ru1 C15 C14 162.9(5) . . . . ?
C3A1 Ru1 C15 C14 125.0(5) . . . . ?
C3A Ru1 C15 C14 86.8(6) . . . . ?
C12 Ru1 C15 C20 161.3(11) . . . . ?
C13 Ru1 C15 C20 -155.9(11) . . . . ?
C14 Ru1 C15 C20 -117.5(12) . . . . ?
C11 Ru1 C15 C20 123.3(12) . . . . ?
C3 Ru1 C15 C20 -65.2(12) . . . . ?
C1 Ru1 C15 C20 80.1(12) . . . . ?
C10B Ru1 C15 C20 45.4(11) . . . . ?
C3A1 Ru1 C15 C20 7.5(11) . . . . ?
C3A Ru1 C15 C20 -30.7(11) . . . . ?
C15 Ru1 C10B C1 149.9(6) . . . . ?
C12 Ru1 C10B C1 73.2(7) . . . . ?
C13 Ru1 C10B C1 52.7(12) . . . . ?
C14 Ru1 C10B C1 176.1(8) . . . . ?
C11 Ru1 C10B C1 111.1(6) . . . . ?
C2 Ru1 C10B C1 -30.7(6) . . . . ?
C3 Ru1 C10B C1 -68.0(6) . . . . ?
C3A1 Ru1 C10B C1 -131.0(8) . . . . ?
C3A Ru1 C10B C1 -104.7(6) . . . . ?
C15 Ru1 C10B C3A1 -79.0(6) . . . . ?
C12 Ru1 C10B C3A1 -155.8(5) . . . . ?
C13 Ru1 C10B C3A1 -176.3(9) . . . . ?
C14 Ru1 C10B C3A1 -52.8(10) . . . . ?
C11 Ru1 C10B C3A1 -117.9(5) . . . . ?
C2 Ru1 C10B C3A1 100.3(6) . . . . ?
C3 Ru1 C10B C3A1 63.0(6) . . . . ?
C1 Ru1 C10B C3A1 131.0(8) . . . . ?
C3A Ru1 C10B C3A1 26.3(5) . . . . ?
C15 Ru1 C10B C10A 17.0(9) . . . . ?
C12 Ru1 C10B C10A -59.8(9) . . . . ?
C13 Ru1 C10B C10A -80.2(13) . . . . ?
C14 Ru1 C10B C10A 43.2(13) . . . . ?
C11 Ru1 C10B C10A -21.9(9) . . . . ?
C2 Ru1 C10B C10A -163.6(9) . . . . ?
C3 Ru1 C10B C10A 159.1(8) . . . . ?
C1 Ru1 C10B C10A -132.9(11) . . . . ?
C3A1 Ru1 C10B C10A 96.0(9) . . . . ?
C3A Ru1 C10B C10A 122.3(9) . . . . ?
C3A1 C10B C1 C2 -1.3(13) . . . . ?
C10A C10B C1 C2 178.7(9) . . . . ?
Ru1 C10B C1 C2 54.5(8) . . . . ?
C3A1 C10B C1 Ru1 -55.8(7) . . . . ?
C10A C10B C1 Ru1 124.2(11) . . . . ?
C15 Ru1 C1 C10B -55.5(9) . . . . ?
C12 Ru1 C1 C10B -123.8(6) . . . . ?
C13 Ru1 C1 C10B -160.2(5) . . . . ?
C14 Ru1 C1 C10B -172.4(16) . . . . ?
C11 Ru1 C1 C10B -83.3(6) . . . . ?
C2 Ru1 C1 C10B 129.9(9) . . . . ?
C3 Ru1 C1 C10B 101.2(6) . . . . ?
C3A1 Ru1 C1 C10B 29.5(5) . . . . ?
C3A Ru1 C1 C10B 64.5(6) . . . . ?
C15 Ru1 C1 C2 174.6(6) . . . . ?
C12 Ru1 C1 C2 106.3(6) . . . . ?
C13 Ru1 C1 C2 69.9(7) . . . . ?
C14 Ru1 C1 C2 58(2) . . . . ?
C11 Ru1 C1 C2 146.8(6) . . . . ?
C3 Ru1 C1 C2 -28.6(6) . . . . ?
C10B Ru1 C1 C2 -129.9(9) . . . . ?
C3A1 Ru1 C1 C2 -100.4(6) . . . . ?
C3A Ru1 C1 C2 -65.4(6) . . . . ?
C10B C1 C2 C3 -1.5(14) . . . . ?
Ru1 C1 C2 C3 54.0(8) . . . . ?
C10B C1 C2 Ru1 -55.5(8) . . . . ?
C12 Ru1 C2 C3 138.2(6) . . . . ?
C13 Ru1 C2 C3 97.1(6) . . . . ?
C14 Ru1 C2 C3 61.4(8) . . . . ?
C11 Ru1 C2 C3 170.6(6) . . . . ?
C1 Ru1 C2 C3 -133.3(9) . . . . ?
C10B Ru1 C2 C3 -103.2(6) . . . . ?
C3A1 Ru1 C2 C3 -66.3(6) . . . . ?
C3A Ru1 C2 C3 -29.7(6) . . . . ?
C12 Ru1 C2 C1 -88.5(6) . . . . ?
C13 Ru1 C2 C1 -129.7(6) . . . . ?
C14 Ru1 C2 C1 -165.3(6) . . . . ?
C11 Ru1 C2 C1 -56.2(8) . . . . ?
C3 Ru1 C2 C1 133.3(9) . . . . ?
C10B Ru1 C2 C1 30.0(5) . . . . ?
C3A1 Ru1 C2 C1 67.0(6) . . . . ?
C3A Ru1 C2 C1 103.5(6) . . . . ?
C1 C2 C3 C3A 3.2(14) . . . . ?
Ru1 C2 C3 C3A 57.8(8) . . . . ?
C1 C2 C3 Ru1 -54.6(8) . . . . ?
C15 Ru1 C3 C2 -170.2(6) . . . . ?
C12 Ru1 C3 C2 -64.6(8) . . . . ?
C13 Ru1 C3 C2 -97.3(6) . . . . ?
C14 Ru1 C3 C2 -138.4(6) . . . . ?
C1 Ru1 C3 C2 28.6(6) . . . . ?
C10B Ru1 C3 C2 65.2(6) . . . . ?
C3A1 Ru1 C3 C2 100.9(6) . . . . ?
C3A Ru1 C3 C2 130.8(9) . . . . ?
C15 Ru1 C3 C3A 59.0(8) . . . . ?
C12 Ru1 C3 C3A 164.6(6) . . . . ?
C13 Ru1 C3 C3A 131.9(6) . . . . ?
C14 Ru1 C3 C3A 90.8(6) . . . . ?
C2 Ru1 C3 C3A -130.8(9) . . . . ?
C1 Ru1 C3 C3A -102.2(6) . . . . ?
C10B Ru1 C3 C3A -65.6(6) . . . . ?
C3A1 Ru1 C3 C3A -29.8(5) . . . . ?
C2 C3 C3A C3A1 -2.0(13) . . . . ?
Ru1 C3 C3A C3A1 54.2(7) . . . . ?
C2 C3 C3A C4 -178.6(9) . . . . ?
Ru1 C3 C3A C4 -122.4(9) . . . . ?
C2 C3 C3A Ru1 -56.2(8) . . . . ?
C15 Ru1 C3A C3A1 87.5(6) . . . . ?
C12 Ru1 C3A C3A1 162.4(17) . . . . ?
C13 Ru1 C3A C3A1 162.9(5) . . . . ?
C14 Ru1 C3A C3A1 128.1(5) . . . . ?
C11 Ru1 C3A C3A1 58.9(8) . . . . ?
C2 Ru1 C3A C3A1 -99.6(6) . . . . ?
C3 Ru1 C3A C3A1 -129.8(8) . . . . ?
C1 Ru1 C3A C3A1 -62.6(6) . . . . ?
C10B Ru1 C3A C3A1 -26.6(5) . . . . ?
C15 Ru1 C3A C3 -142.7(6) . . . . ?
C12 Ru1 C3A C3 -68(2) . . . . ?
C13 Ru1 C3A C3 -67.3(7) . . . . ?
C14 Ru1 C3A C3 -102.1(6) . . . . ?
C11 Ru1 C3A C3 -171.3(7) . . . . ?
C2 Ru1 C3A C3 30.2(6) . . . . ?
C1 Ru1 C3A C3 67.2(6) . . . . ?
C10B Ru1 C3A C3 103.2(6) . . . . ?
C3A1 Ru1 C3A C3 129.8(8) . . . . ?
C15 Ru1 C3A C4 -20.5(10) . . . . ?
C12 Ru1 C3A C4 54(2) . . . . ?
C13 Ru1 C3A C4 55.0(11) . . . . ?
C14 Ru1 C3A C4 20.1(10) . . . . ?
C11 Ru1 C3A C4 -49.1(12) . . . . ?
C2 Ru1 C3A C4 152.4(10) . . . . ?
C3 Ru1 C3A C4 122.2(12) . . . . ?
C1 Ru1 C3A C4 -170.6(10) . . . . ?
C10B Ru1 C3A C4 -134.6(10) . . . . ?
C3A1 Ru1 C3A C4 -108.0(11) . . . . ?
C3 C3A C3A1 C10B -0.8(12) . . . . ?
C4 C3A C3A1 C10B 176.2(8) . . . . ?
Ru1 C3A C3A1 C10B 52.1(8) . . . . ?
C3 C3A C3A1 C6A -177.7(8) . . . . ?
C4 C3A C3A1 C6A -0.6(12) . . . . ?
Ru1 C3A C3A1 C6A -124.7(8) . . . . ?
C3 C3A C3A1 Ru1 -53.0(7) . . . . ?
C4 C3A C3A1 Ru1 124.1(8) . . . . ?
C1 C10B C3A1 C3A 2.5(13) . . . . ?
C10A C10B C3A1 C3A -177.5(8) . . . . ?
Ru1 C10B C3A1 C3A -52.8(8) . . . . ?
C1 C10B C3A1 C6A 179.7(8) . . . . ?
C10A C10B C3A1 C6A -0.3(10) . . . . ?
Ru1 C10B C3A1 C6A 124.3(7) . . . . ?
C1 C10B C3A1 Ru1 55.3(7) . . . . ?
C10A C10B C3A1 Ru1 -124.6(6) . . . . ?
C15 Ru1 C3A1 C3A -106.7(6) . . . . ?
C12 Ru1 C3A1 C3A -172.3(8) . . . . ?
C13 Ru1 C3A1 C3A -47.8(13) . . . . ?
C14 Ru1 C3A1 C3A -67.8(6) . . . . ?
C11 Ru1 C3A1 C3A -146.3(6) . . . . ?
C2 Ru1 C3A1 C3A 68.7(6) . . . . ?
C3 Ru1 C3A1 C3A 30.6(5) . . . . ?
C1 Ru1 C3A1 C3A 106.6(6) . . . . ?
C10B Ru1 C3A1 C3A 136.3(8) . . . . ?
C15 Ru1 C3A1 C10B 117.0(5) . . . . ?
C12 Ru1 C3A1 C10B 51.5(10) . . . . ?
C13 Ru1 C3A1 C10B 175.9(10) . . . . ?
C14 Ru1 C3A1 C10B 155.9(5) . . . . ?
C11 Ru1 C3A1 C10B 77.4(6) . . . . ?
C2 Ru1 C3A1 C10B -67.6(6) . . . . ?
C3 Ru1 C3A1 C10B -105.6(6) . . . . ?
C1 Ru1 C3A1 C10B -29.6(5) . . . . ?
C3A Ru1 C3A1 C10B -136.3(8) . . . . ?
C15 Ru1 C3A1 C6A 13.2(9) . . . . ?
C12 Ru1 C3A1 C6A -52.3(13) . . . . ?
C13 Ru1 C3A1 C6A 72.1(14) . . . . ?
C14 Ru1 C3A1 C6A 52.1(10) . . . . ?
C11 Ru1 C3A1 C6A -26.4(10) . . . . ?
C2 Ru1 C3A1 C6A -171.4(9) . . . . ?
C3 Ru1 C3A1 C6A 150.6(9) . . . . ?
C1 Ru1 C3A1 C6A -133.4(9) . . . . ?
C10B Ru1 C3A1 C6A -103.8(10) . . . . ?
C3A Ru1 C3A1 C6A 119.9(11) . . . . ?
C3A1 C3A C4 C5 1.2(13) . . . . ?
C3 C3A C4 C5 177.8(9) . . . . ?
Ru1 C3A C4 C5 86.5(12) . . . . ?
C3A C4 C5 C6 -0.2(16) . . . . ?
C4 C5 C6 C6A -1.5(16) . . . . ?
C5 C6 C6A C3A1 2.1(14) . . . . ?
C5 C6 C6A C6B -176.1(10) . . . . ?
C3A C3A1 C6A C6 -1.0(13) . . . . ?
C10B C3A1 C6A C6 -178.2(8) . . . . ?
Ru1 C3A1 C6A C6 -95.3(10) . . . . ?
C3A C3A1 C6A C6B 177.7(8) . . . . ?
C10B C3A1 C6A C6B 0.5(10) . . . . ?
Ru1 C3A1 C6A C6B 83.4(9) . . . . ?
C6 C6A C6B C7 -1.4(18) . . . . ?
C3A1 C6A C6B C7 -179.8(9) . . . . ?
C6 C6A C6B C10A 177.9(11) . . . . ?
C3A1 C6A C6B C10A -0.5(10) . . . . ?
C10A C6B C7 C8 1.6(14) . . . . ?
C6A C6B C7 C8 -179.1(10) . . . . ?
C6B C7 C8 C9 -1.1(16) . . . . ?
C7 C8 C9 C10 0.2(17) . . . . ?
C8 C9 C10 C10A 0.1(16) . . . . ?
C9 C10 C10A C6B 0.5(15) . . . . ?
C9 C10 C10A C10B 179.1(9) . . . . ?
C7 C6B C10A C10 -1.4(14) . . . . ?
C6A C6B C10A C10 179.2(8) . . . . ?
C7 C6B C10A C10B 179.7(8) . . . . ?
C6A C6B C10A C10B 0.3(10) . . . . ?
C1 C10B C10A C10 1.2(18) . . . . ?
C3A1 C10B C10A C10 -178.8(10) . . . . ?
Ru1 C10B C10A C10 102.2(11) . . . . ?
C1 C10B C10A C6B 180.0(10) . . . . ?
C3A1 C10B C10A C6B 0.0(10) . . . . ?
Ru1 C10B C10A C6B -79.1(9) . . . . ?
#----------------------------------------------------------------------------#
# END OF CIF FILE FOR ANDRES03_3A                                            #
#----------------------------------------------------------------------------#

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#                          END OF GLOBAL CIF FILE                            #
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_database_code_depnum_ccdc_archive 'CCDC 1002570'
