#------------------------------------------------------------------------------
#$Date: 2016-02-18 14:25:00 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176728 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/19/8101933.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_8101933
loop_
_publ_author_name
'Laus, G.'
'Strasser, C. E.'
'Wurst, K.'
'Schottenberger, H.'
_publ_section_title
;
Crystal structure of (E)-2-ruthenocenylethenylcobaltocenium 
hexafluorophosphate, [(C₅H₅)Ru(C₁₂H₁₀)Co(C₅H₅)][PF₆]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              103
_journal_page_last               104
_journal_volume                  221
_journal_year                    2006
_chemical_formula_sum            'C22 H20 Co F6 P Ru'
_chemical_formula_weight         589.35
_chemical_name_systematic
; 
 (E)-2-ruthenocenylethenylcobaltocenium hexafluorophosphate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.940(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.9053(2)
_cell_length_b                   11.4730(3)
_cell_length_c                   18.5156(5)
_cell_measurement_reflns_used    17872
_cell_measurement_temperature    233(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.0
_cell_volume                     2096.36(9)
_computing_data_collection       COLLECT
_computing_data_reduction        'DENZO and SCALEPACK'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      233(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi- and omega-scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0328
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            11972
_diffrn_reflns_theta_full        24.00
_diffrn_reflns_theta_max         24.00
_diffrn_reflns_theta_min         2.06
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.648
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.867
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.543
_refine_diff_density_min         -0.538
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     275
_refine_ls_number_reflns         3288
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0314P)²+6.4907P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0880
_refine_ls_wR_factor_ref         0.0936
_reflns_number_gt                2702
_reflns_number_total             3288
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1728.cff
_cod_data_source_block           s163
_cod_original_sg_symbol_H-M      P12(1)/c1
_cod_database_code               8101933
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.77338(4) 0.14306(3) 0.98871(2) 0.03847(15) Uani 1 4 e d . . .
Co1 Co 0.26419(7) 0.13066(6) 0.68202(3) 0.0406(2) Uani 1 4 e d . A .
C1 C 0.5344(5) 0.1742(5) 0.8580(3) 0.0481(13) Uani 1 4 e d . . .
H1 H 0.4600 0.2043 0.8803 0.058 Uiso 1 4 e calc . . .
C2 C 0.5080(5) 0.1049(5) 0.8030(3) 0.0516(13) Uani 1 4 e d . A .
H2 H 0.5813 0.0751 0.7797 0.062 Uiso 1 4 e calc . . .
C10 C 0.6698(5) 0.2094(4) 0.8883(3) 0.0427(12) Uani 1 4 e d . A .
C11 C 0.7987(5) 0.1643(5) 0.8738(3) 0.0475(13) Uani 1 4 e d . A .
H11 H 0.8141 0.1019 0.8426 0.057 Uiso 1 4 e calc . . .
C12 C 0.8994(5) 0.2299(5) 0.9145(3) 0.0512(14) Uani 1 4 e d . A .
H12 H 0.9935 0.2188 0.9151 0.061 Uiso 1 4 e calc . . .
C13 C 0.8349(6) 0.3140(5) 0.9537(3) 0.0522(14) Uani 1 4 e d . A .
H13 H 0.8783 0.3695 0.9850 0.063 Uiso 1 4 e calc . . .
C14 C 0.6936(5) 0.3018(4) 0.9385(3) 0.0467(13) Uani 1 4 e d . A .
H14 H 0.6268 0.3472 0.9582 0.056 Uiso 1 4 e calc . . .
C20 C 0.3710(5) 0.0707(5) 0.7752(3) 0.0446(12) Uani 1 4 e d . . .
C21 C 0.2461(5) 0.1224(5) 0.7903(3) 0.0460(13) Uani 1 4 e d . A .
H21 H 0.2361 0.1865 0.8210 0.055 Uiso 1 4 e calc . . .
C22 C 0.1392(5) 0.0612(5) 0.7512(3) 0.0533(14) Uani 1 4 e d . . .
H22 H 0.0461 0.0766 0.7520 0.064 Uiso 1 4 e calc . . .
C23 C 0.1979(6) -0.0275(5) 0.7109(3) 0.0526(14) Uani 1 4 e d . A .
H23 H 0.1507 -0.0814 0.6798 0.063 Uiso 1 4 e calc . . .
C24 C 0.3385(6) -0.0207(5) 0.7254(3) 0.0508(13) Uani 1 4 e d . A .
H24 H 0.4017 -0.0693 0.7052 0.061 Uiso 1 4 e calc . . .
C25 C 0.3533(8) 0.2765(7) 0.6503(4) 0.077(2) Uani 1 4 e d . . .
H25 H 0.4190 0.3200 0.6784 0.093 Uiso 1 4 e calc . . .
C26 C 0.2179(8) 0.2927(5) 0.6478(3) 0.0719(18) Uani 1 4 e d . A .
H26 H 0.1743 0.3492 0.6744 0.086 Uiso 1 4 e calc . . .
C27 C 0.1544(8) 0.2149(7) 0.6011(4) 0.081(2) Uani 1 4 e d . . .
H27 H 0.0603 0.2088 0.5900 0.097 Uiso 1 4 e calc . . .
C28 C 0.2503(12) 0.1471(6) 0.5731(3) 0.095(3) Uani 1 4 e d . A .
H28 H 0.2341 0.0864 0.5393 0.114 Uiso 1 4 e calc . . .
C29 C 0.3791(9) 0.1847(8) 0.6043(5) 0.098(3) Uani 1 4 e d . A .
H29 H 0.4641 0.1539 0.5957 0.117 Uiso 1 4 e calc . . .
P1 P 0.23072(17) 0.46829(15) 0.86042(9) 0.0632(4) Uani 1 4 e d . . .
F1 F 0.2222(6) 0.5852(4) 0.8193(3) 0.143(2) Uani 1 4 e d . . .
F2 F 0.2361(5) 0.3475(3) 0.9020(2) 0.0971(13) Uani 1 4 e d . . .
F3 F 0.1095(4) 0.5067(4) 0.9039(3) 0.1146(16) Uani 1 4 e d . . .
F4 F 0.3498(4) 0.4240(4) 0.8166(2) 0.0941(13) Uani 1 4 e d . . .
F5 F 0.3326(4) 0.5194(4) 0.9206(3) 0.1115(15) Uani 1 4 e d . . .
F6 F 0.1274(5) 0.4109(5) 0.8010(3) 0.130(2) Uani 1 4 e d . . .
C15 C 0.6834(10) -0.0158(7) 1.0305(4) 0.0361(18) Uiso 0.67 4 e d P A 1
H15 H 0.6172 -0.0611 1.0041 0.043 Uiso 0.67 4 e calc P B 1
C16 C 0.8225(10) -0.0332(8) 1.0316(5) 0.039(2) Uiso 0.67 4 e d P A 1
H16 H 0.8656 -0.0915 1.0063 0.046 Uiso 0.67 4 e calc P C 1
C17 C 0.8889(10) 0.0531(10) 1.0780(6) 0.042(4) Uiso 0.67 4 e d P A 1
H17 H 0.9828 0.0616 1.0892 0.050 Uiso 0.67 4 e calc P D 1
C18 C 0.7857(17) 0.1227(10) 1.1036(6) 0.064(3) Uiso 0.67 4 e d P A 1
H18 H 0.7993 0.1873 1.1346 0.077 Uiso 0.67 4 e calc P E 1
C19 C 0.6566(9) 0.0789(11) 1.0744(5) 0.041(2) Uiso 0.67 4 e d P A 1
H19 H 0.5709 0.1083 1.0831 0.049 Uiso 0.67 4 e calc P F 1
C16A C 0.883(2) 0.027(2) 1.0644(12) 0.037(7) Uiso 0.33 4 e d P A 2
H16A H 0.9730 0.0049 1.0592 0.045 Uiso 0.33 4 e calc P G 2
C15A C 0.771(3) -0.029(2) 1.0353(13) 0.072(8) Uiso 0.33 4 e d P A 2
H15A H 0.7710 -0.0963 1.0067 0.086 Uiso 0.33 4 e calc P H 2
C18A C 0.702(2) 0.1276(14) 1.0984(9) 0.039(4) Uiso 0.33 4 e d P A 2
H18A H 0.6477 0.1832 1.1191 0.046 Uiso 0.33 4 e calc P I 2
C17A C 0.8396(18) 0.1248(13) 1.1049(8) 0.027(4) Uiso 0.33 4 e d P A 2
H17A H 0.8968 0.1780 1.1314 0.033 Uiso 0.33 4 e calc P J 2
C19A C 0.6554(18) 0.031(2) 1.0544(13) 0.049(5) Uiso 0.33 4 e d P A 2
H19A H 0.5647 0.0104 1.0409 0.059 Uiso 0.33 4 e calc P K 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C18 Ru1 C15A 60.1(7) . . ?
C18 Ru1 C16A 45.8(7) . . ?
C15A Ru1 C16A 36.4(9) . . ?
C18 Ru1 C14 120.6(4) . . ?
C15A Ru1 C14 158.1(9) . . ?
C16A Ru1 C14 160.8(7) . . ?
C18 Ru1 C13 113.8(3) . . ?
C15A Ru1 C13 163.8(9) . . ?
C16A Ru1 C13 128.0(6) . . ?
C14 Ru1 C13 38.0(2) . . ?
C18 Ru1 C19 39.0(4) . . ?
C15A Ru1 C19 51.1(8) . . ?
C16A Ru1 C19 65.5(6) . . ?
C14 Ru1 C19 113.7(3) . . ?
C13 Ru1 C19 134.9(4) . . ?
C18 Ru1 C12 133.9(4) . . ?
C15A Ru1 C12 134.3(9) . . ?
C16A Ru1 C12 114.2(5) . . ?
C14 Ru1 C12 63.3(2) . . ?
C13 Ru1 C12 37.4(2) . . ?
C19 Ru1 C12 170.9(4) . . ?
C18 Ru1 C11 170.1(5) . . ?
C15A Ru1 C11 120.0(7) . . ?
C16A Ru1 C11 127.6(6) . . ?
C14 Ru1 C11 63.5(2) . . ?
C13 Ru1 C11 63.1(2) . . ?
C19 Ru1 C11 149.9(4) . . ?
C12 Ru1 C11 37.9(2) . . ?
C18 Ru1 C19A 50.7(7) . . ?
C15A Ru1 C19A 37.8(9) . . ?
C16A Ru1 C19A 62.3(7) . . ?
C14 Ru1 C19A 123.0(6) . . ?
C13 Ru1 C19A 151.6(8) . . ?
C19 Ru1 C19A 17.6(6) . . ?
C12 Ru1 C19A 170.9(9) . . ?
C11 Ru1 C19A 136.3(7) . . ?
C18 Ru1 C10 150.5(4) . . ?
C15A Ru1 C10 129.9(8) . . ?
C16A Ru1 C10 160.4(7) . . ?
C14 Ru1 C10 38.01(19) . . ?
C13 Ru1 C10 63.47(19) . . ?
C19 Ru1 C10 120.0(3) . . ?
C12 Ru1 C10 63.60(19) . . ?
C11 Ru1 C10 38.15(19) . . ?
C19A Ru1 C10 116.5(5) . . ?
C18 Ru1 C17 38.1(4) . . ?
C15A Ru1 C17 44.5(8) . . ?
C16A Ru1 C17 10.4(6) . . ?
C14 Ru1 C17 150.5(4) . . ?
C13 Ru1 C17 120.7(3) . . ?
C19 Ru1 C17 64.2(3) . . ?
C12 Ru1 C17 113.7(3) . . ?
C11 Ru1 C17 134.0(3) . . ?
C19A Ru1 C17 64.5(5) . . ?
C10 Ru1 C17 170.4(4) . . ?
C18 Ru1 C15 63.2(4) . . ?
C15A Ru1 C15 23.3(8) . . ?
C16A Ru1 C15 57.0(6) . . ?
C14 Ru1 C15 134.8(3) . . ?
C13 Ru1 C15 170.9(3) . . ?
C19 Ru1 C15 37.3(3) . . ?
C12 Ru1 C15 150.9(3) . . ?
C11 Ru1 C15 121.4(3) . . ?
C19A Ru1 C15 20.0(7) . . ?
C10 Ru1 C15 114.4(2) . . ?
C17 Ru1 C15 62.9(3) . . ?
C25 Co1 C26 39.4(3) . . ?
C25 Co1 C29 40.6(3) . . ?
C26 Co1 C29 67.4(3) . . ?
C25 Co1 C23 172.2(3) . . ?
C26 Co1 C23 147.9(3) . . ?
C29 Co1 C23 133.2(3) . . ?
C25 Co1 C28 67.9(3) . . ?
C26 Co1 C28 66.7(3) . . ?
C29 Co1 C28 41.4(4) . . ?
C23 Co1 C28 110.6(3) . . ?
C25 Co1 C27 66.8(3) . . ?
C26 Co1 C27 39.5(3) . . ?
C29 Co1 C27 67.9(3) . . ?
C23 Co1 C27 117.4(3) . . ?
C28 Co1 C27 39.5(3) . . ?
C25 Co1 C22 145.6(3) . . ?
C26 Co1 C22 115.5(3) . . ?
C29 Co1 C22 172.8(4) . . ?
C23 Co1 C22 41.1(2) . . ?
C28 Co1 C22 132.7(4) . . ?
C27 Co1 C22 109.8(3) . . ?
C25 Co1 C24 132.7(3) . . ?
C26 Co1 C24 170.5(3) . . ?
C29 Co1 C24 109.9(3) . . ?
C23 Co1 C24 40.4(2) . . ?
C28 Co1 C24 117.9(3) . . ?
C27 Co1 C24 149.1(3) . . ?
C22 Co1 C24 68.4(2) . . ?
C25 Co1 C21 114.0(3) . . ?
C26 Co1 C21 108.5(2) . . ?
C29 Co1 C21 145.7(4) . . ?
C23 Co1 C21 68.8(2) . . ?
C28 Co1 C21 170.7(4) . . ?
C27 Co1 C21 131.8(3) . . ?
C22 Co1 C21 40.9(2) . . ?
C24 Co1 C21 68.2(2) . . ?
C25 Co1 C20 108.4(2) . . ?
C26 Co1 C20 131.3(3) . . ?
C29 Co1 C20 114.9(3) . . ?
C23 Co1 C20 68.5(2) . . ?
C28 Co1 C20 148.5(4) . . ?
C27 Co1 C20 169.9(3) . . ?
C22 Co1 C20 68.7(2) . . ?
C24 Co1 C20 40.5(2) . . ?
C21 Co1 C20 40.6(2) . . ?
C2 C1 C10 125.7(5) . . ?
C1 C2 C20 123.9(5) . . ?
C14 C10 C11 107.1(4) . . ?
C14 C10 C1 123.6(5) . . ?
C11 C10 C1 129.3(5) . . ?
C14 C10 Ru1 70.3(3) . . ?
C11 C10 Ru1 70.8(3) . . ?
C1 C10 Ru1 125.3(3) . . ?
C12 C11 C10 108.0(5) . . ?
C12 C11 Ru1 71.0(3) . . ?
C10 C11 Ru1 71.1(3) . . ?
C13 C12 C11 108.2(5) . . ?
C13 C12 Ru1 71.0(3) . . ?
C11 C12 Ru1 71.1(3) . . ?
C12 C13 C14 108.6(5) . . ?
C12 C13 Ru1 71.5(3) . . ?
C14 C13 Ru1 70.8(3) . . ?
C13 C14 C10 108.2(5) . . ?
C13 C14 Ru1 71.2(3) . . ?
C10 C14 Ru1 71.7(3) . . ?
C24 C20 C21 106.5(4) . . ?
C24 C20 C2 125.5(5) . . ?
C21 C20 C2 128.0(5) . . ?
C24 C20 Co1 68.3(3) . . ?
C21 C20 Co1 68.4(3) . . ?
C2 C20 Co1 126.8(4) . . ?
C22 C21 C20 108.5(5) . . ?
C22 C21 Co1 69.2(3) . . ?
C20 C21 Co1 70.9(3) . . ?
C21 C22 C23 107.6(5) . . ?
C21 C22 Co1 69.9(3) . . ?
C23 C22 Co1 69.3(3) . . ?
C24 C23 C22 107.8(5) . . ?
C24 C23 Co1 70.1(3) . . ?
C22 C23 Co1 69.6(3) . . ?
C23 C24 C20 109.5(5) . . ?
C23 C24 Co1 69.5(3) . . ?
C20 C24 Co1 71.2(3) . . ?
C26 C25 C29 108.5(7) . . ?
C26 C25 Co1 70.3(4) . . ?
C29 C25 Co1 69.8(4) . . ?
C25 C26 C27 109.6(7) . . ?
C25 C26 Co1 70.3(4) . . ?
C27 C26 Co1 70.9(4) . . ?
C26 C27 C28 108.5(7) . . ?
C26 C27 Co1 69.6(4) . . ?
C28 C27 Co1 70.2(4) . . ?
C27 C28 C29 107.6(6) . . ?
C27 C28 Co1 70.3(4) . . ?
C29 C28 Co1 68.9(4) . . ?
C25 C29 C28 105.8(7) . . ?
C25 C29 Co1 69.5(4) . . ?
C28 C29 Co1 69.7(4) . . ?
F1 P1 F5 91.8(3) . . ?
F1 P1 F3 89.9(3) . . ?
F5 P1 F3 90.2(3) . . ?
F1 P1 F4 92.2(3) . . ?
F5 P1 F4 91.3(3) . . ?
F3 P1 F4 177.4(3) . . ?
F1 P1 F6 90.8(3) . . ?
F5 P1 F6 177.5(3) . . ?
F3 P1 F6 89.8(3) . . ?
F4 P1 F6 88.6(3) . . ?
F1 P1 F2 178.7(3) . . ?
F5 P1 F2 89.4(3) . . ?
F3 P1 F2 89.5(3) . . ?
F4 P1 F2 88.4(2) . . ?
F6 P1 F2 88.1(3) . . ?
C16 C15 C19 109.9(7) . . ?
C16 C15 Ru1 72.1(5) . . ?
C19 C15 Ru1 70.3(4) . . ?
C15 C16 C17 108.3(8) . . ?
C15 C16 Ru1 71.1(5) . . ?
C17 C16 Ru1 70.1(5) . . ?
C18 C17 C16 106.5(9) . . ?
C18 C17 Ru1 68.8(6) . . ?
C16 C17 Ru1 71.9(5) . . ?
C17 C18 C19 108.8(10) . . ?
C17 C18 Ru1 73.0(6) . . ?
C19 C18 Ru1 71.9(6) . . ?
C15 C19 C18 106.5(8) . . ?
C15 C19 Ru1 72.5(4) . . ?
C18 C19 Ru1 69.1(5) . . ?
C15A C16A C17A 107.9(18) . . ?
C15A C16A Ru1 71.5(13) . . ?
C17A C16A Ru1 72.5(10) . . ?
C16A C15A C19A 109(2) . . ?
C16A C15A Ru1 72.1(13) . . ?
C19A C15A Ru1 72.2(13) . . ?
C17A C18A C19A 107.9(14) . . ?
C17A C18A Ru1 71.8(8) . . ?
C19A C18A Ru1 69.7(9) . . ?
C18A C17A C16A 108.2(14) . . ?
C18A C17A Ru1 72.5(9) . . ?
C16A C17A Ru1 69.0(9) . . ?
C15A C19A C18A 106.6(17) . . ?
C15A C19A Ru1 69.9(12) . . ?
C18A C19A Ru1 72.2(9) . . ?
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 C18 2.133(11) . ?
Ru1 C15A 2.15(2) . ?
Ru1 C16A 2.159(19) . ?
Ru1 C14 2.164(5) . ?
Ru1 C13 2.170(5) . ?
Ru1 C19 2.170(8) . ?
Ru1 C12 2.176(5) . ?
Ru1 C11 2.178(5) . ?
Ru1 C19A 2.181(18) . ?
Ru1 C10 2.182(5) . ?
Ru1 C17 2.187(10) . ?
Ru1 C15 2.199(7) . ?
Co1 C25 2.003(6) . ?
Co1 C26 2.004(6) . ?
Co1 C29 2.007(6) . ?
Co1 C23 2.017(5) . ?
Co1 C28 2.018(6) . ?
Co1 C27 2.020(6) . ?
Co1 C22 2.021(5) . ?
Co1 C24 2.025(5) . ?
Co1 C21 2.030(5) . ?
Co1 C20 2.063(5) . ?
C1 C2 1.301(8) . ?
C1 C10 1.466(7) . ?
C2 C20 1.463(7) . ?
C10 C14 1.415(7) . ?
C10 C11 1.425(7) . ?
C11 C12 1.415(7) . ?
C12 C13 1.395(8) . ?
C13 C14 1.411(7) . ?
C20 C24 1.415(7) . ?
C20 C21 1.421(7) . ?
C21 C22 1.416(7) . ?
C22 C23 1.417(8) . ?
C23 C24 1.397(7) . ?
C25 C26 1.350(10) . ?
C25 C29 1.392(11) . ?
C26 C27 1.359(9) . ?
C27 C28 1.364(11) . ?
C28 C29 1.421(12) . ?
P1 F1 1.541(5) . ?
P1 F5 1.553(4) . ?
P1 F3 1.565(4) . ?
P1 F4 1.573(4) . ?
P1 F6 1.581(5) . ?
P1 F2 1.585(4) . ?
C15 C16 1.391(13) . ?
C15 C19 1.396(13) . ?
C16 C17 1.433(14) . ?
C17 C18 1.411(17) . ?
C18 C19 1.436(16) . ?
C16A C15A 1.35(3) . ?
C16A C17A 1.44(3) . ?
C15A C19A 1.41(3) . ?
C18A C17A 1.35(2) . ?
C18A C19A 1.43(3) . ?
