#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:37:51 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178574 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/84/4068481.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_4068481
loop_
_publ_author_name
'Renfrew, Anna K.'
'Phillips, Andrew D.'
'Egger, Alexander E.'
'Hartinger, Christian G.'
'Bosquain, Sylvain S.'
'Nazarov, Alexey A.'
'Keppler, Bernhard K.'
'Gonsalvi, Luca'
'Peruzzini, Maurizio'
'Dyson, Paul J.'
_publ_section_title
;
 Influence of Structural Variation on the Anticancer Activity of
 RAPTA-Type Complexes: ptn versus pta
;
_journal_issue                   4
_journal_name_full               Organometallics
_journal_page_first              1165
_journal_paper_doi               10.1021/om800899e
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C19 H34 Cl N3 P Ru, B F4 '
_chemical_formula_sum            'C19 H34 B Cl F4 N3 P Ru'
_chemical_formula_weight         558.79
_chemical_name_common            C6Me6Ru(Me)PTN.BF4
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9609(9)
_cell_length_b                   9.5739(16)
_cell_length_c                   18.1197(13)
_cell_measurement_reflns_used    81
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      19.502
_cell_measurement_theta_min      3.32
_cell_volume                     2248.4(4)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    'SHELXTL 5, XP (Sheldrick, 1994)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'Apex II CCD'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker-Nonus 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  0.0962
_diffrn_reflns_av_sigmaI/netI    0.0319
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            38876
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.47
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    0.932
_exptl_absorpt_correction_T_max  0.838
_exptl_absorpt_correction_T_min  0.540
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2.03 (Bruker, 2001)
 R.H. Blessing, Acta Cryst. (1995), a51, 33-38
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.651
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.417
_exptl_crystal_size_mid          0.261
_exptl_crystal_size_min          0.189
_refine_diff_density_max         0.502
_refine_diff_density_min         -0.500
_refine_diff_density_rms         0.095
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.140
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     165
_refine_ls_number_reflns         2104
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.140
_refine_ls_R_factor_all          0.0497
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0109P)²+6.1500P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0673
_refine_ls_wR_factor_ref         0.0729
_reflns_number_gt                1770
_reflns_number_total             2104
_reflns_threshold_expression     I>2/s(I)
_cod_data_source_file            om800899e_si_001.cif
_cod_data_source_block           pd491
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               4068481
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'-x, y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z-1/2'
'x, -y-1/2, z'
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 0.18251(3) 0.2500 0.06574(2) 0.01725(12) Uani 1 2 d S . .
Cl1 Cl -0.00166(10) 0.2500 0.04047(7) 0.0299(3) Uani 1 2 d S A .
P1 P 0.1588(7) 0.0925(10) 0.1575(5) 0.0260(9) Uani 0.50 1 d P A 1
F1 F 0.0918(2) 0.6302(3) 0.33908(14) 0.0495(7) Uani 1 1 d . . .
F2 F -0.0304(4) 0.7500 0.4020(2) 0.0748(14) Uani 1 2 d S . .
F3 F -0.0281(4) 0.7500 0.2758(3) 0.0872(16) Uani 1 2 d S . .
B1 B 0.0306(6) 0.7500 0.3387(4) 0.0370(16) Uani 1 2 d S . .
N1 N 0.153(2) 0.109(3) 0.1638(16) 0.0260(9) Uani 0.50 1 d P A 2
N2 N 0.0401(3) 0.2500 0.2499(2) 0.0308(11) Uani 1 2 d S . .
N3 N 0.2264(4) 0.2500 0.2707(3) 0.0527(17) Uani 1 2 d S . .
C1 C 0.1665(16) -0.0912(18) 0.1474(11) 0.048(4) Uani 0.50 1 d P A 1
H1A H 0.2381 -0.1181 0.1374 0.073 Uiso 0.50 1 calc PR A 1
H1B H 0.1226 -0.1208 0.1062 0.073 Uiso 0.50 1 calc PR A 1
H1C H 0.1431 -0.1364 0.1929 0.073 Uiso 0.50 1 calc PR A 1
C2 C 0.2417(3) 0.1221(6) 0.2290(2) 0.0545(14) Uani 1 1 d . . .
H2A H 0.2365 0.0425 0.2637 0.065 Uiso 1 1 calc R A 1
H2B H 0.3128 0.1226 0.2092 0.065 Uiso 1 1 calc R A 1
C3 C 0.0423(3) 0.1220(4) 0.2063(2) 0.0293(9) Uani 1 1 d . . .
H3A H -0.0152 0.1249 0.1704 0.035 Uiso 1 1 calc R A 1
H3B H 0.0300 0.0418 0.2396 0.035 Uiso 1 1 calc R A 1
C4 C 0.1232(4) 0.2500 0.3046(3) 0.054(2) Uani 1 2 d S . .
H4A H 0.1162 0.1664 0.3364 0.065 Uiso 0.50 1 calc PR A .
H4B H 0.1162 0.3336 0.3364 0.065 Uiso 0.50 1 calc PR . .
C5 C 0.1527(14) -0.0440(14) 0.1342(10) 0.041(4) Uani 0.50 1 d P A 2
H5A H 0.1317 -0.1076 0.1738 0.062 Uiso 0.50 1 calc PR A 2
H5B H 0.2221 -0.0689 0.1173 0.062 Uiso 0.50 1 calc PR A 2
H5C H 0.1041 -0.0516 0.0930 0.062 Uiso 0.50 1 calc PR A 2
C6 C 0.2034(3) 0.3249(5) -0.05280(18) 0.0385(11) Uani 1 1 d . . .
C7 C 0.2739(3) 0.1003(5) -0.0089(2) 0.0318(9) Uani 1 1 d . . .
C8 C 0.3423(3) 0.1749(4) 0.03998(19) 0.0255(8) Uani 1 1 d . . .
C9 C 0.1298(3) 0.4034(6) -0.1029(2) 0.0548(14) Uani 1 1 d . . .
H9A H 0.1552 0.3994 -0.1538 0.082 Uiso 1 1 calc R A .
H9B H 0.1254 0.5011 -0.0870 0.082 Uiso 1 1 calc R . .
H9C H 0.0613 0.3605 -0.1003 0.082 Uiso 1 1 calc R . .
C10 C 0.2807(3) -0.0577(5) -0.0175(3) 0.0488(12) Uani 1 1 d . . .
H10A H 0.2117 -0.0985 -0.0122 0.073 Uiso 1 1 calc R A .
H10B H 0.3265 -0.0960 0.0205 0.073 Uiso 1 1 calc R . .
H10C H 0.3081 -0.0803 -0.0665 0.073 Uiso 1 1 calc R . .
C11 C 0.4228(3) 0.0971(4) 0.0836(2) 0.0324(9) Uani 1 1 d . . .
H11A H 0.3960 0.0051 0.0975 0.049 Uiso 1 1 calc R A .
H11B H 0.4399 0.1501 0.1282 0.049 Uiso 1 1 calc R . .
H11C H 0.4850 0.0855 0.0535 0.049 Uiso 1 1 calc R . .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C8 Ru1 C8 37.42(19) 8_565 .
C8 Ru1 P1 119.4(3) 8_565 .
C8 Ru1 P1 93.7(2) . .
C8 Ru1 P1 93.7(2) 8_565 8_565
C8 Ru1 P1 119.4(3) . 8_565
P1 Ru1 P1 83.4(4) . 8_565
C8 Ru1 N1 97.4(7) 8_565 8_565
C8 Ru1 N1 120.7(8) . 8_565
P1 Ru1 N1 78.3(5) . 8_565
P1 Ru1 N1 5.3(9) 8_565 8_565
C8 Ru1 N1 120.7(8) 8_565 .
C8 Ru1 N1 97.4(7) . .
P1 Ru1 N1 5.3(9) . .
P1 Ru1 N1 78.3(5) 8_565 .
N1 Ru1 N1 73.1(14) 8_565 .
C8 Ru1 C6 66.01(13) 8_565 .
C8 Ru1 C6 78.18(13) . .
P1 Ru1 C6 156.4(2) . .
P1 Ru1 C6 119.9(2) 8_565 .
N1 Ru1 C6 124.9(7) 8_565 .
N1 Ru1 C6 161.3(8) . .
C8 Ru1 C6 78.18(13) 8_565 8_565
C8 Ru1 C6 66.01(13) . 8_565
P1 Ru1 C6 119.9(2) . 8_565
P1 Ru1 C6 156.4(2) 8_565 8_565
N1 Ru1 C6 161.3(8) 8_565 8_565
N1 Ru1 C6 124.9(8) . 8_565
C6 Ru1 C6 36.7(2) . 8_565
C8 Ru1 C7 37.01(13) 8_565 8_565
C8 Ru1 C7 66.50(14) . 8_565
P1 Ru1 C7 156.4(3) . 8_565
P1 Ru1 C7 95.0(2) 8_565 8_565
N1 Ru1 C7 100.2(7) 8_565 8_565
N1 Ru1 C7 156.9(8) . 8_565
C6 Ru1 C7 35.80(14) . 8_565
C6 Ru1 C7 65.22(15) 8_565 8_565
C8 Ru1 C7 66.50(14) 8_565 .
C8 Ru1 C7 37.01(13) . .
P1 Ru1 C7 95.0(2) . .
P1 Ru1 C7 156.4(3) 8_565 .
N1 Ru1 C7 156.9(8) 8_565 .
N1 Ru1 C7 100.2(7) . .
C6 Ru1 C7 65.22(15) . .
C6 Ru1 C7 35.80(14) 8_565 .
C7 Ru1 C7 77.1(2) 8_565 .
C8 Ru1 Cl1 150.25(9) 8_565 .
C8 Ru1 Cl1 150.25(9) . .
P1 Ru1 Cl1 90.3(2) . .
P1 Ru1 Cl1 90.3(2) 8_565 .
N1 Ru1 Cl1 89.0(8) 8_565 .
N1 Ru1 Cl1 89.0(8) . .
C6 Ru1 Cl1 86.51(10) . .
C6 Ru1 Cl1 86.51(10) 8_565 .
C7 Ru1 Cl1 113.29(10) 8_565 .
C7 Ru1 Cl1 113.29(10) . .
C2 P1 C3 97.5(4) . .
C2 P1 C1 102.0(8) . .
C3 P1 C1 104.9(8) . .
C2 P1 Ru1 111.2(5) . .
C3 P1 Ru1 112.1(4) . .
C1 P1 Ru1 125.3(7) . .
F3 B1 F2 111.7(6) . .
F3 B1 F1 108.7(4) . .
F2 B1 F1 108.6(4) . .
F3 B1 F1 108.7(4) . 8_575
F2 B1 F1 108.6(4) . 8_575
F1 B1 F1 110.6(5) . 8_575
C5 N1 C2 108.5(18) . .
C5 N1 C3 103(2) . .
C2 N1 C3 105.6(16) . .
C5 N1 Ru1 106.9(16) . .
C2 N1 Ru1 113.6(17) . .
C3 N1 Ru1 118.3(16) . .
C3 N2 C3 114.3(4) 8_565 .
C3 N2 C4 110.6(3) 8_565 .
C3 N2 C4 110.6(3) . .
C2 N3 C2 115.0(5) . 8_565
C2 N3 C4 109.9(3) . .
C2 N3 C4 109.9(3) 8_565 .
N3 C2 N1 109.9(10) . .
N3 C2 P1 116.7(4) . .
N3 C2 H2A 108.1 . .
N1 C2 H2A 110.5 . .
P1 C2 H2A 108.1 . .
N3 C2 H2B 108.1 . .
N1 C2 H2B 112.8 . .
P1 C2 H2B 108.1 . .
H2A C2 H2B 107.3 . .
N2 C3 N1 109.6(12) . .
N2 C3 P1 114.9(4) . .
N2 C3 H3A 108.5 . .
N1 C3 H3A 110.7 . .
P1 C3 H3A 108.5 . .
N2 C3 H3B 108.5 . .
N1 C3 H3B 111.8 . .
P1 C3 H3B 108.5 . .
H3A C3 H3B 107.5 . .
N2 C4 N3 112.8(4) . .
N2 C4 H4A 109.0 . .
N3 C4 H4A 109.0 . .
N2 C4 H4B 109.0 . .
N3 C4 H4B 109.0 . .
H4A C4 H4B 107.8 . .
N1 C5 H5A 109.5 . .
N1 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
N1 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
C7 C6 C6 120.6(2) 8_565 8_565
C7 C6 C9 119.7(4) 8_565 .
C6 C6 C9 119.7(3) 8_565 .
C7 C6 Ru1 72.8(2) 8_565 .
C6 C6 Ru1 71.67(11) 8_565 .
C9 C6 Ru1 130.2(3) . .
C6 C7 C8 119.6(4) 8_565 .
C6 C7 C10 119.0(4) 8_565 .
C8 C7 C10 121.3(4) . .
C6 C7 Ru1 71.4(2) 8_565 .
C8 C7 Ru1 69.3(2) . .
C10 C7 Ru1 135.1(3) . .
C8 C8 C7 119.7(2) 8_565 .
C8 C8 C11 119.6(2) 8_565 .
C7 C8 C11 120.2(3) . .
C8 C8 Ru1 71.29(10) 8_565 .
C7 C8 Ru1 73.7(2) . .
C11 C8 Ru1 133.6(2) . .
C6 C9 H9A 109.5 . .
C6 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C6 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7 C10 H10A 109.5 . .
C7 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C7 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C8 2.242(3) 8_565
Ru1 C8 2.242(3) .
Ru1 P1 2.265(10) .
Ru1 P1 2.265(10) 8_565
Ru1 N1 2.26(3) 8_565
Ru1 N1 2.26(3) .
Ru1 C6 2.281(3) .
Ru1 C6 2.281(3) 8_565
Ru1 C7 2.299(4) 8_565
Ru1 C7 2.299(4) .
Ru1 Cl1 2.4306(13) .
P1 C2 1.707(11) .
P1 C3 1.773(9) .
P1 C1 1.77(2) .
F1 B1 1.395(5) .
F2 B1 1.394(8) .
F3 B1 1.369(8) .
B1 F1 1.395(5) 8_575
N1 C5 1.56(3) .
N1 C2 1.65(3) .
N1 C3 1.63(3) .
N2 C3 1.458(4) 8_565
N2 C3 1.458(4) .
N2 C4 1.464(7) .
N3 C2 1.452(6) .
N3 C2 1.452(6) 8_565
N3 C4 1.472(7) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 H5A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C6 C7 1.408(5) 8_565
C6 C6 1.434(9) 8_565
C6 C9 1.516(5) .
C7 C6 1.408(5) 8_565
C7 C8 1.442(5) .
C7 C10 1.524(6) .
C8 C8 1.438(8) 8_565
C8 C11 1.506(5) .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
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_4
C8 Ru1 P1 C2 36.3(5) 8_565 .
C8 Ru1 P1 C2 65.0(4) . .
P1 Ru1 P1 C2 -54.2(5) 8_565 .
N1 Ru1 P1 C2 -55.6(7) 8_565 .
N1 Ru1 P1 C2 -69(11) . .
C6 Ru1 P1 C2 133.6(5) . .
C6 Ru1 P1 C2 129.3(3) 8_565 .
C7 Ru1 P1 C2 33.2(8) 8_565 .
C7 Ru1 P1 C2 102.1(4) . .
Cl1 Ru1 P1 C2 -144.5(4) . .
C8 Ru1 P1 C3 144.3(4) 8_565 .
C8 Ru1 P1 C3 173.0(5) . .
P1 Ru1 P1 C3 53.7(6) 8_565 .
N1 Ru1 P1 C3 52.4(6) 8_565 .
N1 Ru1 P1 C3 39(11) . .
C6 Ru1 P1 C3 -118.4(5) . .
C6 Ru1 P1 C3 -122.7(4) 8_565 .
C7 Ru1 P1 C3 141.2(4) 8_565 .
C7 Ru1 P1 C3 -149.9(4) . .
Cl1 Ru1 P1 C3 -36.5(5) . .
C8 Ru1 P1 C1 -86.9(10) 8_565 .
C8 Ru1 P1 C1 -58.2(10) . .
P1 Ru1 P1 C1 -177.4(9) 8_565 .
N1 Ru1 P1 C1 -178.8(16) 8_565 .
N1 Ru1 P1 C1 168(12) . .
C6 Ru1 P1 C1 10.4(14) . .
C6 Ru1 P1 C1 6.2(11) 8_565 .
C7 Ru1 P1 C1 -90.0(12) 8_565 .
C7 Ru1 P1 C1 -21.1(10) . .
Cl1 Ru1 P1 C1 92.3(10) . .
C8 Ru1 N1 C5 -95.9(17) 8_565 .
C8 Ru1 N1 C5 -64.6(16) . .
P1 Ru1 N1 C5 -18(10) . .
P1 Ru1 N1 C5 177(2) 8_565 .
N1 Ru1 N1 C5 175.5(11) 8_565 .
C6 Ru1 N1 C5 10(4) . .
C6 Ru1 N1 C5 1(2) 8_565 .
C7 Ru1 N1 C5 -108(2) 8_565 .
C7 Ru1 N1 C5 -27.3(17) . .
Cl1 Ru1 N1 C5 86.2(16) . .
C8 Ru1 N1 C2 23.7(17) 8_565 .
C8 Ru1 N1 C2 55.0(14) . .
P1 Ru1 N1 C2 102(12) . .
P1 Ru1 N1 C2 -63.6(13) 8_565 .
N1 Ru1 N1 C2 -64.9(16) 8_565 .
C6 Ru1 N1 C2 129.8(19) . .
C6 Ru1 N1 C2 120.8(12) 8_565 .
C7 Ru1 N1 C2 11(3) 8_565 .
C7 Ru1 N1 C2 92.4(13) . .
Cl1 Ru1 N1 C2 -154.1(13) . .
C8 Ru1 N1 C3 148.3(14) 8_565 .
C8 Ru1 N1 C3 179.7(16) . .
P1 Ru1 N1 C3 -134(13) . .
P1 Ru1 N1 C3 61.0(15) 8_565 .
N1 Ru1 N1 C3 60(2) 8_565 .
C6 Ru1 N1 C3 -106(2) . .
C6 Ru1 N1 C3 -114.5(15) 8_565 .
C7 Ru1 N1 C3 135.9(13) 8_565 .
C7 Ru1 N1 C3 -143.0(16) . .
Cl1 Ru1 N1 C3 -29.5(17) . .
C2 N3 C2 N1 -65.1(13) 8_565 .
C4 N3 C2 N1 59.5(12) . .
C2 N3 C2 P1 -63.7(7) 8_565 .
C4 N3 C2 P1 61.0(6) . .
C5 N1 C2 N3 -165.2(13) . .
C3 N1 C2 N3 -55.1(19) . .
Ru1 N1 C2 N3 76.1(12) . .
C5 N1 C2 P1 26(11) . .
C3 N1 C2 P1 136(14) . .
Ru1 N1 C2 P1 -93(12) . .
C3 P1 C2 N3 -50.1(6) . .
C1 P1 C2 N3 -157.2(7) . .
Ru1 P1 C2 N3 67.1(5) . .
C3 P1 C2 N1 -39(12) . .
C1 P1 C2 N1 -146(13) . .
Ru1 P1 C2 N1 78(12) . .
C3 N2 C3 N1 66.1(13) 8_565 .
C4 N2 C3 N1 -59.6(12) . .
C3 N2 C3 P1 66.7(6) 8_565 .
C4 N2 C3 P1 -58.9(5) . .
C5 N1 C3 N2 168.4(12) . .
C2 N1 C3 N2 54.6(18) . .
Ru1 N1 C3 N2 -73.9(17) . .
C5 N1 C3 P1 -5(14) . .
C2 N1 C3 P1 -119(16) . .
Ru1 N1 C3 P1 112(16) . .
C2 P1 C3 N2 48.7(6) . .
C1 P1 C3 N2 153.3(8) . .
Ru1 P1 C3 N2 -67.9(5) . .
C2 P1 C3 N1 55(15) . .
C1 P1 C3 N1 160(16) . .
Ru1 P1 C3 N1 -61(15) . .
C3 N2 C4 N3 -63.8(3) 8_565 .
C3 N2 C4 N3 63.8(3) . .
C2 N3 C4 N2 -63.8(3) . .
C2 N3 C4 N2 63.8(3) 8_565 .
C8 Ru1 C6 C7 -28.7(2) 8_565 8_565
C8 Ru1 C6 C7 -66.0(2) . 8_565
P1 Ru1 C6 C7 -137.7(6) . 8_565
P1 Ru1 C6 C7 51.3(4) 8_565 8_565
N1 Ru1 C6 C7 53.3(10) 8_565 8_565
N1 Ru1 C6 C7 -144(2) . 8_565
C6 Ru1 C6 C7 -131.5(2) 8_565 8_565
C7 Ru1 C6 C7 -102.7(3) . 8_565
Cl1 Ru1 C6 C7 139.6(2) . 8_565
C8 Ru1 C6 C6 102.85(12) 8_565 8_565
C8 Ru1 C6 C6 65.51(11) . 8_565
P1 Ru1 C6 C6 -6.1(6) . 8_565
P1 Ru1 C6 C6 -177.2(3) 8_565 8_565
N1 Ru1 C6 C6 -175.2(9) 8_565 8_565
N1 Ru1 C6 C6 -12(2) . 8_565
C7 Ru1 C6 C6 131.5(2) 8_565 8_565
C7 Ru1 C6 C6 28.83(13) . 8_565
C8 Ru1 C6 C9 -143.3(5) 8_565 .
C8 Ru1 C6 C9 179.3(5) . .
P1 Ru1 C6 C9 107.7(7) . .
P1 Ru1 C6 C9 -63.4(5) 8_565 .
N1 Ru1 C6 C9 -61.4(10) 8_565 .
N1 Ru1 C6 C9 101(2) . .
C6 Ru1 C6 C9 113.8(4) 8_565 .
C7 Ru1 C6 C9 -114.7(5) 8_565 .
C7 Ru1 C6 C9 142.6(5) . .
Cl1 Ru1 C6 C9 25.0(4) . .
C8 Ru1 C7 C6 -102.8(3) 8_565 8_565
C8 Ru1 C7 C6 -133.2(4) . 8_565
P1 Ru1 C7 C6 137.2(3) . 8_565
P1 Ru1 C7 C6 -137.8(5) 8_565 8_565
N1 Ru1 C7 C6 -151.2(17) 8_565 8_565
N1 Ru1 C7 C6 138.1(9) . 8_565
C6 Ru1 C7 C6 -29.5(2) . 8_565
C7 Ru1 C7 C6 -65.3(3) 8_565 8_565
Cl1 Ru1 C7 C6 44.7(3) . 8_565
C8 Ru1 C7 C8 30.5(2) 8_565 .
P1 Ru1 C7 C8 -89.5(3) . .
P1 Ru1 C7 C8 -4.5(6) 8_565 .
N1 Ru1 C7 C8 -18.0(18) 8_565 .
N1 Ru1 C7 C8 -88.7(9) . .
C6 Ru1 C7 C8 103.7(3) . .
C6 Ru1 C7 C8 133.2(4) 8_565 .
C7 Ru1 C7 C8 67.9(2) 8_565 .
Cl1 Ru1 C7 C8 177.98(18) . .
C8 Ru1 C7 C10 144.6(5) 8_565 .
C8 Ru1 C7 C10 114.1(5) . .
P1 Ru1 C7 C10 24.5(5) . .
P1 Ru1 C7 C10 109.5(6) 8_565 .
N1 Ru1 C7 C10 96.1(18) 8_565 .
N1 Ru1 C7 C10 25.4(9) . .
C6 Ru1 C7 C10 -142.2(5) . .
C6 Ru1 C7 C10 -112.7(5) 8_565 .
C7 Ru1 C7 C10 -178.0(4) 8_565 .
Cl1 Ru1 C7 C10 -67.9(4) . .
C6 C7 C8 C8 -3.9(4) 8_565 8_565
C10 C7 C8 C8 172.4(3) . 8_565
Ru1 C7 C8 C8 -56.51(13) . 8_565
C6 C7 C8 C11 -176.1(3) 8_565 .
C10 C7 C8 C11 0.3(5) . .
Ru1 C7 C8 C11 131.3(3) . .
C6 C7 C8 Ru1 52.6(3) 8_565 .
C10 C7 C8 Ru1 -131.1(4) . .
P1 Ru1 C8 C8 -136.5(2) . 8_565
P1 Ru1 C8 C8 -52.0(2) 8_565 8_565
N1 Ru1 C8 C8 -58.0(8) 8_565 8_565
N1 Ru1 C8 C8 -132.6(8) . 8_565
C6 Ru1 C8 C8 65.79(12) . 8_565
C6 Ru1 C8 C8 102.28(13) 8_565 8_565
C7 Ru1 C8 C8 30.14(13) 8_565 8_565
C7 Ru1 C8 C8 130.1(2) . 8_565
Cl1 Ru1 C8 C8 126.35(19) . 8_565
C8 Ru1 C8 C7 -130.1(2) 8_565 .
P1 Ru1 C8 C7 93.4(3) . .
P1 Ru1 C8 C7 177.9(3) 8_565 .
N1 Ru1 C8 C7 171.9(8) 8_565 .
N1 Ru1 C8 C7 97.3(8) . .
C6 Ru1 C8 C7 -64.3(2) . .
C6 Ru1 C8 C7 -27.8(2) 8_565 .
C7 Ru1 C8 C7 -99.9(3) 8_565 .
Cl1 Ru1 C8 C7 -3.7(3) . .
C8 Ru1 C8 C11 113.5(3) 8_565 .
P1 Ru1 C8 C11 -23.1(4) . .
P1 Ru1 C8 C11 61.5(4) 8_565 .
N1 Ru1 C8 C11 55.5(9) 8_565 .
N1 Ru1 C8 C11 -19.2(9) . .
C6 Ru1 C8 C11 179.3(4) . .
C6 Ru1 C8 C11 -144.2(4) 8_565 .
C7 Ru1 C8 C11 143.6(4) 8_565 .
C7 Ru1 C8 C11 -116.4(5) . .
Cl1 Ru1 C8 C11 -120.2(3) . .
