#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/83/1518373.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_1518373
loop_
_publ_author_name
'Frik, Malgorzata'
'Martínez, Alberto'
'Elie, Benelita T.'
'Gonzalo, Oscar'
'Ramírez de Mingo, Daniel'
'Sanaú, Mercedes'
'Sánchez-Delgado, Roberto'
'Sadhukha, Tanmoy'
'Prabha, Swayam'
'Ramos, Joe W.'
'Marzo, Isabel'
'Contel, María'
_publ_section_title
;
 In vitro and in vivo evaluation of water-soluble iminophosphorane
 ruthenium(II) compounds. A potential chemotherapeutic agent for triple
 negative breast cancer.
;
_journal_issue                   23
_journal_name_full               'Journal of medicinal chemistry'
_journal_page_first              9995
_journal_page_last               10012
_journal_paper_doi               10.1021/jm5012337
_journal_volume                  57
_journal_year                    2014
_chemical_formula_sum            'C34 H33 Cl F6 N2 O P2 Ru'
_chemical_formula_weight         798.08
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 108.766(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   37.8820(15)
_cell_length_b                   10.8170(5)
_cell_length_c                   17.8540(4)
_cell_measurement_temperature    293(2)
_cell_volume                     6927.1(5)
_computing_cell_refinement       'Denzo and Scalepack(Otwinowski & Minor1997)'
_computing_data_collection       'Collect(Nonius BV, 1997-2000)'
_computing_data_reduction        'Denzo and Scalepack(Otwinowski & Minor1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0578
_diffrn_reflns_av_sigmaI/netI    0.0745
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13329
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    0.685
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3232
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.811
_refine_diff_density_min         -0.481
_refine_diff_density_rms         0.115
_refine_ls_extinction_coef       0.00090(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     427
_refine_ls_number_reflns         7878
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.1038
_refine_ls_R_factor_gt           0.0545
_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)+(0.0572P)²+20.2372P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1194
_refine_ls_wR_factor_ref         0.1467
_reflns_number_gt                5005
_reflns_number_total             7878
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jm5012337_si_002.cif
_cod_data_source_block           shelxl
_cod_depositor_comments          'Adding full bibliography for 1518373.cif.'
_cod_original_cell_volume        6927.1(4)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1518373
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_calc_flag
_atom_site_refinement_flags
Ru1 Ru 0.666303(10) 0.79717(4) 0.512570(19) 0.03468(13) Uani 1 1 d .
P1 P 0.60834(4) 0.62219(13) 0.70788(6) 0.0405(3) Uani 1 1 d .
Cl1 Cl 0.71109(4) 0.64603(15) 0.57849(8) 0.0600(4) Uani 1 1 d .
O1 O 0.63758(9) 0.7329(3) 0.58847(17) 0.0399(8) Uani 1 1 d .
N1 N 0.69047(11) 0.8981(4) 0.6167(2) 0.0388(9) Uani 1 1 d .
C1 C 0.71700(15) 0.9839(5) 0.6276(3) 0.0525(13) Uani 1 1 d .
H1A H 0.7234 1.0116 0.5844 0.063 Uiso 1 1 calc R
F1 F 0.73827(19) 0.1217(5) 0.4608(3) 0.143(2) Uani 1 1 d .
P2 P 0.7500 0.2500 0.5000 0.0489(5) Uani 1 2 d S
N2 N 0.64204(12) 0.7200(4) 0.7197(2) 0.0464(10) Uani 1 1 d .
F2 F 0.72732(14) 0.3200(6) 0.4228(3) 0.128(2) Uani 1 1 d .
C2 C 0.73520(17) 1.0326(6) 0.7019(3) 0.0642(16) Uani 1 1 d .
H2B H 0.7531 1.0942 0.7082 0.077 Uiso 1 1 calc R
P3 P 0.5000 0.2465(3) 0.7500 0.0775(8) Uani 1 2 d S
F3 F 0.78491(14) 0.2541(5) 0.4708(3) 0.1177(18) Uani 1 1 d .
C3 C 0.72652(19) 0.9886(7) 0.7664(3) 0.076(2) Uani 1 1 d .
H3A H 0.7391 1.0179 0.8169 0.091 Uiso 1 1 calc R
C4 C 0.69926(16) 0.9020(6) 0.7553(3) 0.0610(16) Uani 1 1 d .
H4A H 0.6926 0.8726 0.7978 0.073 Uiso 1 1 calc R
F4 F 0.5038(2) 0.1497(9) 0.6930(6) 0.231(4) Uani 1 1 d .
C5 C 0.68155(13) 0.8581(5) 0.6794(3) 0.0425(11) Uani 1 1 d .
F5 F 0.45791(15) 0.2556(8) 0.7071(5) 0.185(3) Uani 1 1 d .
C6 C 0.66357(16) 0.9531(5) 0.4358(3) 0.0554(14) Uani 1 1 d .
H6A H 0.6743 1.0319 0.4595 0.066 Uiso 1 1 calc R
F6 F 0.49420(17) 0.3577(7) 0.8041(3) 0.152(2) Uani 1 1 d .
C7 C 0.68705(15) 0.8652(6) 0.4202(3) 0.0521(14) Uani 1 1 d .
H7A H 0.7137 0.8839 0.4332 0.062 Uiso 1 1 calc R
C8 C 0.67464(16) 0.7423(6) 0.4005(3) 0.0555(14) Uani 1 1 d .
C9 C 0.63831(15) 0.7118(5) 0.3978(3) 0.0485(12) Uani 1 1 d .
H9A H 0.6312 0.6245 0.3960 0.058 Uiso 1 1 calc R
C10 C 0.61503(14) 0.8007(6) 0.4150(3) 0.0506(13) Uani 1 1 d .
H10A H 0.5920 0.7733 0.4239 0.061 Uiso 1 1 calc R
C11 C 0.62664(15) 0.9240(5) 0.4325(3) 0.0519(13) Uani 1 1 d .
C12 C 0.7004(2) 0.6469(8) 0.3865(4) 0.084(2) Uani 1 1 d .
H12A H 0.6978 0.6446 0.3312 0.127 Uiso 1 1 calc R
H12B H 0.6943 0.5673 0.4027 0.127 Uiso 1 1 calc R
H12C H 0.7257 0.6674 0.4165 0.127 Uiso 1 1 calc R
C13 C 0.6020(2) 1.0226(7) 0.4490(4) 0.079(2) Uani 1 1 d .
H13A H 0.6183 1.0899 0.4770 0.095 Uiso 1 1 calc R
C14 C 0.5776(2) 1.0743(8) 0.3682(5) 0.101(3) Uani 1 1 d .
H14A H 0.5617 1.1384 0.3764 0.151 Uiso 1 1 calc R
H14B H 0.5626 1.0090 0.3375 0.151 Uiso 1 1 calc R
H14C H 0.5934 1.1075 0.3404 0.151 Uiso 1 1 calc R
C15 C 0.5796(3) 0.9846(10) 0.4981(6) 0.125(4) Uani 1 1 d .
H15A H 0.5957 0.9550 0.5481 0.187 Uiso 1 1 calc R
H15B H 0.5628 0.9199 0.4718 0.187 Uiso 1 1 calc R
H15C H 0.5655 1.0540 0.5065 0.187 Uiso 1 1 calc R
C16 C 0.65181(13) 0.7633(5) 0.6605(2) 0.0391(11) Uani 1 1 d .
C21 C 0.65281(16) 0.4496(6) 0.6673(3) 0.0546(14) Uani 1 1 d .
H21A H 0.6676 0.5164 0.6636 0.066 Uiso 1 1 calc R
C22 C 0.6635(2) 0.3300(7) 0.6559(4) 0.0699(18) Uani 1 1 d .
H22A H 0.6856 0.3161 0.6451 0.084 Uiso 1 1 calc R
C23 C 0.6409(2) 0.2322(7) 0.6608(4) 0.081(2) Uani 1 1 d .
H23A H 0.6481 0.1520 0.6534 0.097 Uiso 1 1 calc R
C24 C 0.6085(3) 0.2507(7) 0.6762(4) 0.084(2) Uani 1 1 d .
H24A H 0.5933 0.1839 0.6781 0.100 Uiso 1 1 calc R
C25 C 0.59806(18) 0.3690(6) 0.6888(3) 0.0613(15) Uani 1 1 d .
H25A H 0.5761 0.3817 0.7005 0.074 Uiso 1 1 calc R
C26 C 0.62018(14) 0.4694(5) 0.6842(3) 0.0452(12) Uani 1 1 d .
C31 C 0.60219(15) 0.6136(5) 0.8035(3) 0.0439(11) Uani 1 1 d .
C32 C 0.63309(16) 0.6390(5) 0.8696(3) 0.0529(13) Uani 1 1 d .
H32A H 0.6557 0.6626 0.8638 0.063 Uiso 1 1 calc R
C33 C 0.6294(2) 0.6283(6) 0.9436(3) 0.0706(19) Uani 1 1 d .
H33A H 0.6497 0.6444 0.9883 0.085 Uiso 1 1 calc R
C34 C 0.5966(2) 0.5949(7) 0.9518(4) 0.086(2) Uani 1 1 d .
H34A H 0.5943 0.5911 1.0021 0.103 Uiso 1 1 calc R
C35 C 0.5668(2) 0.5665(7) 0.8879(4) 0.081(2) Uani 1 1 d .
H35A H 0.5446 0.5404 0.8948 0.097 Uiso 1 1 calc R
C36 C 0.56926(17) 0.5762(6) 0.8130(3) 0.0594(15) Uani 1 1 d .
H36A H 0.5488 0.5575 0.7691 0.071 Uiso 1 1 calc R
C41 C 0.56530(14) 0.6733(5) 0.6368(3) 0.0463(12) Uani 1 1 d .
C42 C 0.55048(18) 0.6181(7) 0.5652(3) 0.076(2) Uani 1 1 d .
H42A H 0.5611 0.5460 0.5538 0.092 Uiso 1 1 calc R
C43 C 0.5196(2) 0.6689(9) 0.5090(4) 0.098(3) Uani 1 1 d .
H43A H 0.5102 0.6323 0.4594 0.117 Uiso 1 1 calc R
C44 C 0.5034(2) 0.7673(9) 0.5248(4) 0.092(2) Uani 1 1 d .
H44A H 0.4819 0.7976 0.4874 0.110 Uiso 1 1 calc R
C45 C 0.5178(2) 0.8270(8) 0.5962(5) 0.095(3) Uani 1 1 d .
H45A H 0.5067 0.8991 0.6063 0.115 Uiso 1 1 calc R
C46 C 0.54881(19) 0.7789(7) 0.6530(4) 0.076(2) Uani 1 1 d .
H46A H 0.5585 0.8177 0.7018 0.091 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'
O O 0.0106 0.0060 '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'
F F 0.0171 0.0103 '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'
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
N1 Ru1 O1 76.72(13) . .
N1 Ru1 C10 137.04(19) . .
O1 Ru1 C10 90.45(17) . .
N1 Ru1 C6 94.28(18) . .
O1 Ru1 C6 137.5(2) . .
C10 Ru1 C6 68.0(2) . .
N1 Ru1 C7 109.62(19) . .
O1 Ru1 C7 170.77(16) . .
C10 Ru1 C7 80.4(2) . .
C6 Ru1 C7 37.5(2) . .
N1 Ru1 C9 173.46(19) . .
O1 Ru1 C9 105.56(17) . .
C10 Ru1 C9 37.8(2) . .
C6 Ru1 C9 79.9(2) . .
C7 Ru1 C9 67.4(2) . .
N1 Ru1 C11 105.36(19) . .
O1 Ru1 C11 103.78(17) . .
C10 Ru1 C11 37.8(2) . .
C6 Ru1 C11 38.0(2) . .
C7 Ru1 C11 68.4(2) . .
C9 Ru1 C11 68.2(2) . .
N1 Ru1 C8 142.8(2) . .
O1 Ru1 C8 138.42(19) . .
C10 Ru1 C8 68.0(2) . .
C6 Ru1 C8 68.0(2) . .
C7 Ru1 C8 37.8(2) . .
C9 Ru1 C8 37.2(2) . .
C11 Ru1 C8 81.1(2) . .
N1 Ru1 Cl1 83.13(12) . .
O1 Ru1 Cl1 83.62(10) . .
C10 Ru1 Cl1 136.67(17) . .
C6 Ru1 Cl1 137.20(17) . .
C7 Ru1 Cl1 103.53(16) . .
C9 Ru1 Cl1 103.15(15) . .
C11 Ru1 Cl1 169.71(15) . .
C8 Ru1 Cl1 88.63(16) . .
N2 P1 C31 104.3(2) . .
N2 P1 C26 112.7(2) . .
C31 P1 C26 107.1(2) . .
N2 P1 C41 112.8(2) . .
C31 P1 C41 108.7(2) . .
C26 P1 C41 110.8(2) . .
C16 O1 Ru1 115.3(3) . .
C1 N1 C5 118.8(4) . .
C1 N1 Ru1 125.8(3) . .
C5 N1 Ru1 114.7(3) . .
N1 C1 C2 121.5(5) . .
N1 C1 H1A 119.2 . .
C2 C1 H1A 119.2 . .
F1 P2 F1 180.0(5) 7_656 .
F1 P2 F2 87.8(3) 7_656 .
F1 P2 F2 92.2(4) . .
F1 P2 F2 92.2(4) 7_656 7_656
F1 P2 F2 87.8(4) . 7_656
F2 P2 F2 179.997(2) . 7_656
F1 P2 F3 91.4(3) 7_656 7_656
F1 P2 F3 88.6(3) . 7_656
F2 P2 F3 91.4(3) . 7_656
F2 P2 F3 88.6(3) 7_656 7_656
F1 P2 F3 88.6(3) 7_656 .
F1 P2 F3 91.4(3) . .
F2 P2 F3 88.6(3) . .
F2 P2 F3 91.4(3) 7_656 .
F3 P2 F3 179.998(1) 7_656 .
C16 N2 P1 122.9(3) . .
C3 C2 C1 119.2(5) . .
C3 C2 H2B 120.4 . .
C1 C2 H2B 120.4 . .
F4 P3 F4 91.3(9) . 2_656
F4 P3 F5 94.2(5) . 2_656
F4 P3 F5 90.9(4) 2_656 2_656
F4 P3 F5 91.0(4) . .
F4 P3 F5 94.2(5) 2_656 .
F5 P3 F5 172.7(7) 2_656 .
F4 P3 F6 174.8(5) . .
F4 P3 F6 93.1(5) 2_656 .
F5 P3 F6 88.5(4) 2_656 .
F5 P3 F6 86.0(4) . .
F4 P3 F6 93.1(5) . 2_656
F4 P3 F6 174.8(6) 2_656 2_656
F5 P3 F6 86.0(4) 2_656 2_656
F5 P3 F6 88.5(4) . 2_656
F6 P3 F6 82.6(6) . 2_656
C4 C3 C2 119.3(5) . .
C4 C3 H3A 120.4 . .
C2 C3 H3A 120.4 . .
C3 C4 C5 118.9(5) . .
C3 C4 H4A 120.5 . .
C5 C4 H4A 120.5 . .
N1 C5 C4 122.2(5) . .
N1 C5 C16 114.3(4) . .
C4 C5 C16 123.5(4) . .
C7 C6 C11 121.8(5) . .
C7 C6 Ru1 71.9(3) . .
C11 C6 Ru1 72.4(3) . .
C7 C6 H6A 118.6 . .
C11 C6 H6A 118.6 . .
Ru1 C6 H6A 118.6 . .
C6 C7 C8 120.6(5) . .
C6 C7 Ru1 70.6(3) . .
C8 C7 Ru1 72.4(3) . .
C6 C7 H7A 119.1 . .
C8 C7 H7A 119.1 . .
Ru1 C7 H7A 119.1 . .
C9 C8 C7 118.3(5) . .
C9 C8 C12 121.3(6) . .
C7 C8 C12 120.4(6) . .
C9 C8 Ru1 70.7(3) . .
C7 C8 Ru1 69.8(3) . .
C12 C8 Ru1 129.0(4) . .
C8 C9 C10 120.7(5) . .
C8 C9 Ru1 72.1(3) . .
C10 C9 Ru1 69.8(3) . .
C8 C9 H9A 118.9 . .
C10 C9 H9A 118.9 . .
Ru1 C9 H9A 118.9 . .
C9 C10 C11 121.6(5) . .
C9 C10 Ru1 72.4(3) . .
C11 C10 Ru1 72.6(3) . .
C9 C10 H10A 118.8 . .
C11 C10 H10A 118.8 . .
Ru1 C10 H10A 118.8 . .
C10 C11 C6 117.0(5) . .
C10 C11 C13 123.0(6) . .
C6 C11 C13 120.0(6) . .
C10 C11 Ru1 69.6(3) . .
C6 C11 Ru1 69.6(3) . .
C13 C11 Ru1 130.8(4) . .
C8 C12 H12A 109.5 . .
C8 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C8 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C15 C13 C11 115.7(6) . .
C15 C13 C14 111.9(7) . .
C11 C13 C14 107.1(6) . .
C15 C13 H13A 107.2 . .
C11 C13 H13A 107.2 . .
C14 C13 H13A 107.2 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
O1 C16 N2 125.9(4) . .
O1 C16 C5 117.1(4) . .
N2 C16 C5 117.0(4) . .
C26 C21 C22 120.0(6) . .
C26 C21 H21A 120.0 . .
C22 C21 H21A 120.0 . .
C23 C22 C21 119.2(6) . .
C23 C22 H22A 120.4 . .
C21 C22 H22A 120.4 . .
C24 C23 C22 121.3(7) . .
C24 C23 H23A 119.4 . .
C22 C23 H23A 119.4 . .
C23 C24 C25 119.7(7) . .
C23 C24 H24A 120.2 . .
C25 C24 H24A 120.2 . .
C24 C25 C26 120.4(6) . .
C24 C25 H25A 119.8 . .
C26 C25 H25A 119.8 . .
C21 C26 C25 119.4(5) . .
C21 C26 P1 120.1(4) . .
C25 C26 P1 120.3(4) . .
C36 C31 C32 120.1(4) . .
C36 C31 P1 122.2(4) . .
C32 C31 P1 117.6(4) . .
C33 C32 C31 118.6(5) . .
C33 C32 H32A 120.7 . .
C31 C32 H32A 120.7 . .
C34 C33 C32 120.6(6) . .
C34 C33 H33A 119.7 . .
C32 C33 H33A 119.7 . .
C33 C34 C35 121.1(5) . .
C33 C34 H34A 119.5 . .
C35 C34 H34A 119.5 . .
C34 C35 C36 120.2(6) . .
C34 C35 H35A 119.9 . .
C36 C35 H35A 119.9 . .
C31 C36 C35 119.5(5) . .
C31 C36 H36A 120.3 . .
C35 C36 H36A 120.3 . .
C42 C41 C46 119.0(5) . .
C42 C41 P1 122.3(4) . .
C46 C41 P1 118.4(4) . .
C41 C42 C43 120.3(6) . .
C41 C42 H42A 119.9 . .
C43 C42 H42A 119.9 . .
C44 C43 C42 120.9(7) . .
C44 C43 H43A 119.6 . .
C42 C43 H43A 119.6 . .
C43 C44 C45 120.7(7) . .
C43 C44 H44A 119.6 . .
C45 C44 H44A 119.6 . .
C44 C45 C46 119.5(7) . .
C44 C45 H45A 120.3 . .
C46 C45 H45A 120.3 . .
C41 C46 C45 119.7(6) . .
C41 C46 H46A 120.2 . .
C45 C46 H46A 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N1 2.095(4) .
Ru1 O1 2.110(3) .
Ru1 C10 2.152(5) .
Ru1 C6 2.155(5) .
Ru1 C7 2.171(5) .
Ru1 C9 2.186(4) .
Ru1 C11 2.191(5) .
Ru1 C8 2.204(5) .
Ru1 Cl1 2.3774(13) .
P1 N2 1.619(4) .
P1 C31 1.798(4) .
P1 C26 1.798(5) .
P1 C41 1.801(5) .
O1 C16 1.267(5) .
N1 C1 1.335(6) .
N1 C5 1.341(6) .
C1 C2 1.387(7) .
C1 H1A 0.9300 .
F1 P2 1.553(5) .
P2 F1 1.553(5) 7_656
P2 F2 1.565(4) .
P2 F2 1.565(4) 7_656
P2 F3 1.570(4) 7_656
P2 F3 1.570(4) .
N2 C16 1.314(6) .
C2 C3 1.380(9) .
C2 H2B 0.9300 .
P3 F4 1.498(7) .
P3 F4 1.498(7) 2_656
P3 F5 1.534(5) 2_656
P3 F5 1.534(5) .
P3 F6 1.602(7) .
P3 F6 1.602(7) 2_656
C3 C4 1.361(8) .
C3 H3A 0.9300 .
C4 C5 1.388(7) .
C4 H4A 0.9300 .
C5 C16 1.480(7) .
C6 C7 1.390(8) .
C6 C11 1.417(8) .
C6 H6A 0.9800 .
C7 C8 1.416(8) .
C7 H7A 0.9800 .
C8 C9 1.401(8) .
C8 C12 1.496(9) .
C9 C10 1.404(8) .
C9 H9A 0.9800 .
C10 C11 1.408(8) .
C10 H10A 0.9800 .
C11 C13 1.508(9) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C15 1.461(11) .
C13 C14 1.547(9) .
C13 H13A 0.9800 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C21 C26 1.380(7) .
C21 C22 1.391(9) .
C21 H21A 0.9300 .
C22 C23 1.382(10) .
C22 H22A 0.9300 .
C23 C24 1.359(11) .
C23 H23A 0.9300 .
C24 C25 1.379(10) .
C24 H24A 0.9300 .
C25 C26 1.390(8) .
C25 H25A 0.9300 .
C31 C36 1.373(7) .
C31 C32 1.396(7) .
C32 C33 1.378(7) .
C32 H32A 0.9300 .
C33 C34 1.347(9) .
C33 H33A 0.9300 .
C34 C35 1.358(9) .
C34 H34A 0.9300 .
C35 C36 1.375(7) .
C35 H35A 0.9300 .
C36 H36A 0.9300 .
C41 C42 1.358(7) .
C41 C46 1.377(8) .
C42 C43 1.387(8) .
C42 H42A 0.9300 .
C43 C44 1.303(11) .
C43 H43A 0.9300 .
C44 C45 1.375(11) .
C44 H44A 0.9300 .
C45 C46 1.383(9) .
C45 H45A 0.9300 .
C46 H46A 0.9300 .
