#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:42:33 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185319 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/92/7039256.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_7039256
loop_
_publ_author_name
'Florindo, Pedro R.'
'Pereira, Diane M.'
'Borralho, Pedro M.'
'Costa, Paulo J.'
'Piedade, M. F. M.'
'Rodrigues, Cecília M P'
'Fernandes, Ana C.'
_publ_section_title
;
 New [(η(5)-C5H5)Ru(N-N)(PPh3)][PF6] compounds: colon anticancer activity
 and GLUT-mediated cellular uptake of carbohydrate-appended complexes.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11926
_journal_page_last               11930
_journal_paper_doi               10.1039/c6dt01571a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C41 H32 F6 N2 P2 Ru'
_chemical_formula_weight         829.69
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-12-23 deposited with the CCDC.
2016-05-11 downloaded from the CCDC.
;
_cell_angle_alpha                103.419(4)
_cell_angle_beta                 102.943(4)
_cell_angle_gamma                99.850(4)
_cell_formula_units_Z            2
_cell_length_a                   8.9767(9)
_cell_length_b                   11.4668(12)
_cell_length_c                   18.2078(19)
_cell_measurement_reflns_used    9898
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.07
_cell_measurement_theta_min      2.39
_cell_volume                     1726.8(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    SIR98
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0503
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            29218
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.093
_diffrn_reflns_theta_min         2.365
_exptl_absorpt_coefficient_mu    0.614
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6604
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_description       plate
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.160
_refine_diff_density_max         0.624
_refine_diff_density_min         -0.493
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     472
_refine_ls_number_reflns         7583
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0340P)²+0.8212P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0752
_refine_ls_wR_factor_ref         0.0779
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6685
_reflns_number_total             7583
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c6dt01571a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7039254--7039256.cif.'
_cod_database_code               7039256
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.791
_shelx_estimated_absorpt_t_max   0.908
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Ru1 Ru 0.70616(2) 0.40765(2) 0.82026(2) 0.01442(6) Uani 1 1 d . . .
P1 P 0.45902(6) 0.44831(4) 0.78375(3) 0.01452(11) Uani 1 1 d . . .
P2 P 1.0000 0.0000 1.0000 0.02098(17) Uani 1 2 d S . P
P3 P 0.0000 0.0000 0.5000 0.0335(2) Uani 1 2 d S . P
C121 C 0.2989(2) 0.33672(17) 0.79550(12) 0.0174(4) Uani 1 1 d . . .
C131 C 0.4003(2) 0.44579(19) 0.68039(12) 0.0189(4) Uani 1 1 d . . .
F1 F 1.08038(19) 0.14416(12) 1.03595(9) 0.0426(4) Uani 1 1 d . . .
N2 N 0.77586(19) 0.45375(15) 0.72480(10) 0.0166(4) Uani 1 1 d . . .
F2 F 0.88867(17) 0.01083(13) 1.05732(9) 0.0352(3) Uani 1 1 d . . .
C111 C 0.4197(2) 0.59319(18) 0.83621(12) 0.0173(4) Uani 1 1 d . . .
N1 N 0.6436(2) 0.23628(15) 0.73279(10) 0.0178(4) Uani 1 1 d . . .
F3 F 0.87167(18) 0.02938(15) 0.93496(9) 0.0410(4) Uani 1 1 d . . .
C10 C 0.7858(2) 0.35719(19) 0.66989(12) 0.0193(4) Uani 1 1 d . . .
C116 C 0.2644(2) 0.6054(2) 0.82511(13) 0.0219(5) Uani 1 1 d . . .
H116 H 0.1832 0.5422 0.7897 0.026 Uiso 1 1 calc R U .
F4 F 0.0014(2) 0.13909(14) 0.54022(11) 0.0585(5) Uani 1 1 d . . .
C136 C 0.3755(3) 0.3347(2) 0.62235(13) 0.0232(5) Uani 1 1 d . . .
H136 H 0.3820 0.2626 0.6367 0.028 Uiso 1 1 calc R U .
C23 C 0.7517(3) 0.5032(2) 0.94478(12) 0.0262(5) Uani 1 1 d . . .
H23 H 0.6881 0.5517 0.9639 0.031 Uiso 1 1 calc R U .
C13 C 0.9209(3) 0.5888(2) 0.66508(13) 0.0241(5) Uani 1 1 d . . .
C115 C 0.2302(3) 0.7099(2) 0.86602(14) 0.0263(5) Uani 1 1 d . . .
H115 H 0.1265 0.7170 0.8575 0.032 Uiso 1 1 calc R U .
C17 C 0.8057(3) 0.67507(19) 0.76806(13) 0.0223(5) Uani 1 1 d . . .
H17 H 0.7499 0.6649 0.8044 0.027 Uiso 1 1 calc R U .
C132 C 0.3939(3) 0.5529(2) 0.65777(13) 0.0256(5) Uani 1 1 d . . .
H132 H 0.4111 0.6276 0.6955 0.031 Uiso 1 1 calc R U .
C113 C 0.5039(3) 0.7961(2) 0.93051(13) 0.0251(5) Uani 1 1 d . . .
H113 H 0.5846 0.8604 0.9653 0.030 Uiso 1 1 calc R U .
C21 C 0.8554(3) 0.3383(2) 0.90659(13) 0.0231(5) Uani 1 1 d . . .
H21 H 0.8721 0.2590 0.8960 0.028 Uiso 1 1 calc R U .
C122 C 0.3107(2) 0.32636(19) 0.87094(12) 0.0199(4) Uani 1 1 d . . .
H122 H 0.3917 0.3797 0.9127 0.024 Uiso 1 1 calc R U .
C124 C 0.0815(3) 0.15729(19) 0.82226(14) 0.0246(5) Uani 1 1 d . . .
H124 H 0.0111 0.0957 0.8308 0.030 Uiso 1 1 calc R U .
C2 C 0.4975(3) 0.1196(2) 0.79951(14) 0.0256(5) Uani 1 1 d . . .
H2 H 0.5098 0.1919 0.8386 0.031 Uiso 1 1 calc R U .
C125 C 0.0661(3) 0.16939(19) 0.74829(14) 0.0252(5) Uani 1 1 d . . .
H125 H -0.0167 0.1174 0.7069 0.030 Uiso 1 1 calc R U .
C24 C 0.8834(3) 0.5450(2) 0.91909(12) 0.0252(5) Uani 1 1 d . . .
H24 H 0.9210 0.6251 0.9179 0.030 Uiso 1 1 calc R U .
C22 C 0.7329(3) 0.3746(2) 0.93659(13) 0.0248(5) Uani 1 1 d . . .
H22 H 0.6548 0.3241 0.9487 0.030 Uiso 1 1 calc R U .
C112 C 0.5388(3) 0.69074(19) 0.88899(12) 0.0204(4) Uani 1 1 d . . .
H112 H 0.6431 0.6853 0.8965 0.024 Uiso 1 1 calc R U .
C9 C 0.7028(3) 0.23597(19) 0.67144(13) 0.0203(4) Uani 1 1 d . . .
C18 C 0.8345(2) 0.57129(19) 0.71998(12) 0.0191(4) Uani 1 1 d . . .
C11 C 0.8710(3) 0.3698(2) 0.61474(13) 0.0253(5) Uani 1 1 d . . .
H11 H 0.8782 0.3001 0.5788 0.030 Uiso 1 1 calc R U .
C1 C 0.5624(3) 0.12394(19) 0.73665(13) 0.0225(5) Uani 1 1 d . . .
C6 C 0.5413(3) 0.0130(2) 0.67707(15) 0.0326(6) Uani 1 1 d . . .
C25 C 0.9480(3) 0.4415(2) 0.89525(13) 0.0235(5) Uani 1 1 d . . .
H25 H 1.0353 0.4421 0.8758 0.028 Uiso 1 1 calc R U .
C135 C 0.3416(3) 0.3315(2) 0.54393(13) 0.0294(5) Uani 1 1 d . . .
H135 H 0.3225 0.2570 0.5057 0.035 Uiso 1 1 calc R U .
C123 C 0.2029(3) 0.2373(2) 0.88509(14) 0.0236(5) Uani 1 1 d . . .
H123 H 0.2117 0.2311 0.9359 0.028 Uiso 1 1 calc R U .
C126 C 0.1736(2) 0.25909(19) 0.73401(13) 0.0215(5) Uani 1 1 d . . .
H126 H 0.1615 0.2670 0.6834 0.026 Uiso 1 1 calc R U .
C114 C 0.3498(3) 0.8048(2) 0.92004(14) 0.0269(5) Uani 1 1 d . . .
H114 H 0.3258 0.8738 0.9490 0.032 Uiso 1 1 calc R U .
C134 C 0.3360(3) 0.4382(2) 0.52238(14) 0.0337(6) Uani 1 1 d . . .
H134 H 0.3147 0.4360 0.4696 0.040 Uiso 1 1 calc R U .
F5 F 0.1816(2) 0.02588(18) 0.54293(14) 0.0802(7) Uani 1 1 d . . .
C133 C 0.3618(3) 0.5484(2) 0.57885(14) 0.0341(6) Uani 1 1 d . . .
H133 H 0.3576 0.6203 0.5640 0.041 Uiso 1 1 calc R U .
C12 C 0.9425(3) 0.4836(2) 0.61425(14) 0.0287(5) Uani 1 1 d . . .
H12 H 1.0053 0.4924 0.5807 0.034 Uiso 1 1 calc R U .
C8 C 0.6830(3) 0.1278(2) 0.61024(14) 0.0302(5) Uani 1 1 d . . .
H8 H 0.7236 0.1319 0.5679 0.036 Uiso 1 1 calc R U .
F6 F 0.0479(3) 0.04034(18) 0.42966(12) 0.0786(7) Uani 1 1 d . . .
C14 C 0.9768(3) 0.7105(2) 0.66198(15) 0.0348(6) Uani 1 1 d . . .
H14 H 1.0360 0.7232 0.6274 0.042 Uiso 1 1 calc R U .
C15 C 0.9454(3) 0.8089(2) 0.70877(15) 0.0388(7) Uani 1 1 d . . .
H15 H 0.9813 0.8880 0.7054 0.047 Uiso 1 1 calc R U .
C16 C 0.8586(3) 0.7911(2) 0.76221(14) 0.0307(5) Uani 1 1 d . . .
H16 H 0.8368 0.8586 0.7939 0.037 Uiso 1 1 calc R U .
C3 C 0.4157(3) 0.0095(2) 0.80384(17) 0.0345(6) Uani 1 1 d . . .
H3 H 0.3729 0.0078 0.8457 0.041 Uiso 1 1 calc R U .
C4 C 0.3967(4) -0.1002(2) 0.74536(19) 0.0466(8) Uani 1 1 d . . .
H4 H 0.3419 -0.1743 0.7489 0.056 Uiso 1 1 calc R U .
C7 C 0.6043(3) 0.0182(2) 0.61383(16) 0.0385(7) Uani 1 1 d . . .
H7 H 0.5921 -0.0535 0.5743 0.046 Uiso 1 1 calc R U .
C5 C 0.4574(4) -0.0987(2) 0.68403(19) 0.0488(8) Uani 1 1 d . . .
H5 H 0.4439 -0.1721 0.6457 0.059 Uiso 1 1 calc R U .
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'
N N 0.0061 0.0033 '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_
_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 N2 76.51(6) . .
N1 Ru1 C23 146.91(8) . .
N2 Ru1 C23 134.58(8) . .
N1 Ru1 C24 148.93(8) . .
N2 Ru1 C24 100.30(8) . .
C23 Ru1 C24 37.74(9) . .
N1 Ru1 C22 109.29(8) . .
N2 Ru1 C22 157.84(8) . .
C23 Ru1 C22 37.80(9) . .
C24 Ru1 C22 63.32(9) . .
N1 Ru1 C25 111.05(8) . .
N2 Ru1 C25 94.96(8) . .
C23 Ru1 C25 62.92(9) . .
C24 Ru1 C25 37.93(9) . .
C22 Ru1 C25 62.89(8) . .
N1 Ru1 C21 92.70(8) . .
N2 Ru1 C21 123.12(8) . .
C23 Ru1 C21 62.44(9) . .
C24 Ru1 C21 62.72(8) . .
C22 Ru1 C21 37.34(8) . .
C25 Ru1 C21 37.22(8) . .
N1 Ru1 P1 93.71(5) . .
N2 Ru1 P1 93.91(5) . .
C23 Ru1 P1 94.62(6) . .
C24 Ru1 P1 117.36(7) . .
C22 Ru1 P1 106.75(6) . .
C25 Ru1 P1 155.03(6) . .
C21 Ru1 P1 142.88(6) . .
C131 P1 C121 104.95(9) . .
C131 P1 C111 103.96(10) . .
C121 P1 C111 99.44(9) . .
C131 P1 Ru1 112.43(7) . .
C121 P1 Ru1 114.13(7) . .
C111 P1 Ru1 120.10(7) . .
F3 P2 F3 180.0 2_757 .
F3 P2 F2 90.09(8) 2_757 2_757
F3 P2 F2 89.91(8) . 2_757
F3 P2 F2 89.91(8) 2_757 .
F3 P2 F2 90.09(8) . .
F2 P2 F2 180.0 2_757 .
F3 P2 F1 89.96(9) 2_757 .
F3 P2 F1 90.04(9) . .
F2 P2 F1 89.84(8) 2_757 .
F2 P2 F1 90.16(8) . .
F3 P2 F1 90.04(9) 2_757 2_757
F3 P2 F1 89.96(9) . 2_757
F2 P2 F1 90.16(8) 2_757 2_757
F2 P2 F1 89.84(8) . 2_757
F1 P2 F1 180.0 . 2_757
F6 P3 F6 180.0 2_556 .
F6 P3 F5 91.90(13) 2_556 .
F6 P3 F5 88.10(13) . .
F6 P3 F5 88.10(13) 2_556 2_556
F6 P3 F5 91.90(13) . 2_556
F5 P3 F5 180.0 . 2_556
F6 P3 F4 89.65(10) 2_556 2_556
F6 P3 F4 90.35(10) . 2_556
F5 P3 F4 90.26(10) . 2_556
F5 P3 F4 89.74(10) 2_556 2_556
F6 P3 F4 90.35(10) 2_556 .
F6 P3 F4 89.65(10) . .
F5 P3 F4 89.74(10) . .
F5 P3 F4 90.26(10) 2_556 .
F4 P3 F4 180.00(13) 2_556 .
C122 C121 C126 118.81(19) . .
C122 C121 P1 116.48(15) . .
C126 C121 P1 124.62(17) . .
C132 C131 C136 118.8(2) . .
C132 C131 P1 121.86(16) . .
C136 C131 P1 119.06(17) . .
C10 N2 C18 117.80(18) . .
C10 N2 Ru1 114.34(14) . .
C18 N2 Ru1 127.00(13) . .
C112 C111 C116 118.01(19) . .
C112 C111 P1 122.64(16) . .
C116 C111 P1 119.32(15) . .
C9 N1 C1 117.77(17) . .
C9 N1 Ru1 115.13(13) . .
C1 N1 Ru1 126.76(14) . .
N2 C10 C11 122.77(19) . .
N2 C10 C9 115.30(19) . .
C11 C10 C9 121.93(19) . .
C115 C116 C111 120.9(2) . .
C115 C116 H116 119.6 . .
C111 C116 H116 119.6 . .
C135 C136 C131 120.4(2) . .
C135 C136 H136 119.8 . .
C131 C136 H136 119.8 . .
C24 C23 C22 108.7(2) . .
C24 C23 Ru1 71.21(12) . .
C22 C23 Ru1 71.77(12) . .
C24 C23 H23 125.6 . .
C22 C23 H23 125.6 . .
Ru1 C23 H23 123.0 . .
C12 C13 C14 122.8(2) . .
C12 C13 C18 118.4(2) . .
C14 C13 C18 118.8(2) . .
C116 C115 C114 120.4(2) . .
C116 C115 H115 119.8 . .
C114 C115 H115 119.8 . .
C16 C17 C18 120.9(2) . .
C16 C17 H17 119.5 . .
C18 C17 H17 119.5 . .
C133 C132 C131 120.0(2) . .
C133 C132 H132 120.0 . .
C131 C132 H132 120.0 . .
C114 C113 C112 119.9(2) . .
C114 C113 H113 120.0 . .
C112 C113 H113 120.0 . .
C25 C21 C22 109.1(2) . .
C25 C21 Ru1 71.10(12) . .
C22 C21 Ru1 71.03(13) . .
C25 C21 H21 125.4 . .
C22 C21 H21 125.4 . .
Ru1 C21 H21 124.0 . .
C121 C122 C123 121.0(2) . .
C121 C122 H122 119.5 . .
C123 C122 H122 119.5 . .
C125 C124 C123 120.1(2) . .
C125 C124 H124 120.0 . .
C123 C124 H124 120.0 . .
C3 C2 C1 120.6(2) . .
C3 C2 H2 119.7 . .
C1 C2 H2 119.7 . .
C124 C125 C126 120.7(2) . .
C124 C125 H125 119.6 . .
C126 C125 H125 119.6 . .
C23 C24 C25 107.5(2) . .
C23 C24 Ru1 71.05(12) . .
C25 C24 Ru1 71.64(12) . .
C23 C24 H24 126.3 . .
C25 C24 H24 126.3 . .
Ru1 C24 H24 122.7 . .
C21 C22 C23 107.0(2) . .
C21 C22 Ru1 71.63(12) . .
C23 C22 Ru1 70.44(12) . .
C21 C22 H22 126.5 . .
C23 C22 H22 126.5 . .
Ru1 C22 H22 123.1 . .
C113 C112 C111 121.0(2) . .
C113 C112 H112 119.5 . .
C111 C112 H112 119.5 . .
N1 C9 C8 123.0(2) . .
N1 C9 C10 115.47(18) . .
C8 C9 C10 121.5(2) . .
N2 C18 C17 120.31(19) . .
N2 C18 C13 120.97(19) . .
C17 C18 C13 118.7(2) . .
C12 C11 C10 119.9(2) . .
C12 C11 H11 120.1 . .
C10 C11 H11 120.1 . .
N1 C1 C2 119.88(19) . .
N1 C1 C6 121.1(2) . .
C2 C1 C6 119.0(2) . .
C7 C6 C5 122.6(2) . .
C7 C6 C1 118.7(2) . .
C5 C6 C1 118.7(2) . .
C21 C25 C24 107.7(2) . .
C21 C25 Ru1 71.68(12) . .
C24 C25 Ru1 70.44(12) . .
C21 C25 H25 126.2 . .
C24 C25 H25 126.2 . .
Ru1 C25 H25 123.4 . .
C134 C135 C136 120.1(2) . .
C134 C135 H135 119.9 . .
C136 C135 H135 119.9 . .
C122 C123 C124 119.3(2) . .
C122 C123 H123 120.3 . .
C124 C123 H123 120.3 . .
C121 C126 C125 120.0(2) . .
C121 C126 H126 120.0 . .
C125 C126 H126 120.0 . .
C113 C114 C115 119.7(2) . .
C113 C114 H114 120.2 . .
C115 C114 H114 120.2 . .
C135 C134 C133 120.1(2) . .
C135 C134 H134 120.0 . .
C133 C134 H134 120.0 . .
C134 C133 C132 120.5(2) . .
C134 C133 H133 119.7 . .
C132 C133 H133 119.7 . .
C11 C12 C13 119.5(2) . .
C11 C12 H12 120.3 . .
C13 C12 H12 120.3 . .
C7 C8 C9 119.4(2) . .
C7 C8 H8 120.3 . .
C9 C8 H8 120.3 . .
C15 C14 C13 121.0(2) . .
C15 C14 H14 119.5 . .
C13 C14 H14 119.5 . .
C14 C15 C16 120.0(2) . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C17 C16 C15 120.5(2) . .
C17 C16 H16 119.7 . .
C15 C16 H16 119.7 . .
C2 C3 C4 120.3(2) . .
C2 C3 H3 119.9 . .
C4 C3 H3 119.9 . .
C5 C4 C3 120.4(2) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C8 C7 C6 120.0(2) . .
C8 C7 H7 120.0 . .
C6 C7 H7 120.0 . .
C4 C5 C6 121.1(2) . .
C4 C5 H5 119.5 . .
C6 C5 H5 119.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N1 2.1173(17) .
Ru1 N2 2.1196(17) .
Ru1 C23 2.188(2) .
Ru1 C24 2.190(2) .
Ru1 C22 2.205(2) .
Ru1 C25 2.205(2) .
Ru1 C21 2.213(2) .
Ru1 P1 2.3277(6) .
P1 C131 1.829(2) .
P1 C121 1.840(2) .
P1 C111 1.847(2) .
P2 F3 1.5968(15) 2_757
P2 F3 1.5968(15) .
P2 F2 1.5977(13) 2_757
P2 F2 1.5977(13) .
P2 F1 1.5999(13) .
P2 F1 1.5999(13) 2_757
P3 F6 1.5788(19) 2_556
P3 F6 1.5788(19) .
P3 F5 1.5850(19) .
P3 F5 1.5851(19) 2_556
P3 F4 1.5897(15) 2_556
P3 F4 1.5897(15) .
C121 C122 1.388(3) .
C121 C126 1.394(3) .
C131 C132 1.389(3) .
C131 C136 1.401(3) .
N2 C10 1.339(3) .
N2 C18 1.391(3) .
C111 C112 1.396(3) .
C111 C116 1.399(3) .
N1 C9 1.339(3) .
N1 C1 1.393(3) .
C10 C11 1.410(3) .
C10 C9 1.470(3) .
C116 C115 1.378(3) .
C116 H116 0.9300 .
C136 C135 1.382(3) .
C136 H136 0.9300 .
C23 C24 1.416(3) .
C23 C22 1.423(3) .
C23 H23 0.9300 .
C13 C12 1.411(3) .
C13 C14 1.419(3) .
C13 C18 1.424(3) .
C115 C114 1.391(3) .
C115 H115 0.9300 .
C17 C16 1.371(3) .
C17 C18 1.405(3) .
C17 H17 0.9300 .
C132 C133 1.388(3) .
C132 H132 0.9300 .
C113 C114 1.378(3) .
C113 C112 1.393(3) .
C113 H113 0.9300 .
C21 C25 1.410(3) .
C21 C22 1.414(3) .
C21 H21 0.9300 .
C122 C123 1.394(3) .
C122 H122 0.9300 .
C124 C125 1.365(3) .
C124 C123 1.396(3) .
C124 H124 0.9300 .
C2 C3 1.377(3) .
C2 C1 1.403(3) .
C2 H2 0.9300 .
C125 C126 1.398(3) .
C125 H125 0.9300 .
C24 C25 1.428(3) .
C24 H24 0.9300 .
C22 H22 0.9300 .
C112 H112 0.9300 .
C9 C8 1.417(3) .
C11 C12 1.356(3) .
C11 H11 0.9300 .
C1 C6 1.420(3) .
C6 C7 1.400(4) .
C6 C5 1.419(3) .
C25 H25 0.9300 .
C135 C134 1.375(4) .
C135 H135 0.9300 .
C123 H123 0.9300 .
C126 H126 0.9300 .
C114 H114 0.9300 .
C134 C133 1.377(3) .
C134 H134 0.9300 .
C133 H133 0.9300 .
C12 H12 0.9300 .
C8 C7 1.355(3) .
C8 H8 0.9300 .
C14 C15 1.360(4) .
C14 H14 0.9300 .
C15 C16 1.404(4) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C3 C4 1.403(4) .
C3 H3 0.9300 .
C4 C5 1.350(4) .
C4 H4 0.9300 .
C7 H7 0.9300 .
C5 H5 0.9300 .
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
C131 P1 C121 C122 -176.33(16)
C111 P1 C121 C122 -69.02(18)
Ru1 P1 C121 C122 60.14(17)
C131 P1 C121 C126 7.1(2)
C111 P1 C121 C126 114.43(19)
Ru1 P1 C121 C126 -116.40(18)
C121 P1 C131 C132 126.68(19)
C111 P1 C131 C132 22.7(2)
Ru1 P1 C131 C132 -108.71(18)
C121 P1 C131 C136 -59.51(19)
C111 P1 C131 C136 -163.47(17)
Ru1 P1 C131 C136 65.10(18)
C131 P1 C111 C112 -115.76(18)
C121 P1 C111 C112 136.13(18)
Ru1 P1 C111 C112 11.0(2)
C131 P1 C111 C116 66.37(19)
C121 P1 C111 C116 -41.74(19)
Ru1 P1 C111 C116 -166.86(14)
C18 N2 C10 C11 8.8(3)
Ru1 N2 C10 C11 -161.34(17)
C18 N2 C10 C9 -171.86(18)
Ru1 N2 C10 C9 18.0(2)
C112 C111 C116 C115 -1.0(3)
P1 C111 C116 C115 176.99(17)
C132 C131 C136 C135 -1.6(3)
P1 C131 C136 C135 -175.58(18)
C111 C116 C115 C114 -0.8(3)
C136 C131 C132 C133 0.7(3)
P1 C131 C132 C133 174.51(19)
C126 C121 C122 C123 2.3(3)
P1 C121 C122 C123 -174.48(17)
C123 C124 C125 C126 1.9(3)
C22 C23 C24 C25 -0.5(2)
Ru1 C23 C24 C25 -62.80(15)
C22 C23 C24 Ru1 62.33(15)
C25 C21 C22 C23 -0.7(2)
Ru1 C21 C22 C23 -61.92(15)
C25 C21 C22 Ru1 61.21(15)
C24 C23 C22 C21 0.7(2)
Ru1 C23 C22 C21 62.71(15)
C24 C23 C22 Ru1 -61.98(15)
C114 C113 C112 C111 0.3(3)
C116 C111 C112 C113 1.2(3)
P1 C111 C112 C113 -176.66(17)
C1 N1 C9 C8 1.5(3)
Ru1 N1 C9 C8 175.28(18)
C1 N1 C9 C10 179.37(18)
Ru1 N1 C9 C10 -6.9(2)
N2 C10 C9 N1 -7.5(3)
C11 C10 C9 N1 171.9(2)
N2 C10 C9 C8 170.4(2)
C11 C10 C9 C8 -10.2(3)
C10 N2 C18 C17 170.0(2)
Ru1 N2 C18 C17 -21.2(3)
C10 N2 C18 C13 -8.3(3)
Ru1 N2 C18 C13 160.44(16)
C16 C17 C18 N2 -178.0(2)
C16 C17 C18 C13 0.4(3)
C12 C13 C18 N2 1.5(3)
C14 C13 C18 N2 179.4(2)
C12 C13 C18 C17 -176.8(2)
C14 C13 C18 C17 1.0(3)
N2 C10 C11 C12 -2.3(3)
C9 C10 C11 C12 178.3(2)
C9 N1 C1 C2 -179.6(2)
Ru1 N1 C1 C2 7.5(3)
C9 N1 C1 C6 -0.8(3)
Ru1 N1 C1 C6 -173.70(18)
C3 C2 C1 N1 179.4(2)
C3 C2 C1 C6 0.6(4)
N1 C1 C6 C7 0.2(4)
C2 C1 C6 C7 179.0(2)
N1 C1 C6 C5 -179.9(3)
C2 C1 C6 C5 -1.1(4)
C22 C21 C25 C24 0.4(2)
Ru1 C21 C25 C24 61.60(15)
C22 C21 C25 Ru1 -61.16(15)
C23 C24 C25 C21 0.0(2)
Ru1 C24 C25 C21 -62.40(15)
C23 C24 C25 Ru1 62.42(15)
C131 C136 C135 C134 1.8(4)
C121 C122 C123 C124 0.1(3)
C125 C124 C123 C122 -2.2(3)
C122 C121 C126 C125 -2.6(3)
P1 C121 C126 C125 173.88(17)
C124 C125 C126 C121 0.6(3)
C112 C113 C114 C115 -2.1(4)
C116 C115 C114 C113 2.4(4)
C136 C135 C134 C133 -1.0(4)
C135 C134 C133 C132 0.1(4)
C131 C132 C133 C134 0.0(4)
C10 C11 C12 C13 -4.8(4)
C14 C13 C12 C11 -172.7(2)
C18 C13 C12 C11 5.0(3)
N1 C9 C8 C7 -1.7(4)
C10 C9 C8 C7 -179.4(2)
C12 C13 C14 C15 175.9(3)
C18 C13 C14 C15 -1.8(4)
C13 C14 C15 C16 1.1(4)
C18 C17 C16 C15 -1.1(4)
C14 C15 C16 C17 0.4(4)
C1 C2 C3 C4 0.2(4)
C2 C3 C4 C5 -0.4(5)
C9 C8 C7 C6 1.0(4)
C5 C6 C7 C8 179.8(3)
C1 C6 C7 C8 -0.3(4)
C3 C4 C5 C6 -0.1(5)
C7 C6 C5 C4 -179.2(3)
C1 C6 C5 C4 0.8(5)
