#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/45/7004581.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_7004581
loop_
_publ_author_name
'Armitt, David J.'
'Bruce, Michael I.'
'Gaudio, Maryka'
'Zaitseva, Natasha N.'
'Skelton, Brian W.'
'White, Allan H.'
'Le Guennic, Boris'
'Halet, Jean-François'
'Fox, Mark A.'
'Roberts, Rachel L.'
'Hartl, František'
'Low, Paul J.'
_publ_section_title
;
 Some transition metal complexes derived from mono- and di-ethynyl
 perfluorobenzenes
;
_journal_issue                   47
_journal_name_full               'Dalton Transactions'
_journal_page_first              6763
_journal_page_last               6775
_journal_paper_doi               10.1039/b808798a
_journal_year                    2008
_chemical_formula_moiety         'C44 H39 F5 P2 Ru1'
_chemical_formula_sum            'C44 H39 F5 P2 Ru'
_chemical_formula_weight         825.8
_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'
_cell_angle_alpha                90.00000
_cell_angle_beta                 100.864(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   8.6050(10)
_cell_length_b                   25.438(3)
_cell_length_c                   17.212(2)
_cell_measurement_reflns_used    4606
_cell_measurement_temperature    170
_cell_measurement_theta_max      28.41
_cell_measurement_theta_min      2.41
_cell_volume                     3700.1(7)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      170
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .043
_diffrn_reflns_av_sigmaI/netI    .057
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            33123
_diffrn_reflns_theta_full        28.8
_diffrn_reflns_theta_max         28.8
_diffrn_reflns_theta_min         1.45
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    .567
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  .91
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            very_pale_yellow
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          .36
_exptl_crystal_size_mid          .13
_exptl_crystal_size_min          .07
_refine_diff_density_max         1.021
_refine_diff_density_min         -.915
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    .962
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     469
_refine_ls_number_reflns         9336
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .058
_refine_ls_R_factor_gt           .044
_refine_ls_shift/su_max          .002
_refine_ls_shift/su_mean         .0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
w =1/(sig2(F2) + 22F^2)
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          .080
_refine_ls_wR_factor_ref         .111
_reflns_d_resolution_high        .731
_reflns_d_resolution_low         14.039
_reflns_Friedel_coverage         0
_reflns_limit_h_max              11
_reflns_limit_h_min              0
_reflns_limit_k_max              34
_reflns_limit_k_min              0
_reflns_limit_l_max              22
_reflns_limit_l_min              -23
_reflns_number_gt                7506
_reflns_number_total             9336
_reflns_threshold_expression     'I > 2.00 sig(I)'
_cod_data_source_file            b808798a.txt
_cod_data_source_block           br1177_compound_3
_cod_original_sg_symbol_Hall     -p_2ybc
_cod_original_sg_symbol_H-M      P_1_21/c_1
_cod_original_formula_sum        'C44 H39 F5 P2 Ru1'
_cod_database_code               7004581
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
-x,1/2+y,1/2-z
-x,-y,-z
+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru .33353(3) .618800(9) .232617(14) .01468(11) Uani ? ? 1.00000 ? ?
P1 .46139(9) .54481(3) .28322(5) .0172(3) Uani ? ? 1.00000 ? ?
C111 .3456(4) .49131(13) .3177(2) .0223(14) Uani ? ? 1.00000 ? ?
C112 .2832(4) .45189(14) .2642(2) .0268(15) Uani ? ? 1.00000 ? ?
C113 .1881(4) .41289(14) .2864(3) .0346(18) Uani ? ? 1.00000 ? ?
C114 .1539(5) .41223(17) .3619(3) .042(2) Uani ? ? 1.00000 ? ?
C115 .2134(5) .4514(2) .4146(3) .043(2) Uani ? ? 1.00000 ? ?
C116 .3080(5) .49123(16) .3933(2) .0313(17) Uani ? ? 1.00000 ? ?
C121 .5743(4) .50523(12) .2236(2) .0196(13) Uani ? ? 1.00000 ? ?
C122 .5622(4) .51351(14) .1431(2) .0254(15) Uani ? ? 1.00000 ? ?
C123 .6510(4) .48365(14) .0997(2) .0273(16) Uani ? ? 1.00000 ? ?
C124 .7530(4) .44550(15) .1370(2) .0299(17) Uani ? ? 1.00000 ? ?
C125 .7643(4) .43619(14) .2169(2) .0307(17) Uani ? ? 1.00000 ? ?
C126 .6745(4) .46511(13) .2598(2) .0238(15) Uani ? ? 1.00000 ? ?
C10 .6154(4) .56117(13) .37170(19) .0216(14) Uani ? ? 1.00000 ? ?
C20 .6505(4) .62032(13) .3749(2) .0200(13) Uani ? ? 1.00000 ? ?
P2 .45857(9) .65340(3) .34854(5) .0170(3) Uani ? ? 1.00000 ? ?
C211 .3795(4) .64427(13) .43936(19) .0214(14) Uani ? ? 1.00000 ? ?
C212 .2363(4) .61958(15) .4372(2) .0289(16) Uani ? ? 1.00000 ? ?
C213 .1739(5) .6128(2) .5053(3) .042(2) Uani ? ? 1.00000 ? ?
C214 .2587(5) .62999(17) .5772(2) .036(2) Uani ? ? 1.00000 ? ?
C215 .4045(5) .65390(17) .5812(2) .036(2) Uani ? ? 1.00000 ? ?
C216 .4642(5) .66113(15) .5126(2) .0298(17) Uani ? ? 1.00000 ? ?
C221 .4974(4) .72456(12) .3496(2) .0205(13) Uani ? ? 1.00000 ? ?
C222 .6048(4) .74387(14) .3059(2) .0265(15) Uani ? ? 1.00000 ? ?
C223 .6211(5) .79735(15) .2961(2) .0315(17) Uani ? ? 1.00000 ? ?
C224 .5298(5) .83228(14) .3296(2) .0341(18) Uani ? ? 1.00000 ? ?
C225 .4235(5) .81324(15) .3738(3) .0362(19) Uani ? ? 1.00000 ? ?
C226 .4067(5) .75957(15) .3839(2) .0296(17) Uani ? ? 1.00000 ? ?
C1 .5232(4) .63848(12) .18738(19) .0196(13) Uani ? ? 1.00000 ? ?
C2 .6199(4) .65352(14) .1490(2) .0250(15) Uani ? ? 1.00000 ? ?
C21 .7120(4) .67140(14) .09236(19) .0220(14) Uani ? ? 1.00000 ? ?
C22 .7567(4) .72392(14) .0872(2) .0245(15) Uani ? ? 1.00000 ? ?
F22 .7200(3) .75927(9) .13844(14) .0391(12) Uani ? ? 1.00000 ? ?
C23 .8388(4) .74191(16) .0306(2) .0307(17) Uani ? ? 1.00000 ? ?
F23 .8785(3) .79268(10) .02845(16) .0453(13) Uani ? ? 1.00000 ? ?
C24 .8812(4) .70733(17) -.0230(2) .0329(18) Uani ? ? 1.00000 ? ?
F24 .9630(3) .72377(12) -.07783(15) .0471(14) Uani ? ? 1.00000 ? ?
C25 .8377(4) .65540(17) -.0207(2) .0318(18) Uani ? ? 1.00000 ? ?
F25 .8775(3) .62105(11) -.07370(15) .0458(14) Uani ? ? 1.00000 ? ?
C26 .7560(4) .63834(15) .0356(2) .0284(16) Uani ? ? 1.00000 ? ?
F26 .7135(3) .58748(10) .03435(15) .0428(13) Uani ? ? 1.00000 ? ?
C101 .1935(4) .63626(14) .1118(2) .0239(15) Uani ? ? 1.00000 ? ?
C1011 .2593(5) .64114(17) .0377(2) .0323(18) Uani ? ? 1.00000 ? ?
C102 .1289(4) .59015(14) .1395(2) .0220(14) Uani ? ? 1.00000 ? ?
C1021 .1048(5) .53774(16) .0969(2) .0354(18) Uani ? ? 1.00000 ? ?
C103 .0690(4) .60358(13) .2091(2) .0214(14) Uani ? ? 1.00000 ? ?
C1031 -.0309(4) .56762(15) .2494(2) .0289(16) Uani ? ? 1.00000 ? ?
C104 .0948(3) .65835(13) .2235(2) .0210(14) Uani ? ? 1.00000 ? ?
C1041 .0303(4) .69173(16) .2818(2) .0307(17) Uani ? ? 1.00000 ? ?
C105 .1760(4) .67878(14) .1643(2) .0230(14) Uani ? ? 1.00000 ? ?
C1051 .2217(5) .73473(15) .1545(3) .0342(18) Uani ? ? 1.00000 ? ?
H112 .30793 .45148 .21279 .03400 Uiso ? ? 1.00000 ? ?
H113 .14322 .38677 .24914 .04200 Uiso ? ? 1.00000 ? ?
H114 .09269 .38412 .37770 .04900 Uiso ? ? 1.00000 ? ?
H115 .18339 .45239 .46530 .04900 Uiso ? ? 1.00000 ? ?
H116 .35025 .51744 .42982 .03800 Uiso ? ? 1.00000 ? ?
H122 .49117 .53947 .11733 .03100 Uiso ? ? 1.00000 ? ?
H123 .64421 .49011 .04436 .03500 Uiso ? ? 1.00000 ? ?
H124 .81650 .42574 .10722 .03500 Uiso ? ? 1.00000 ? ?
H125 .83411 .40944 .24276 .03500 Uiso ? ? 1.00000 ? ?
H126 .67794 .45789 .31454 .02900 Uiso ? ? 1.00000 ? ?
H10a .57970 .55065 .41827 .02500 Uiso ? ? 1.00000 ? ?
H10b .71060 .54224 .36865 .02500 Uiso ? ? 1.00000 ? ?
H20a .71800 .62920 .33927 .02400 Uiso ? ? 1.00000 ? ?
H20b .70202 .62993 .42755 .02400 Uiso ? ? 1.00000 ? ?
H212 .17645 .60649 .38777 .03600 Uiso ? ? 1.00000 ? ?
H213 .07474 .59573 .50317 .04900 Uiso ? ? 1.00000 ? ?
H214 .21297 .62509 .62328 .04200 Uiso ? ? 1.00000 ? ?
H215 .46187 .66525 .63097 .04300 Uiso ? ? 1.00000 ? ?
H216 .56503 .67803 .51543 .03500 Uiso ? ? 1.00000 ? ?
H222 .66905 .71983 .28276 .03000 Uiso ? ? 1.00000 ? ?
H223 .69599 .81036 .26669 .03600 Uiso ? ? 1.00000 ? ?
H224 .54228 .86890 .32294 .04000 Uiso ? ? 1.00000 ? ?
H225 .35792 .83803 .39627 .04100 Uiso ? ? 1.00000 ? ?
H226 .33443 .74648 .41564 .03200 Uiso ? ? 1.00000 ? ?
H1011a .31927 .61016 .03107 .04700 Uiso ? ? 1.00000 ? ?
H1011b .32831 .67070 .04176 .04700 Uiso ? ? 1.00000 ? ?
H1011c .17659 .64543 -.00718 .04700 Uiso ? ? 1.00000 ? ?
H1021a .19540 .53004 .07502 .05200 Uiso ? ? 1.00000 ? ?
H1021b .01474 .54069 .05518 .05200 Uiso ? ? 1.00000 ? ?
H1021c .08906 .51097 .13305 .05200 Uiso ? ? 1.00000 ? ?
H1031a -.13674 .56625 .22057 .04400 Uiso ? ? 1.00000 ? ?
H1031b .01231 .53303 .25321 .04400 Uiso ? ? 1.00000 ? ?
H1031c -.03280 .57970 .30195 .04400 Uiso ? ? 1.00000 ? ?
H1041a -.04205 .71647 .25422 .04500 Uiso ? ? 1.00000 ? ?
H1041b .11553 .71011 .31435 .04500 Uiso ? ? 1.00000 ? ?
H1041c -.02075 .67016 .31495 .04500 Uiso ? ? 1.00000 ? ?
H1051a .18773 .75443 .19525 .04900 Uiso ? ? 1.00000 ? ?
H1051b .16583 .74621 .10453 .04900 Uiso ? ? 1.00000 ? ?
H1051c .33317 .73751 .15939 .04900 Uiso ? ? 1.00000 ? ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C ? 0 176 .002 .002 'Int Tables Vol IV Tables 2.2B and 2.3.1'
H ? 0 156 0 0 'Int Tables Vol IV Tables 2.2B and 2.3.1'
F ? 0 20 .014 .01 'Int Tables Vol IV Tables 2.2B and 2.3.1'
P ? 0 8 .09 .095 'Int Tables Vol IV Tables 2.2B and 2.3.1'
Ru ? 0 4 -1.42 .836 'Int Tables Vol IV Tables 2.2B and 2.3.1'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 Ru P2 . . . 82.44(3) ?
P1 Ru C1 . . . 89.12(9) ?
P1 Ru C101 . . . 131.08(10) ?
P1 Ru C102 . . . 105.11(9) ?
P1 Ru C103 . . . 108.93(9) ?
P1 Ru C104 . . . 139.68(9) ?
P1 Ru C105 . . . 167.12(9) ?
P2 Ru C1 . . . 87.62(9) ?
P2 Ru C101 . . . 145.59(10) ?
P2 Ru C102 . . . 157.98(9) ?
P2 Ru C103 . . . 121.26(9) ?
P2 Ru C104 . . . 99.37(8) ?
P2 Ru C105 . . . 109.95(9) ?
C1 Ru C101 . . . 85.69(12) ?
C1 Ru C102 . . . 112.80(12) ?
C1 Ru C103 . . . 146.95(12) ?
C1 Ru C104 . . . 131.12(12) ?
C1 Ru C105 . . . 94.77(13) ?
C101 Ru C102 . . . 36.66(13) ?
C101 Ru C103 . . . 61.49(13) ?
C101 Ru C104 . . . 61.71(12) ?
C101 Ru C105 . . . 37.47(13) ?
C102 Ru C103 . . . 36.81(12) ?
C102 Ru C104 . . . 61.34(12) ?
C102 Ru C105 . . . 62.08(12) ?
C103 Ru C104 . . . 36.63(12) ?
C103 Ru C105 . . . 62.09(12) ?
C104 Ru C105 . . . 37.33(13) ?
Ru P1 C111 . . . 118.82(11) ?
Ru P1 C121 . . . 120.57(11) ?
Ru P1 C10 . . . 110.26(11) ?
C111 P1 C121 . . . 98.59(15) ?
C111 P1 C10 . . . 104.16(15) ?
C121 P1 C10 . . . 102.03(14) ?
P1 C111 C112 . . . 118.7(3) ?
P1 C111 C116 . . . 122.2(3) ?
C112 C111 C116 . . . 118.9(3) ?
C111 C112 C113 . . . 120.4(4) ?
C111 C112 H112 . . . 119.8 ?
C113 C112 H112 . . . 119.8 ?
C112 C113 C114 . . . 120.6(4) ?
C112 C113 H113 . . . 119.9 ?
C114 C113 H113 . . . 119.5 ?
C113 C114 C115 . . . 119.3(4) ?
C113 C114 H114 . . . 120.0 ?
C115 C114 H114 . . . 120.6 ?
C114 C115 C116 . . . 121.0(4) ?
C114 C115 H115 . . . 119.2 ?
C116 C115 H115 . . . 119.6 ?
C111 C116 C115 . . . 119.7(4) ?
C111 C116 H116 . . . 119.5 ?
C115 C116 H116 . . . 120.8 ?
P1 C121 C122 . . . 121.7(2) ?
P1 C121 C126 . . . 119.7(3) ?
C122 C121 C126 . . . 118.6(3) ?
C121 C122 C123 . . . 120.6(3) ?
C121 C122 H122 . . . 119.5 ?
C123 C122 H122 . . . 119.9 ?
C122 C123 C124 . . . 119.9(3) ?
C122 C123 H123 . . . 120.3 ?
C124 C123 H123 . . . 119.8 ?
C123 C124 C125 . . . 120.2(4) ?
C123 C124 H124 . . . 119.7 ?
C125 C124 H124 . . . 120.2 ?
C124 C125 C126 . . . 120.0(3) ?
C124 C125 H125 . . . 120.3 ?
C126 C125 H125 . . . 119.7 ?
C121 C126 C125 . . . 120.7(3) ?
C121 C126 H126 . . . 118.6 ?
C125 C126 H126 . . . 120.6 ?
P1 C10 C20 . . . 110.6(2) ?
P1 C10 H10a . . . 109.5 ?
P1 C10 H10b . . . 109.0 ?
C20 C10 H10a . . . 109.8 ?
C20 C10 H10b . . . 109.2 ?
H10a C10 H10b . . . 108.7 ?
C10 C20 P2 . . . 106.2(2) ?
C10 C20 H20a . . . 110.6 ?
C10 C20 H20b . . . 109.6 ?
P2 C20 H20a . . . 111.3 ?
P2 C20 H20b . . . 110.5 ?
H20a C20 H20b . . . 108.6 ?
Ru P2 C20 . . . 107.26(11) ?
Ru P2 C211 . . . 120.80(11) ?
Ru P2 C221 . . . 116.57(10) ?
C20 P2 C211 . . . 101.12(15) ?
C20 P2 C221 . . . 107.20(15) ?
C211 P2 C221 . . . 102.23(16) ?
P2 C211 C212 . . . 120.6(2) ?
P2 C211 C216 . . . 121.0(3) ?
C212 C211 C216 . . . 118.4(3) ?
C211 C212 C213 . . . 121.3(3) ?
C211 C212 H212 . . . 120.4 ?
C213 C212 H212 . . . 118.2 ?
C212 C213 C214 . . . 119.5(4) ?
C212 C213 H213 . . . 120.7 ?
C214 C213 H213 . . . 119.8 ?
C213 C214 C215 . . . 120.3(4) ?
C213 C214 H214 . . . 118.0 ?
C215 C214 H214 . . . 121.7 ?
C214 C215 C216 . . . 119.6(3) ?
C214 C215 H215 . . . 119.4 ?
C216 C215 H215 . . . 121.0 ?
C211 C216 C215 . . . 120.9(4) ?
C211 C216 H216 . . . 119.6 ?
C215 C216 H216 . . . 119.5 ?
P2 C221 C222 . . . 118.8(3) ?
P2 C221 C226 . . . 121.3(3) ?
C222 C221 C226 . . . 119.3(3) ?
C221 C222 C223 . . . 120.6(4) ?
C221 C222 H222 . . . 119.6 ?
C223 C222 H222 . . . 119.8 ?
C222 C223 C224 . . . 120.2(4) ?
C222 C223 H223 . . . 120.2 ?
C224 C223 H223 . . . 119.6 ?
C223 C224 C225 . . . 119.4(4) ?
C223 C224 H224 . . . 119.7 ?
C225 C224 H224 . . . 120.9 ?
C224 C225 C226 . . . 120.6(4) ?
C224 C225 H225 . . . 119.0 ?
C226 C225 H225 . . . 120.4 ?
C221 C226 C225 . . . 119.9(4) ?
C221 C226 H226 . . . 119.7 ?
C225 C226 H226 . . . 120.4 ?
Ru C1 C2 . . . 168.9(3) ?
C1 C2 C21 . . . 170.2(3) ?
C2 C21 C22 . . . 122.5(3) ?
C2 C21 C26 . . . 122.7(3) ?
C22 C21 C26 . . . 114.7(3) ?
C21 C22 F22 . . . 119.9(3) ?
C21 C22 C23 . . . 122.9(3) ?
F22 C22 C23 . . . 117.2(3) ?
C22 C23 F23 . . . 120.4(4) ?
C22 C23 C24 . . . 119.8(4) ?
F23 C23 C24 . . . 119.9(4) ?
C23 C24 F24 . . . 120.8(4) ?
C23 C24 C25 . . . 119.2(4) ?
F24 C24 C25 . . . 119.9(4) ?
C24 C25 F25 . . . 119.8(4) ?
C24 C25 C26 . . . 120.1(4) ?
F25 C25 C26 . . . 120.1(4) ?
C21 C26 C25 . . . 123.2(4) ?
C21 C26 F26 . . . 118.8(3) ?
C25 C26 F26 . . . 117.9(4) ?
Ru C101 C1011 . . . 125.7(2) ?
Ru C101 C102 . . . 72.61(18) ?
Ru C101 C105 . . . 70.60(18) ?
C1011 C101 C102 . . . 126.2(3) ?
C1011 C101 C105 . . . 125.1(3) ?
C102 C101 C105 . . . 108.5(3) ?
C101 C1011 H1011a . . . 109.4 ?
C101 C1011 H1011b . . . 109.5 ?
C101 C1011 H1011c . . . 110.9 ?
H1011a C1011 H1011b . . . 108.3 ?
H1011a C1011 H1011c . . . 109.5 ?
H1011b C1011 H1011c . . . 109.2 ?
Ru C102 C101 . . . 70.72(17) ?
Ru C102 C1021 . . . 129.9(2) ?
Ru C102 C103 . . . 71.69(17) ?
C101 C102 C1021 . . . 126.3(3) ?
C101 C102 C103 . . . 108.0(3) ?
C1021 C102 C103 . . . 125.2(3) ?
C102 C1021 H1021a . . . 109.0 ?
C102 C1021 H1021b . . . 108.2 ?
C102 C1021 H1021c . . . 109.7 ?
H1021a C1021 H1021b . . . 109.2 ?
H1021a C1021 H1021c . . . 110.0 ?
H1021b C1021 H1021c . . . 110.7 ?
Ru C103 C102 . . . 71.51(18) ?
Ru C103 C1031 . . . 131.3(2) ?
Ru C103 C104 . . . 71.56(17) ?
C102 C103 C1031 . . . 124.4(3) ?
C102 C103 C104 . . . 108.0(3) ?
C1031 C103 C104 . . . 126.6(3) ?
C103 C1031 H1031a . . . 110.7 ?
C103 C1031 H1031b . . . 110.0 ?
C103 C1031 H1031c . . . 110.6 ?
H1031a C1031 H1031b . . . 108.9 ?
H1031a C1031 H1031c . . . 108.6 ?
H1031b C1031 H1031c . . . 107.9 ?
Ru C104 C103 . . . 71.81(18) ?
Ru C104 C1041 . . . 130.6(2) ?
Ru C104 C105 . . . 69.77(18) ?
C103 C104 C1041 . . . 127.2(3) ?
C103 C104 C105 . . . 108.1(3) ?
C1041 C104 C105 . . . 124.1(3) ?
C104 C1041 H1041a . . . 109.4 ?
C104 C1041 H1041b . . . 109.2 ?
C104 C1041 H1041c . . . 110.1 ?
H1041a C1041 H1041b . . . 109.1 ?
H1041a C1041 H1041c . . . 110.4 ?
H1041b C1041 H1041c . . . 108.6 ?
Ru C105 C101 . . . 71.93(19) ?
Ru C105 C104 . . . 72.90(18) ?
Ru C105 C1051 . . . 124.5(2) ?
C101 C105 C104 . . . 107.2(3) ?
C101 C105 C1051 . . . 125.9(3) ?
C104 C105 C1051 . . . 126.7(3) ?
C105 C1051 H1051a . . . 107.1 ?
C105 C1051 H1051b . . . 107.2 ?
C105 C1051 H1051c . . . 110.1 ?
H1051a C1051 H1051b . . . 109.4 ?
H1051a C1051 H1051c . . . 109.9 ?
H1051b C1051 H1051c . . . 112.9 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru P1 . . 2.2694(8) ?
Ru P2 . . 2.2592(8) ?
Ru C1 . . 2.000(3) ?
Ru C101 . . 2.242(3) ?
Ru C102 . . 2.267(3) ?
Ru C103 . . 2.269(3) ?
Ru C104 . . 2.266(3) ?
Ru C105 . . 2.224(3) ?
P1 C111 . . 1.849(4) ?
P1 C121 . . 1.840(4) ?
P1 C10 . . 1.868(3) ?
C111 C112 . . 1.398(5) ?
C111 C116 . . 1.399(5) ?
C112 C113 . . 1.385(5) ?
C112 H112 . . .949 ?
C113 C114 . . 1.386(7) ?
C113 H113 . . .954 ?
C114 C115 . . 1.380(6) ?
C114 H114 . . .957 ?
C115 C116 . . 1.391(6) ?
C115 H115 . . .955 ?
C116 H116 . . .941 ?
C121 C122 . . 1.386(5) ?
C121 C126 . . 1.404(4) ?
C122 C123 . . 1.391(5) ?
C122 H122 . . .951 ?
C123 C124 . . 1.383(5) ?
C123 H123 . . .957 ?
C124 C125 . . 1.381(6) ?
C124 H124 . . .959 ?
C125 C126 . . 1.378(6) ?
C125 H125 . . .960 ?
C126 H126 . . .955 ?
C10 C20 . . 1.534(5) ?
C10 H10a . . .949 ?
C10 H10b . . .960 ?
C20 P2 . . 1.833(3) ?
C20 H20a . . .948 ?
C20 H20b . . .962 ?
P2 C211 . . 1.834(4) ?
P2 C221 . . 1.840(3) ?
C211 C212 . . 1.377(5) ?
C211 C216 . . 1.399(5) ?
C212 C213 . . 1.390(6) ?
C212 H212 . . .967 ?
C213 C214 . . 1.383(6) ?
C213 H213 . . .952 ?
C214 C215 . . 1.384(6) ?
C214 H214 . . .958 ?
C215 C216 . . 1.386(6) ?
C215 H215 . . .949 ?
C216 H216 . . .962 ?
C221 C222 . . 1.387(5) ?
C221 C226 . . 1.387(5) ?
C222 C223 . . 1.381(5) ?
C222 H222 . . .960 ?
C223 C224 . . 1.383(6) ?
C223 H223 . . .950 ?
C224 C225 . . 1.383(7) ?
C224 H224 . . .947 ?
C225 C226 . . 1.387(5) ?
C225 H225 . . .974 ?
C226 H226 . . .961 ?
C1 C2 . . 1.217(5) ?
C2 C21 . . 1.442(5) ?
C21 C22 . . 1.398(5) ?
C21 C26 . . 1.394(5) ?
C22 F22 . . 1.338(4) ?
C22 C23 . . 1.384(6) ?
C23 F23 . . 1.338(5) ?
C23 C24 . . 1.373(6) ?
C24 F24 . . 1.346(5) ?
C24 C25 . . 1.375(6) ?
C25 F25 . . 1.352(5) ?
C25 C26 . . 1.371(6) ?
C26 F26 . . 1.344(5) ?
C101 C1011 . . 1.495(5) ?
C101 C102 . . 1.418(5) ?
C101 C105 . . 1.435(5) ?
C1011 H1011a . . .960 ?
C1011 H1011b . . .953 ?
C1011 H1011c . . .953 ?
C102 C1021 . . 1.516(5) ?
C102 C103 . . 1.432(5) ?
C1021 H1021a . . .948 ?
C1021 H1021b . . .956 ?
C1021 H1021c . . .949 ?
C103 C1031 . . 1.510(5) ?
C103 C104 . . 1.425(5) ?
C1031 H1031a . . .952 ?
C1031 H1031b . . .953 ?
C1031 H1031c . . .958 ?
C104 C1041 . . 1.499(5) ?
C104 C105 . . 1.437(5) ?
C1041 H1041a . . .947 ?
C1041 H1041b . . .957 ?
C1041 H1041c . . .956 ?
C105 C1051 . . 1.494(5) ?
C1051 H1051a . . .952 ?
C1051 H1051b . . .949 ?
C1051 H1051c . . .949 ?
