#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:24:52 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180077 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/23/7052342.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_7052342
loop_
_publ_author_name
'Alba E. Díaz-Álvarez'
'Pascale Crochet'
'Maria Zablocka'
'Victorio Cadierno'
'Carine Duhayon'
'José Gimeno'
'Jean-Pierre Majoral'
_publ_section_title
;
 Imination reactions of free and coordinated
 2-diphenylphosphino-1-phenyl-phospholane: Access to regioisomeric
 ruthenium(<small>II</small>) complexes containing novel
 iminophosphorane--phosphine ligands
;
_journal_issue                   9
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1295
_journal_paper_doi               10.1039/b606781f
_journal_volume                  30
_journal_year                    2006
_chemical_formula_moiety
'C78 H72 Cl2 F8 N4 P4 Ru2, 2(C4 H10 O), 2(F6 Sb) '
_chemical_formula_sum            'C86 H92 Cl2 F20 N4 O2 P4 Ru2 Sb2'
_chemical_formula_weight         2234.10
_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
_audit_creation_date             06-06-09
_audit_creation_method           CRYSTALS_ver_12.51
_cell_angle_alpha                90
_cell_angle_beta                 99.750(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   15.4570(10)
_cell_length_b                   14.6930(8)
_cell_length_c                   20.1840(11)
_cell_measurement_reflns_used    6792
_cell_measurement_temperature    180
_cell_measurement_theta_max      28
_cell_measurement_theta_min      4
_cell_volume                     4517.8(5)
_computing_cell_refinement       'CrysAlis RED, (Oxford Diffraction, 2002)'
_computing_data_collection       'Xcalibur, (Oxford Diffraction, 2002)'
_computing_data_reduction        'CrysAlis RED, (Oxford Diffraction, 2002)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      180
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Diffraction XCALIBUR'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.113
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            39404
_diffrn_reflns_theta_full        29.014
_diffrn_reflns_theta_max         29.014
_diffrn_reflns_theta_min         2.950
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.139
_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_correction_T_min  0.84
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_description       plate
_exptl_crystal_F_000             2232
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.93
_refine_diff_density_min         -1.91
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.1485
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     466
_refine_ls_number_reflns         4864
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1657
_refine_ls_R_factor_gt           0.0637
_refine_ls_shift/su_max          0.000550
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Method, part 1, Chebychev polynomial, (Watkin, 1994, Prince, 1982)
[weight] = 1.0/[A₀*T₀(x)+A₁*T₁(x) ... +Aₙ₋₁]*Tₙ₋₁(x)]
where Ai are the Chebychev coefficients listed below and x= Fcalc/Fmax
Method = Robust Weighting (Prince, 1982)
W = [weight] * [1-(deltaF/6*sigmaF)²]²
Ai are:
10.9 1.77 8.89 3.38
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0828
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0675
_reflns_limit_h_max              20
_reflns_limit_h_min              -21
_reflns_limit_k_max              20
_reflns_limit_k_min              0
_reflns_limit_l_max              27
_reflns_limit_l_min              0
_reflns_number_gt                4864
_reflns_number_total             12075
_reflns_threshold_expression     I>2.0σ(I)
_cod_data_source_file            b606781f.txt
_cod_data_source_block           CRYSTALS_cif_3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 1 21/c 1 '
_cod_database_code               7052342
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
-x,y+1/2,-z+1/2
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Ru1 Ru 0.81529(4) 0.23807(5) 0.61444(3) 0.0220 1.0000 Uani . . . . . .
Sb1 Sb 0.15833(5) 0.48322(6) 0.59084(4) 0.0454 1.0000 Uani . . . . . .
P1 P 0.71341(14) 0.22087(14) 0.68720(10) 0.0225 1.0000 Uani . . . . . .
P2 P 0.50587(14) 0.26189(15) 0.64444(9) 0.0202 1.0000 Uani . . . . . .
Cl1 Cl 0.74024(16) 0.11384(16) 0.55268(11) 0.0330 1.0000 Uani . . . . . .
N1 N 0.5307(4) 0.3567(5) 0.6160(3) 0.0209 1.0000 Uani . . . . . .
N2 N 0.2712(5) 0.6789(5) 0.4428(3) 0.0215 1.0000 Uani . . . . . .
C1 C 0.7323(6) 0.1188(7) 0.7372(4) 0.0319 1.0000 Uani . . . . . .
C2 C 0.6432(7) 0.0852(7) 0.7468(5) 0.0420 1.0000 Uani . . . . . .
C3 C 0.5838(7) 0.0927(6) 0.6769(5) 0.0356 1.0000 Uani . . . . . .
C4 C 0.5993(5) 0.1874(6) 0.6475(4) 0.0241 1.0000 Uani . . . . . .
C5 C 0.7117(6) 0.3141(6) 0.7467(4) 0.0255 1.0000 Uani . . . . . .
C6 C 0.7179(6) 0.3001(8) 0.8146(4) 0.0357 1.0000 Uani . . . . . .
C7 C 0.7200(7) 0.3735(9) 0.8580(5) 0.0483 1.0000 Uani . . . . . .
C8 C 0.7188(7) 0.4618(9) 0.8340(5) 0.0468 1.0000 Uani . . . . . .
C9 C 0.7114(7) 0.4767(7) 0.7652(5) 0.0381 1.0000 Uani . . . . . .
C10 C 0.7084(6) 0.4030(6) 0.7219(4) 0.0300 1.0000 Uani . . . . . .
C11 C 0.4733(5) 0.4189(5) 0.5830(4) 0.0203 1.0000 Uani . . . . . .
C12 C 0.4263(5) 0.4079(5) 0.5171(4) 0.0176 1.0000 Uani . . . . . .
C13 C 0.3771(5) 0.4726(6) 0.4841(4) 0.0223 1.0000 Uani . . . . . .
C14 C 0.3693(5) 0.5586(6) 0.5110(4) 0.0189 1.0000 Uani . . . . . .
C15 C 0.4162(5) 0.5736(5) 0.5759(4) 0.0188 1.0000 Uani . . . . . .
C16 C 0.4656(5) 0.5072(6) 0.6102(3) 0.0188 1.0000 Uani . . . . . .
C17 C 0.3164(6) 0.6272(6) 0.4753(4) 0.0278 1.0000 Uani . . . . . .
C18 C 0.4162(5) 0.2028(6) 0.5948(4) 0.0217 1.0000 Uani . . . . . .
C19 C 0.4267(7) 0.1309(6) 0.5498(4) 0.0320 1.0000 Uani . . . . . .
C20 C 0.3538(8) 0.0959(8) 0.5093(5) 0.0441 1.0000 Uani . . . . . .
C21 C 0.2728(9) 0.1269(8) 0.5102(5) 0.0561 1.0000 Uani . . . . . .
C22 C 0.2590(8) 0.1998(9) 0.5529(5) 0.0516 1.0000 Uani . . . . . .
C23 C 0.3317(6) 0.2363(7) 0.5944(5) 0.0344 1.0000 Uani . . . . . .
C24 C 0.4749(6) 0.2717(6) 0.7267(4) 0.0243 1.0000 Uani . . . . . .
C25 C 0.4230(6) 0.2057(6) 0.7523(4) 0.0279 1.0000 Uani . . . . . .
C26 C 0.4009(7) 0.2168(7) 0.8152(5) 0.0408 1.0000 Uani . . . . . .
C27 C 0.4284(7) 0.2913(7) 0.8528(5) 0.0365 1.0000 Uani . . . . . .
C28 C 0.4792(7) 0.3577(6) 0.8298(5) 0.0356 1.0000 Uani . . . . . .
C29 C 0.5021(6) 0.3474(6) 0.7662(4) 0.0238 1.0000 Uani . . . . . .
C30 C 0.8999(8) 0.4467(8) 0.6508(6) 0.0513 1.0000 Uani . . . . . .
C31 C 0.9537(8) 0.0554(8) 0.6144(6) 0.0513 1.0000 Uani . . . . . .
C32 C 0.9261(8) -0.0061(8) 0.6634(6) 0.0513 1.0000 Uani . . . . . .
C33 C 1.0506(8) 0.0413(8) 0.6141(6) 0.0513 1.0000 Uani . . . . . .
C34 C 0.9405(8) 0.1572(8) 0.6270(6) 0.0513 1.0000 Uani . . . . . .
C35 C 0.9279(8) 0.1922(9) 0.6893(6) 0.0513 1.0000 Uani . . . . . .
C36 C 0.9125(8) 0.2847(8) 0.6973(6) 0.0513 1.0000 Uani . . . . . .
C37 C 0.9135(8) 0.3482(9) 0.6433(6) 0.0513 1.0000 Uani . . . . . .
C38 C 0.9258(8) 0.3117(9) 0.5805(6) 0.0513 1.0000 Uani . . . . . .
C39 C 0.9387(8) 0.2189(8) 0.5724(6) 0.0513 1.0000 Uani . . . . . .
F1 F 0.4361(4) 0.3280(3) 0.4852(2) 0.0303 1.0000 Uani . . . . . .
F2 F 0.3342(3) 0.4571(3) 0.4202(2) 0.0311 1.0000 Uani . . . . . .
F3 F 0.4088(3) 0.6554(3) 0.6041(2) 0.0298 1.0000 Uani . . . . . .
F4 F 0.5090(3) 0.5249(4) 0.6719(2) 0.0288 1.0000 Uani . . . . . .
F5 F 0.1042(6) 0.3704(6) 0.5854(5) 0.0846 1.0000 Uani . . . . . .
F6 F 0.2139(5) 0.5968(5) 0.5963(3) 0.0606 1.0000 Uani . . . . . .
F7 F 0.0547(5) 0.5402(7) 0.5501(5) 0.0937 1.0000 Uani . . . . . .
F8 F 0.2641(5) 0.4343(5) 0.6339(5) 0.0763 1.0000 Uani . . . . . .
F9 F 0.1234(5) 0.5027(6) 0.6741(3) 0.0742 1.0000 Uani . . . . . .
F10 F 0.1910(6) 0.4648(7) 0.5067(4) 0.0908 1.0000 Uani . . . . . .
O1 O 0.9229(9) 0.7525(8) 0.1774(7) 0.098(4) 1.0000 Uiso . . . . . .
C40 C 0.8308(18) 0.7276(17) 0.2581(13) 0.141(9) 1.0000 Uiso . . . . . .
C41 C 0.8433(18) 0.7686(19) 0.1937(14) 0.147(9) 1.0000 Uiso . . . . . .
C42 C 0.9397(16) 0.7878(17) 0.1137(13) 0.124(7) 1.0000 Uiso . . . . . .
C43 C 1.0262(18) 0.7625(18) 0.1064(14) 0.151(10) 1.0000 Uiso . . . . . .
H11 H 0.7691 0.1328 0.7817 0.0379 1.0000 Uiso R . . . . .
H12 H 0.7626 0.0720 0.7134 0.0379 1.0000 Uiso R . . . . .
H21 H 0.6195 0.1237 0.7805 0.0513 1.0000 Uiso R . . . . .
H22 H 0.6470 0.0205 0.7623 0.0513 1.0000 Uiso R . . . . .
H31 H 0.5208 0.0864 0.6819 0.0450 1.0000 Uiso R . . . . .
H32 H 0.5993 0.0439 0.6465 0.0450 1.0000 Uiso R . . . . .
H41 H 0.6032 0.1753 0.5993 0.0308 1.0000 Uiso R . . . . .
H61 H 0.7208 0.2367 0.8329 0.0434 1.0000 Uiso R . . . . .
H71 H 0.7226 0.3625 0.9072 0.0578 1.0000 Uiso R . . . . .
H81 H 0.7231 0.5144 0.8659 0.0559 1.0000 Uiso R . . . . .
H91 H 0.7082 0.5402 0.7470 0.0459 1.0000 Uiso R . . . . .
H101 H 0.7038 0.4137 0.6725 0.0348 1.0000 Uiso R . . . . .
H191 H 0.4863 0.1060 0.5476 0.0378 1.0000 Uiso R . . . . .
H201 H 0.3618 0.0452 0.4778 0.0513 1.0000 Uiso R . . . . .
H211 H 0.2216 0.0984 0.4805 0.0636 1.0000 Uiso R . . . . .
H221 H 0.1987 0.2244 0.5533 0.0599 1.0000 Uiso R . . . . .
H231 H 0.3232 0.2880 0.6248 0.0398 1.0000 Uiso R . . . . .
H251 H 0.4019 0.1510 0.7248 0.0352 1.0000 Uiso R . . . . .
H261 H 0.3646 0.1696 0.8333 0.0499 1.0000 Uiso R . . . . .
H271 H 0.4114 0.2983 0.8982 0.0447 1.0000 Uiso R . . . . .
H281 H 0.4992 0.4120 0.8582 0.0440 1.0000 Uiso R . . . . .
H291 H 0.5385 0.3952 0.7489 0.0293 1.0000 Uiso R . . . . .
H311 H 0.9207 0.0395 0.5688 0.0615 1.0000 Uiso R . . . . .
H321 H 0.8621 0.0028 0.6638 0.0615 1.0000 Uiso R . . . . .
H322 H 0.9602 0.0073 0.7090 0.0615 1.0000 Uiso R . . . . .
H323 H 0.9369 -0.0705 0.6509 0.0615 1.0000 Uiso R . . . . .
H331 H 1.0703 0.0832 0.5806 0.0615 1.0000 Uiso R . . . . .
H332 H 1.0843 0.0546 0.6598 0.0615 1.0000 Uiso R . . . . .
H333 H 1.0611 -0.0232 0.6018 0.0615 1.0000 Uiso R . . . . .
H351 H 0.9301 0.1505 0.7287 0.0615 1.0000 Uiso R . . . . .
H361 H 0.9004 0.3075 0.7415 0.0615 1.0000 Uiso R . . . . .
H301 H 0.9032 0.4781 0.6074 0.0617 1.0000 Uiso R . . . . .
H302 H 0.9465 0.4713 0.6868 0.0617 1.0000 Uiso R . . . . .
H303 H 0.8409 0.4574 0.6634 0.0617 1.0000 Uiso R . . . . .
H421 H 0.9340 0.8557 0.1132 0.1484 1.0000 Uiso R . . . . .
H422 H 0.8964 0.7615 0.0761 0.1484 1.0000 Uiso R . . . . .
H431 H 1.0388 0.7864 0.0626 0.1834 1.0000 Uiso R . . . . .
H432 H 1.0691 0.7889 0.1442 0.1834 1.0000 Uiso R . . . . .
H433 H 1.0314 0.6947 0.1071 0.1834 1.0000 Uiso R . . . . .
H411 H 0.8353 0.8359 0.1970 0.1770 1.0000 Uiso R . . . . .
H412 H 0.7975 0.7434 0.1574 0.1770 1.0000 Uiso R . . . . .
H401 H 0.7707 0.7418 0.2675 0.1697 1.0000 Uiso R . . . . .
H402 H 0.8758 0.7526 0.2951 0.1697 1.0000 Uiso R . . . . .
H403 H 0.8380 0.6601 0.2555 0.1697 1.0000 Uiso R . . . . .
H381 H 0.9253 0.3535 0.5413 0.0617 1.0000 Uiso R . . . . .
H391 H 0.9468 0.1951 0.5274 0.0617 1.0000 Uiso R . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0171 0.0103 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476
0.2776 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cl 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Ru -1.2594 0.8363 19.2674 0.8085 12.9182 8.4347 4.8634 24.7997 1.5676 94.2928
5.3787 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Sb -0.5866 1.5461 19.6418 5.3034 19.0455 0.4607 5.0371 27.9074 2.6827 75.2825
4.5909 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0061 0.0033 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N2 2_666 Ru1 . P1 . 88.5(2) yes
N2 2_666 Ru1 . Cl1 . 87.0(2) yes
P1 . Ru1 . Cl1 . 85.77(8) yes
N2 2_666 Ru1 . C34 . 148.9(4) yes
P1 . Ru1 . C34 . 122.0(3) yes
Cl1 . Ru1 . C34 . 89.3(3) yes
N2 2_666 Ru1 . C35 . 160.6(4) yes
P1 . Ru1 . C35 . 94.2(3) yes
Cl1 . Ru1 . C35 . 112.3(3) yes
C34 . Ru1 . C35 . 36.7(4) yes
N2 2_666 Ru1 . C36 . 123.8(4) yes
P1 . Ru1 . C36 . 90.1(3) yes
Cl1 . Ru1 . C36 . 148.8(3) yes
C34 . Ru1 . C36 . 66.9(5) yes
C35 . Ru1 . C36 . 37.2(4) yes
N2 2_666 Ru1 . C37 . 93.8(4) yes
P1 . Ru1 . C37 . 114.5(3) yes
Cl1 . Ru1 . C37 . 159.7(3) yes
C34 . Ru1 . C37 . 79.5(5) yes
C35 . Ru1 . C37 . 67.6(5) yes
N2 2_666 Ru1 . C38 . 89.9(4) yes
P1 . Ru1 . C38 . 151.4(3) yes
Cl1 . Ru1 . C38 . 122.6(3) yes
C34 . Ru1 . C38 . 66.5(4) yes
C35 . Ru1 . C38 . 78.6(4) yes
N2 2_666 Ru1 . C39 . 112.6(4) yes
P1 . Ru1 . C39 . 158.9(3) yes
Cl1 . Ru1 . C39 . 94.3(3) yes
C34 . Ru1 . C39 . 37.0(4) yes
C35 . Ru1 . C39 . 66.2(4) yes
C36 . Ru1 . C37 . 38.2(4) yes
C36 . Ru1 . C38 . 67.4(4) yes
C37 . Ru1 . C38 . 37.1(4) yes
C36 . Ru1 . C39 . 78.9(5) yes
C37 . Ru1 . C39 . 66.6(4) yes
C38 . Ru1 . C39 . 36.4(4) yes
F5 . Sb1 . F6 . 179.5(4) yes
F5 . Sb1 . F7 . 91.7(4) yes
F6 . Sb1 . F7 . 88.7(4) yes
F5 . Sb1 . F8 . 92.0(4) yes
F6 . Sb1 . F8 . 87.6(3) yes
F7 . Sb1 . F8 . 176.0(4) yes
F5 . Sb1 . F9 . 89.6(4) yes
F6 . Sb1 . F9 . 90.6(3) yes
F7 . Sb1 . F9 . 88.3(4) yes
F8 . Sb1 . F9 . 90.2(4) yes
F5 . Sb1 . F10 . 90.3(4) yes
F6 . Sb1 . F10 . 89.5(3) yes
F7 . Sb1 . F10 . 90.5(4) yes
F8 . Sb1 . F10 . 91.0(4) yes
F9 . Sb1 . F10 . 178.8(4) yes
Ru1 . P1 . C1 . 112.2(3) yes
Ru1 . P1 . C4 . 116.3(3) yes
C1 . P1 . C4 . 94.2(4) yes
Ru1 . P1 . C5 . 114.7(3) yes
C1 . P1 . C5 . 106.0(4) yes
C4 . P1 . C5 . 111.2(4) yes
N1 . P2 . C4 . 107.7(4) yes
N1 . P2 . C18 . 115.9(4) yes
C4 . P2 . C18 . 105.3(4) yes
N1 . P2 . C24 . 112.5(4) yes
C4 . P2 . C24 . 110.6(4) yes
C18 . P2 . C24 . 104.6(4) yes
P2 . N1 . C11 . 126.1(6) yes
Ru1 2_666 N2 . C17 . 175.5(7) yes
P1 . C1 . C2 . 106.2(7) yes
P1 . C1 . H11 . 110.2 no
C2 . C1 . H11 . 110.2 no
P1 . C1 . H12 . 110.3 no
C2 . C1 . H12 . 110.4 no
H11 . C1 . H12 . 109.5 no
C1 . C2 . C3 . 105.9(8) yes
C1 . C2 . H21 . 110.5 no
C3 . C2 . H21 . 110.5 no
C1 . C2 . H22 . 110.2 no
C3 . C2 . H22 . 110.2 no
H21 . C2 . H22 . 109.5 no
C2 . C3 . C4 . 107.9(8) yes
C2 . C3 . H31 . 109.8 no
C4 . C3 . H31 . 109.8 no
C2 . C3 . H32 . 109.9 no
C4 . C3 . H32 . 109.9 no
H31 . C3 . H32 . 109.5 no
C3 . C4 . P1 . 105.5(6) yes
C3 . C4 . P2 . 112.6(6) yes
P1 . C4 . P2 . 123.0(5) yes
C3 . C4 . H41 . 104.7 no
P1 . C4 . H41 . 104.8 no
P2 . C4 . H41 . 104.7 no
P1 . C5 . C6 . 122.5(7) yes
P1 . C5 . C10 . 118.1(6) yes
C6 . C5 . C10 . 119.3(8) yes
C5 . C6 . C7 . 120.2(10) yes
C5 . C6 . H61 . 119.9 no
C7 . C6 . H61 . 119.9 no
C6 . C7 . C8 . 120.8(9) yes
C6 . C7 . H71 . 119.5 no
C8 . C7 . H71 . 119.6 no
C7 . C8 . C9 . 119.4(10) yes
C7 . C8 . H81 . 120.3 no
C9 . C8 . H81 . 120.3 no
C8 . C9 . C10 . 119.6(10) yes
C8 . C9 . H91 . 120.2 no
C10 . C9 . H91 . 120.2 no
C5 . C10 . C9 . 120.7(9) yes
C5 . C10 . H101 . 119.7 no
C9 . C10 . H101 . 119.7 no
N1 . C11 . C12 . 124.8(7) yes
N1 . C11 . C16 . 120.8(7) yes
C12 . C11 . C16 . 113.8(7) yes
C11 . C12 . C13 . 123.5(7) yes
C11 . C12 . F1 . 117.6(7) yes
C13 . C12 . F1 . 118.8(7) yes
C12 . C13 . C14 . 122.4(7) yes
C12 . C13 . F2 . 120.1(7) yes
C14 . C13 . F2 . 117.5(7) yes
C13 . C14 . C15 . 116.3(7) yes
C13 . C14 . C17 . 121.9(7) yes
C15 . C14 . C17 . 121.8(7) yes
C14 . C15 . C16 . 121.4(7) yes
C14 . C15 . F3 . 117.9(7) yes
C16 . C15 . F3 . 120.6(7) yes
C11 . C16 . C15 . 122.5(7) yes
C11 . C16 . F4 . 118.4(7) yes
C15 . C16 . F4 . 119.1(7) yes
C14 . C17 . N2 . 175.4(9) yes
P2 . C18 . C19 . 123.9(7) yes
P2 . C18 . C23 . 117.9(7) yes
C19 . C18 . C23 . 117.8(8) yes
C18 . C19 . C20 . 119.3(10) yes
C18 . C19 . H191 . 120.4 no
C20 . C19 . H191 . 120.3 no
C19 . C20 . C21 . 122.6(11) yes
C19 . C20 . H201 . 118.7 no
C21 . C20 . H201 . 118.7 no
C20 . C21 . C22 . 120.4(10) yes
C20 . C21 . H211 . 119.8 no
C22 . C21 . H211 . 119.8 no
C21 . C22 . C23 . 117.9(11) yes
C21 . C22 . H221 . 121.0 no
C23 . C22 . H221 . 121.0 no
C18 . C23 . C22 . 122.0(10) yes
C18 . C23 . H231 . 119.1 no
C22 . C23 . H231 . 119.0 no
P2 . C24 . C25 . 122.4(7) yes
P2 . C24 . C29 . 119.2(6) yes
C25 . C24 . C29 . 118.3(7) yes
C24 . C25 . C26 . 120.1(9) yes
C24 . C25 . H251 . 120.0 no
C26 . C25 . H251 . 119.9 no
C25 . C26 . C27 . 120.5(9) yes
C25 . C26 . H261 . 119.8 no
C27 . C26 . H261 . 119.7 no
C26 . C27 . C28 . 121.5(9) yes
C26 . C27 . H271 . 119.3 no
C28 . C27 . H271 . 119.3 no
C27 . C28 . C29 . 118.7(9) yes
C27 . C28 . H281 . 120.6 no
C29 . C28 . H281 . 120.7 no
C28 . C29 . C24 . 120.9(8) yes
C28 . C29 . H291 . 119.5 no
C24 . C29 . H291 . 119.6 no
C37 . C30 . H301 . 109.5 no
C37 . C30 . H302 . 109.5 no
H301 . C30 . H302 . 109.5 no
C37 . C30 . H303 . 109.5 no
H301 . C30 . H303 . 109.5 no
H302 . C30 . H303 . 109.5 no
C32 . C31 . C33 . 108.7(10) yes
C32 . C31 . C34 . 115.4(10) yes
C33 . C31 . C34 . 107.0(10) yes
C32 . C31 . H311 . 108.5 no
C33 . C31 . H311 . 108.4 no
C34 . C31 . H311 . 108.6 no
C31 . C32 . H321 . 109.2 no
C31 . C32 . H322 . 109.6 no
H321 . C32 . H322 . 109.5 no
C31 . C32 . H323 . 109.7 no
H321 . C32 . H323 . 109.5 no
H322 . C32 . H323 . 109.5 no
C31 . C33 . H331 . 109.5 no
C31 . C33 . H332 . 109.4 no
H331 . C33 . H332 . 109.5 no
C31 . C33 . H333 . 109.5 no
H331 . C33 . H333 . 109.5 no
H332 . C33 . H333 . 109.5 no
C31 . C34 . Ru1 . 129.1(9) yes
C31 . C34 . C35 . 123.2(11) yes
Ru1 . C34 . C35 . 70.1(7) yes
C31 . C34 . C39 . 118.5(11) yes
Ru1 . C34 . C39 . 70.9(7) yes
C35 . C34 . C39 . 118.3(11) yes
Ru1 . C35 . C34 . 73.2(7) yes
Ru1 . C35 . C36 . 69.6(7) yes
C34 . C35 . C36 . 120.9(12) yes
Ru1 . C35 . H351 . 130.4 no
C34 . C35 . H351 . 119.8 no
C36 . C35 . H351 . 119.4 no
Ru1 . C36 . C35 . 73.3(7) yes
Ru1 . C36 . C37 . 73.4(7) yes
C35 . C36 . C37 . 121.4(11) yes
Ru1 . C36 . H361 . 125.9 no
C35 . C36 . H361 . 119.5 no
C37 . C36 . H361 . 119.1 no
Ru1 . C37 . C30 . 129.6(9) yes
Ru1 . C37 . C36 . 68.4(7) yes
C30 . C37 . C36 . 122.6(11) yes
Ru1 . C37 . C38 . 71.4(7) yes
C30 . C37 . C38 . 120.4(11) yes
C36 . C37 . C38 . 117.0(11) yes
Ru1 . C38 . C37 . 71.5(7) yes
Ru1 . C38 . C39 . 72.1(7) yes
C37 . C38 . C39 . 121.2(11) yes
Ru1 . C38 . H381 . 129.6 no
C37 . C38 . H381 . 119.4 no
C39 . C38 . H381 . 119.4 no
Ru1 . C39 . C34 . 72.1(7) yes
Ru1 . C39 . C38 . 71.5(7) yes
C34 . C39 . C38 . 121.1(11) yes
Ru1 . C39 . H391 . 129.5 no
C34 . C39 . H391 . 119.4 no
C38 . C39 . H391 . 119.4 no
C41 . O1 . C42 . 117.5(19) yes
C41 . C40 . H401 . 110.3 no
C41 . C40 . H402 . 109.2 no
H401 . C40 . H402 . 109.5 no
C41 . C40 . H403 . 109.0 no
H401 . C40 . H403 . 109.5 no
H402 . C40 . H403 . 109.5 no
C40 . C41 . O1 . 114(2) yes
C40 . C41 . H411 . 108.1 no
O1 . C41 . H411 . 108.5 no
C40 . C41 . H412 . 108.3 no
O1 . C41 . H412 . 108.5 no
H411 . C41 . H412 . 109.5 no
O1 . C42 . C43 . 108(2) yes
O1 . C42 . H421 . 109.6 no
C43 . C42 . H421 . 110.0 no
O1 . C42 . H422 . 109.6 no
C43 . C42 . H422 . 110.0 no
H421 . C42 . H422 . 109.5 no
C42 . C43 . H431 . 109.2 no
C42 . C43 . H432 . 109.6 no
H431 . C43 . H432 . 109.5 no
C42 . C43 . H433 . 109.6 no
H431 . C43 . H433 . 109.5 no
H432 . C43 . H433 . 109.5 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 . N2 2_666 2.022(7) yes
Ru1 . P1 . 2.342(2) yes
Ru1 . Cl1 . 2.396(2) yes
Ru1 . C34 . 2.248(12) yes
Ru1 . C35 . 2.208(12) yes
Ru1 . C36 . 2.161(12) yes
Ru1 . C37 . 2.227(12) yes
Ru1 . C38 . 2.226(12) yes
Ru1 . C39 . 2.233(12) yes
Sb1 . F5 . 1.852(8) yes
Sb1 . F6 . 1.871(7) yes
Sb1 . F7 . 1.869(9) yes
Sb1 . F8 . 1.861(8) yes
Sb1 . F9 . 1.872(6) yes
Sb1 . F10 . 1.872(7) yes
P1 . C1 . 1.804(9) yes
P1 . C4 . 1.876(9) yes
P1 . C5 . 1.825(9) yes
P2 . N1 . 1.579(7) yes
P2 . C4 . 1.805(8) yes
P2 . C18 . 1.791(8) yes
P2 . C24 . 1.811(8) yes
N1 . C11 . 1.366(11) yes
N2 . C17 . 1.157(11) yes
C1 . C2 . 1.505(14) yes
C1 . H11 . 1.000 no
C1 . H12 . 1.000 no
C2 . C3 . 1.551(15) yes
C2 . H21 . 1.000 no
C2 . H22 . 1.000 no
C3 . C4 . 1.547(12) yes
C3 . H31 . 1.000 no
C3 . H32 . 1.000 no
C4 . H41 . 1.000 no
C5 . C6 . 1.375(11) yes
C5 . C10 . 1.397(13) yes
C6 . C7 . 1.386(15) yes
C6 . H61 . 1.000 no
C7 . C8 . 1.383(17) yes
C7 . H71 . 1.000 no
C8 . C9 . 1.392(15) yes
C8 . H81 . 1.000 no
C9 . C10 . 1.387(13) yes
C9 . H91 . 1.000 no
C10 . H101 . 1.000 no
C11 . C12 . 1.412(11) yes
C11 . C16 . 1.422(11) yes
C12 . C13 . 1.324(12) yes
C12 . F1 . 1.361(9) yes
C13 . C14 . 1.389(12) yes
C13 . F2 . 1.366(9) yes
C14 . C15 . 1.403(11) yes
C14 . C17 . 1.416(12) yes
C15 . C16 . 1.355(11) yes
C15 . F3 . 1.343(9) yes
C16 . F4 . 1.335(8) yes
C18 . C19 . 1.420(12) yes
C18 . C23 . 1.394(13) yes
C19 . C20 . 1.375(13) yes
C19 . H191 . 1.000 no
C20 . C21 . 1.336(18) yes
C20 . H201 . 1.000 no
C21 . C22 . 1.414(18) yes
C21 . H211 . 1.000 no
C22 . C23 . 1.390(14) yes
C22 . H221 . 1.000 no
C23 . H231 . 1.000 no
C24 . C25 . 1.411(12) yes
C24 . C29 . 1.392(12) yes
C25 . C26 . 1.378(12) yes
C25 . H251 . 1.000 no
C26 . C27 . 1.360(15) yes
C26 . H261 . 1.000 no
C27 . C28 . 1.381(14) yes
C27 . H271 . 1.000 no
C28 . C29 . 1.395(11) yes
C28 . H281 . 1.000 no
C29 . H291 . 1.000 no
C30 . C37 . 1.474(17) yes
C30 . H301 . 1.000 no
C30 . H302 . 1.000 no
C30 . H303 . 1.000 no
C31 . C32 . 1.456(16) yes
C31 . C33 . 1.513(16) yes
C31 . C34 . 1.536(17) yes
C31 . H311 . 1.000 no
C32 . H321 . 1.000 no
C32 . H322 . 1.000 no
C32 . H323 . 1.000 no
C33 . H331 . 1.000 no
C33 . H332 . 1.000 no
C33 . H333 . 1.000 no
C34 . C35 . 1.403(16) yes
C34 . C39 . 1.423(16) yes
C35 . C36 . 1.393(17) yes
C35 . H351 . 1.000 no
C36 . C37 . 1.437(17) yes
C36 . H361 . 1.000 no
C37 . C38 . 1.418(16) yes
C38 . C39 . 1.392(17) yes
C38 . H381 . 1.000 no
C39 . H391 . 1.000 no
O1 . C41 . 1.35(3) yes
O1 . C42 . 1.45(3) yes
C40 . C41 . 1.47(3) yes
C40 . H401 . 1.000 no
C40 . H402 . 1.000 no
C40 . H403 . 1.000 no
C41 . H411 . 1.000 no
C41 . H412 . 1.000 no
C42 . C43 . 1.42(3) yes
C42 . H421 . 1.000 no
C42 . H422 . 1.000 no
C43 . H431 . 1.000 no
C43 . H432 . 1.000 no
C43 . H433 . 1.000 no
