#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/16/4071656.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_4071656
loop_
_publ_author_name
'Zhang, Jing'
'Gandelman, Mark'
'Shimon, Linda J. W.'
'Milstein, David'
_publ_section_title
;
 Stable Carbene and Diazoalkane Complexes of the Same Complex System.
 Synthesis, Structure, and Reactivity of PNP−Ru(II) Fluorenylidene
 and Diazofluorene Complexes
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3526
_journal_paper_doi               10.1021/om800294v
_journal_volume                  27
_journal_year                    2008
_chemical_formula_moiety         '4(C36 H51 N3 P2 Ru), 2(C4 O),C5'
_chemical_formula_sum            'C39.25 H51 N3 O0.5 P2 Ru'
_chemical_formula_weight         735.84
_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                 117.57(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.707(7)
_cell_length_b                   14.668(3)
_cell_length_c                   17.259(4)
_cell_measurement_reflns_used    9323
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      28.70
_cell_measurement_theta_min      0.41
_cell_volume                     7789(4)
_computing_cell_refinement       HKL
_computing_data_collection       'Collect package (Bruker Nonius)'
_computing_data_reduction        HKL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Nonius 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  0.0620
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            34599
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         2.66
_exptl_absorpt_coefficient_mu    0.515
_exptl_absorpt_correction_T_max  0.9747
_exptl_absorpt_correction_T_min  0.9503
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SHELXL-97 (Sheldrick, 1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3084
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.592
_refine_diff_density_min         -2.159
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         6908
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0537
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1173P)²+11.1938P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1592
_refine_ls_wR_factor_ref         0.1707
_reflns_number_gt                5568
_reflns_number_total             6908
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om800294v-file001.cif
_cod_data_source_block           m393a
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        7788(3)
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C39.25 H51 N3 O0.50 P2 Ru'
_cod_database_code               4071656
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.149188(10) 0.65667(2) 0.340670(19) 0.02101(15) Uani 1 1 d . . .
P2 P 0.16984(3) 0.50253(7) 0.37595(7) 0.0229(2) Uani 1 1 d . . .
P3 P 0.12298(3) 0.79342(7) 0.26599(7) 0.0248(3) Uani 1 1 d . . .
N1 N 0.10272(10) 0.5989(2) 0.2213(2) 0.0229(7) Uani 1 1 d . . .
N2 N 0.19906(12) 0.7093(2) 0.4506(2) 0.0249(8) Uani 1 1 d . . .
H2 H 0.2228(15) 0.709(3) 0.453(3) 0.022(12) Uiso 1 1 d . . .
N3 N 0.20244(11) 0.7386(2) 0.5249(2) 0.0238(7) Uani 1 1 d . . .
C1 C 0.07405(14) 0.7517(3) 0.1703(3) 0.0273(9) Uani 1 1 d . . .
H1A H 0.0486 0.7584 0.1812 0.033 Uiso 1 1 calc R . .
H1B H 0.0688 0.7893 0.1187 0.033 Uiso 1 1 calc R . .
C2 C 0.21674(14) 0.4705(3) 0.3538(3) 0.0294(9) Uani 1 1 d . . .
C3 C 0.07840(13) 0.6539(3) 0.1508(3) 0.0244(9) Uani 1 1 d . . .
C4 C 0.05626(13) 0.6190(3) 0.0670(3) 0.0273(9) Uani 1 1 d . . .
H4 H 0.0408 0.6588 0.0190 0.033 Uiso 1 1 calc R . .
C5 C 0.05665(13) 0.5254(3) 0.0528(3) 0.0314(10) Uani 1 1 d . . .
H5 H 0.0425 0.5008 -0.0046 0.038 Uiso 1 1 calc R . .
C6 C 0.07836(14) 0.4694(3) 0.1251(3) 0.0296(9) Uani 1 1 d . . .
H6 H 0.0781 0.4052 0.1177 0.036 Uiso 1 1 calc R . .
C7 C 0.10045(13) 0.5069(3) 0.2079(3) 0.0256(9) Uani 1 1 d . . .
C8 C 0.12228(14) 0.4470(3) 0.2871(3) 0.0278(9) Uani 1 1 d . . .
H8A H 0.1317 0.3897 0.2705 0.033 Uiso 1 1 calc R . .
H8B H 0.1011 0.4311 0.3085 0.033 Uiso 1 1 calc R . .
C9 C 0.25467(15) 0.5363(3) 0.4042(3) 0.0364(11) Uani 1 1 d . . .
H9A H 0.2795 0.5190 0.3950 0.055 Uiso 1 1 calc R . .
H9B H 0.2630 0.5331 0.4667 0.055 Uiso 1 1 calc R . .
H9C H 0.2457 0.5986 0.3831 0.055 Uiso 1 1 calc R . .
C10 C 0.20122(15) 0.4841(3) 0.2559(3) 0.0371(11) Uani 1 1 d . . .
H10A H 0.1877 0.5444 0.2383 0.056 Uiso 1 1 calc R . .
H10B H 0.1799 0.4370 0.2229 0.056 Uiso 1 1 calc R . .
H10C H 0.2261 0.4798 0.2437 0.056 Uiso 1 1 calc R . .
C11 C 0.23353(16) 0.3718(3) 0.3762(3) 0.0388(11) Uani 1 1 d . . .
H11A H 0.2091 0.3293 0.3486 0.058 Uiso 1 1 calc R . .
H11B H 0.2475 0.3633 0.4397 0.058 Uiso 1 1 calc R . .
H11C H 0.2546 0.3599 0.3545 0.058 Uiso 1 1 calc R . .
C12 C 0.17560(13) 0.4396(3) 0.4762(3) 0.0266(9) Uani 1 1 d . . .
C13 C 0.17044(18) 0.3352(3) 0.4654(3) 0.0370(11) Uani 1 1 d . . .
H13A H 0.1722 0.3083 0.5188 0.055 Uiso 1 1 calc R . .
H13B H 0.1937 0.3103 0.4545 0.055 Uiso 1 1 calc R . .
H13C H 0.1422 0.3208 0.4159 0.055 Uiso 1 1 calc R . .
C14 C 0.21896(15) 0.4656(3) 0.5539(3) 0.0364(11) Uani 1 1 d . . .
H14A H 0.2214 0.5322 0.5586 0.055 Uiso 1 1 calc R . .
H14B H 0.2429 0.4409 0.5453 0.055 Uiso 1 1 calc R . .
H14C H 0.2203 0.4405 0.6077 0.055 Uiso 1 1 calc R . .
C15 C 0.13957(15) 0.4735(3) 0.4971(3) 0.0344(10) Uani 1 1 d . . .
H15A H 0.1405 0.4388 0.5465 0.052 Uiso 1 1 calc R . .
H15B H 0.1112 0.4650 0.4458 0.052 Uiso 1 1 calc R . .
H15C H 0.1440 0.5384 0.5123 0.052 Uiso 1 1 calc R . .
C16 C 0.16183(14) 0.8247(3) 0.2211(3) 0.0334(10) Uani 1 1 d . . .
C17 C 0.14197(17) 0.8702(4) 0.1308(3) 0.0470(13) Uani 1 1 d . . .
H17A H 0.1641 0.8752 0.1108 0.070 Uiso 1 1 calc R . .
H17B H 0.1315 0.9312 0.1348 0.070 Uiso 1 1 calc R . .
H17C H 0.1177 0.8333 0.0892 0.070 Uiso 1 1 calc R . .
C18 C 0.18060(15) 0.7322(3) 0.2133(3) 0.0349(10) Uani 1 1 d . . .
H18A H 0.2032 0.7420 0.1951 0.052 Uiso 1 1 calc R . .
H18B H 0.1574 0.6945 0.1697 0.052 Uiso 1 1 calc R . .
H18C H 0.1932 0.7012 0.2700 0.052 Uiso 1 1 calc R . .
C19 C 0.19936(15) 0.8825(4) 0.2884(3) 0.0406(11) Uani 1 1 d . . .
H19A H 0.2094 0.8560 0.3467 0.061 Uiso 1 1 calc R . .
H19B H 0.1892 0.9449 0.2880 0.061 Uiso 1 1 calc R . .
H19C H 0.2234 0.8833 0.2734 0.061 Uiso 1 1 calc R . .
C20 C 0.10309(14) 0.8983(3) 0.2997(3) 0.0290(9) Uani 1 1 d . . .
C21 C 0.06293(15) 0.8742(3) 0.3105(3) 0.0365(11) Uani 1 1 d . . .
H21A H 0.0536 0.9278 0.3313 0.055 Uiso 1 1 calc R . .
H21B H 0.0701 0.8246 0.3530 0.055 Uiso 1 1 calc R . .
H21C H 0.0394 0.8547 0.2541 0.055 Uiso 1 1 calc R . .
C22 C 0.09024(17) 0.9744(3) 0.2311(3) 0.0396(11) Uani 1 1 d . . .
H22A H 0.0758 1.0236 0.2461 0.059 Uiso 1 1 calc R . .
H22B H 0.0704 0.9498 0.1734 0.059 Uiso 1 1 calc R . .
H22C H 0.1164 0.9982 0.2299 0.059 Uiso 1 1 calc R . .
C23 C 0.13855(16) 0.9315(3) 0.3886(3) 0.0415(12) Uani 1 1 d . . .
H23A H 0.1631 0.9557 0.3818 0.062 Uiso 1 1 calc R . .
H23B H 0.1484 0.8805 0.4299 0.062 Uiso 1 1 calc R . .
H23C H 0.1267 0.9796 0.4109 0.062 Uiso 1 1 calc R . .
C24 C 0.10772(13) 0.6633(3) 0.3909(3) 0.0239(9) Uani 1 1 d . . .
C25 C 0.06430(13) 0.6361(3) 0.3499(3) 0.0264(9) Uani 1 1 d . . .
H25 H 0.0533 0.6057 0.2952 0.032 Uiso 1 1 calc R . .
C26 C 0.03627(14) 0.6520(3) 0.3865(3) 0.0275(9) Uani 1 1 d . . .
H26 H 0.0068 0.6335 0.3555 0.033 Uiso 1 1 calc R . .
C27 C 0.05086(13) 0.6943(3) 0.4674(3) 0.0269(9) Uani 1 1 d . . .
H27 H 0.0317 0.7055 0.4916 0.032 Uiso 1 1 calc R . .
C28 C 0.09493(13) 0.7199(3) 0.5124(3) 0.0236(8) Uani 1 1 d . . .
C29 C 0.12079(13) 0.7596(3) 0.5984(3) 0.0241(9) Uani 1 1 d . . .
C30 C 0.10959(15) 0.7838(3) 0.6640(3) 0.0301(10) Uani 1 1 d . . .
H30 H 0.0806 0.7765 0.6548 0.036 Uiso 1 1 calc R . .
C31 C 0.14139(16) 0.8187(3) 0.7425(3) 0.0331(10) Uani 1 1 d . . .
H31 H 0.1344 0.8339 0.7880 0.040 Uiso 1 1 calc R . .
C32 C 0.18383(16) 0.8312(3) 0.7546(3) 0.0325(10) Uani 1 1 d . . .
H32 H 0.2052 0.8570 0.8076 0.039 Uiso 1 1 calc R . .
C33 C 0.19513(14) 0.8068(3) 0.6908(3) 0.0300(9) Uani 1 1 d . . .
H33 H 0.2242 0.8150 0.7005 0.036 Uiso 1 1 calc R . .
C34 C 0.16400(14) 0.7702(3) 0.6117(3) 0.0253(9) Uani 1 1 d . . .
C35 C 0.16606(13) 0.7374(3) 0.5344(3) 0.0239(8) Uani 1 1 d . . .
C36 C 0.12263(13) 0.7051(3) 0.4733(3) 0.0222(8) Uani 1 1 d . . .
C43 C -0.0197(3) 0.9380(6) 0.0109(6) 0.089(2) Uiso 1 1 d . . 1
O40 O 0.0190(3) 0.8904(6) -0.0045(6) 0.061(2) Uiso 0.50 1 d P A 1
C42 C 0.0287(4) 0.9597(10) -0.0506(9) 0.064(3) Uiso 0.50 1 d P . 1
C41 C 0.0080(5) 0.9706(11) -0.0227(10) 0.073(4) Uiso 0.50 1 d P . 1
C50 C -0.0052(4) 0.6112(9) 0.7054(8) 0.061(3) Uiso 0.50 1 d P . 1
C51 C -0.0071(13) 0.690(3) 0.680(2) 0.216(15) Uiso 0.50 1 d P B 1
C52 C 0.0000 0.7611 0.7500 0.051 Uiso 0.50 2 d SP . 1
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'
O O 0.0106 0.0060 '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
C24 Ru1 N2 92.87(16) . .
C24 Ru1 N1 93.68(15) . .
N2 Ru1 N1 173.38(13) . .
C24 Ru1 P3 91.31(11) . .
N2 Ru1 P3 97.74(11) . .
N1 Ru1 P3 83.10(10) . .
C24 Ru1 P2 97.38(11) . .
N2 Ru1 P2 95.56(11) . .
N1 Ru1 P2 82.62(10) . .
P3 Ru1 P2 163.71(4) . .
C8 P2 C12 102.72(19) . .
C8 P2 C2 104.2(2) . .
C12 P2 C2 109.09(19) . .
C8 P2 Ru1 99.24(14) . .
C12 P2 Ru1 126.46(14) . .
C2 P2 Ru1 111.79(14) . .
C1 P3 C20 103.4(2) . .
C1 P3 C16 104.4(2) . .
C20 P3 C16 111.1(2) . .
C1 P3 Ru1 99.89(14) . .
C20 P3 Ru1 129.58(14) . .
C16 P3 Ru1 105.37(15) . .
C7 N1 C3 117.8(3) . .
C7 N1 Ru1 121.2(3) . .
C3 N1 Ru1 120.3(3) . .
N3 N2 Ru1 133.7(3) . .
N3 N2 H2 109(3) . .
Ru1 N2 H2 117(3) . .
N2 N3 C35 116.9(3) . .
C3 C1 P3 111.9(3) . .
C3 C1 H1A 109.2 . .
P3 C1 H1A 109.2 . .
C3 C1 H1B 109.2 . .
P3 C1 H1B 109.2 . .
H1A C1 H1B 107.9 . .
C10 C2 C9 108.3(4) . .
C10 C2 C11 107.3(4) . .
C9 C2 C11 108.8(4) . .
C10 C2 P2 107.1(3) . .
C9 C2 P2 108.7(3) . .
C11 C2 P2 116.3(3) . .
N1 C3 C4 121.6(4) . .
N1 C3 C1 116.6(4) . .
C4 C3 C1 121.6(4) . .
C3 C4 C5 120.1(4) . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C6 C5 C4 118.1(4) . .
C6 C5 H5 121.0 . .
C4 C5 H5 121.0 . .
C7 C6 C5 120.2(4) . .
C7 C6 H6 119.9 . .
C5 C6 H6 119.9 . .
N1 C7 C6 121.9(4) . .
N1 C7 C8 117.3(3) . .
C6 C7 C8 120.8(4) . .
C7 C8 P2 112.3(3) . .
C7 C8 H8A 109.2 . .
P2 C8 H8A 109.2 . .
C7 C8 H8B 109.2 . .
P2 C8 H8B 109.2 . .
H8A C8 H8B 107.9 . .
C2 C9 H9A 109.5 . .
C2 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C2 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C2 C10 H10A 109.5 . .
C2 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C2 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C2 C11 H11A 109.5 . .
C2 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C2 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C14 C12 C15 106.9(4) . .
C14 C12 C13 111.5(4) . .
C15 C12 C13 106.8(4) . .
C14 C12 P2 109.0(3) . .
C15 C12 P2 107.7(3) . .
C13 C12 P2 114.7(3) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C17 C16 C19 110.7(4) . .
C17 C16 C18 107.7(4) . .
C19 C16 C18 107.9(4) . .
C17 C16 P3 116.8(3) . .
C19 C16 P3 109.8(3) . .
C18 C16 P3 103.5(3) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C16 C19 H19A 109.5 . .
C16 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C16 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C21 C20 C22 107.8(4) . .
C21 C20 C23 107.8(4) . .
C22 C20 C23 110.7(4) . .
C21 C20 P3 109.4(3) . .
C22 C20 P3 111.9(3) . .
C23 C20 P3 109.2(3) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C20 C23 H23A 109.5 . .
C20 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C20 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25 C24 C36 116.2(4) . .
C25 C24 Ru1 126.4(3) . .
C36 C24 Ru1 117.2(3) . .
C24 C25 C26 122.4(4) . .
C24 C25 H25 118.8 . .
C26 C25 H25 118.8 . .
C27 C26 C25 121.3(4) . .
C27 C26 H26 119.3 . .
C25 C26 H26 119.3 . .
C26 C27 C28 118.0(4) . .
C26 C27 H27 121.0 . .
C28 C27 H27 121.0 . .
C27 C28 C36 119.8(4) . .
C27 C28 C29 132.0(4) . .
C36 C28 C29 108.2(3) . .
C30 C29 C34 120.6(4) . .
C30 C29 C28 130.9(4) . .
C34 C29 C28 108.4(3) . .
C31 C30 C29 119.3(4) . .
C31 C30 H30 120.4 . .
C29 C30 H30 120.4 . .
C30 C31 C32 119.9(4) . .
C30 C31 H31 120.1 . .
C32 C31 H31 120.1 . .
C33 C32 C31 121.1(4) . .
C33 C32 H32 119.4 . .
C31 C32 H32 119.4 . .
C32 C33 C34 120.2(4) . .
C32 C33 H33 119.9 . .
C34 C33 H33 119.9 . .
C33 C34 C29 118.8(4) . .
C33 C34 C35 132.9(4) . .
C29 C34 C35 108.3(4) . .
N3 C35 C34 123.8(4) . .
N3 C35 C36 128.9(4) . .
C34 C35 C36 107.4(3) . .
C24 C36 C28 122.1(4) . .
C24 C36 C35 130.1(4) . .
C28 C36 C35 107.8(3) . .
C41 C43 C41 61.7(11) 5_575 .
C41 C43 O40 103.2(9) 5_575 .
C41 C43 O40 46.8(7) . .
C41 C43 C42 98.5(10) . 5_575
O40 C43 C42 137.8(8) . 5_575
C41 O40 C42 45.7(8) . .
C41 O40 C43 56.9(8) . .
C42 O40 C43 102.1(8) . .
C41 C42 O40 57.5(11) . .
C41 C42 C43 53.0(11) . 5_575
O40 C42 C43 105.4(9) . 5_575
C42 C41 O40 76.8(13) . .
C42 C41 C43 90.0(14) . 5_575
O40 C41 C43 148.2(14) . 5_575
C42 C41 C43 151.3(17) . .
O40 C41 C43 76.2(10) . .
C43 C41 C43 118.3(11) 5_575 .
C42 C41 C41 150(2) . 5_575
O40 C41 C41 125.9(18) . 5_575
C43 C41 C41 60.1(11) 5_575 5_575
C43 C41 C41 58.2(11) . 5_575
C51 C50 C50 109.5(19) . 2_556
C50 C51 C52 114(3) . .
C51 C52 C51 94(3) 2_556 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C24 1.997(4) .
Ru1 N2 2.037(4) .
Ru1 N1 2.118(3) .
Ru1 P3 2.3295(12) .
Ru1 P2 2.3647(12) .
P2 C8 1.843(4) .
P2 C12 1.888(4) .
P2 C2 1.895(4) .
P3 C1 1.841(4) .
P3 C20 1.885(4) .
P3 C16 1.897(5) .
N1 C7 1.366(6) .
N1 C3 1.376(5) .
N2 N3 1.306(5) .
N2 H2 0.81(5) .
N3 C35 1.347(5) .
C1 C3 1.496(6) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C10 1.531(6) .
C2 C9 1.536(6) .
C2 C11 1.542(7) .
C3 C4 1.385(6) .
C4 C5 1.395(7) .
C4 H4 0.9500 .
C5 C6 1.388(6) .
C5 H5 0.9500 .
C6 C7 1.385(6) .
C6 H6 0.9500 .
C7 C8 1.502(6) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
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 .
C12 C14 1.530(6) .
C12 C15 1.536(6) .
C12 C13 1.542(6) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C17 1.534(7) .
C16 C19 1.537(7) .
C16 C18 1.537(7) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 C21 1.531(6) .
C20 C22 1.535(6) .
C20 C23 1.536(6) .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 C25 1.394(6) .
C24 C36 1.408(6) .
C25 C26 1.403(6) .
C25 H25 0.9500 .
C26 C27 1.391(6) .
C26 H26 0.9500 .
C27 C28 1.408(6) .
C27 H27 0.9500 .
C28 C36 1.424(6) .
C28 C29 1.454(6) .
C29 C30 1.402(6) .
C29 C34 1.417(6) .
C30 C31 1.390(6) .
C30 H30 0.9500 .
C31 C32 1.401(7) .
C31 H31 0.9500 .
C32 C33 1.376(6) .
C32 H32 0.9500 .
C33 C34 1.398(6) .
C33 H33 0.9500 .
C34 C35 1.450(6) .
C35 C36 1.462(5) .
C43 C41 1.388(18) 5_575
C43 C41 1.416(17) .
C43 O40 1.641(12) .
O40 C41 1.232(17) .
O40 C42 1.422(16) .
C42 C41 1.045(17) .
C41 C43 1.388(18) 5_575
C41 C41 1.44(3) 5_575
C50 C51 1.22(4) .
C50 C50 1.41(2) 2_556
C51 C52 1.53(4) .
C52 C51 1.53(4) 2_556
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
C24 Ru1 P2 C8 79.05(18) . .
N2 Ru1 P2 C8 172.67(17) . .
N1 Ru1 P2 C8 -13.73(16) . .
P3 Ru1 P2 C8 -42.6(2) . .
C24 Ru1 P2 C12 -34.4(2) . .
N2 Ru1 P2 C12 59.2(2) . .
N1 Ru1 P2 C12 -127.16(19) . .
P3 Ru1 P2 C12 -156.06(19) . .
C24 Ru1 P2 C2 -171.54(19) . .
N2 Ru1 P2 C2 -77.91(18) . .
N1 Ru1 P2 C2 95.69(18) . .
P3 Ru1 P2 C2 66.8(2) . .
C24 Ru1 P3 C1 -81.31(18) . .
N2 Ru1 P3 C1 -174.38(17) . .
N1 Ru1 P3 C1 12.24(16) . .
P2 Ru1 P3 C1 41.1(2) . .
C24 Ru1 P3 C20 35.3(2) . .
N2 Ru1 P3 C20 -57.7(2) . .
N1 Ru1 P3 C20 128.9(2) . .
P2 Ru1 P3 C20 157.7(2) . .
C24 Ru1 P3 C16 170.7(2) . .
N2 Ru1 P3 C16 77.59(19) . .
N1 Ru1 P3 C16 -95.79(18) . .
P2 Ru1 P3 C16 -66.9(2) . .
C24 Ru1 N1 C7 -96.2(3) . .
P3 Ru1 N1 C7 172.9(3) . .
P2 Ru1 N1 C7 0.8(3) . .
C24 Ru1 N1 C3 93.5(3) . .
P3 Ru1 N1 C3 2.6(3) . .
P2 Ru1 N1 C3 -169.5(3) . .
C24 Ru1 N2 N3 -1.6(4) . .
P3 Ru1 N2 N3 90.1(4) . .
P2 Ru1 N2 N3 -99.3(4) . .
Ru1 N2 N3 C35 -1.6(6) . .
C20 P3 C1 C3 -161.2(3) . .
C16 P3 C1 C3 82.5(3) . .
Ru1 P3 C1 C3 -26.3(3) . .
C8 P2 C2 C10 45.0(3) . .
C12 P2 C2 C10 154.2(3) . .
Ru1 P2 C2 C10 -61.2(3) . .
C8 P2 C2 C9 161.9(3) . .
C12 P2 C2 C9 -88.9(3) . .
Ru1 P2 C2 C9 55.7(3) . .
C8 P2 C2 C11 -74.9(4) . .
C12 P2 C2 C11 34.2(4) . .
Ru1 P2 C2 C11 178.9(3) . .
C7 N1 C3 C4 -7.4(6) . .
Ru1 N1 C3 C4 163.3(3) . .
C7 N1 C3 C1 167.7(3) . .
Ru1 N1 C3 C1 -21.7(5) . .
P3 C1 C3 N1 32.6(5) . .
P3 C1 C3 C4 -152.4(3) . .
N1 C3 C4 C5 2.9(6) . .
C1 C3 C4 C5 -171.9(4) . .
C3 C4 C5 C6 2.3(6) . .
C4 C5 C6 C7 -2.8(6) . .
C3 N1 C7 C6 6.8(6) . .
Ru1 N1 C7 C6 -163.7(3) . .
C3 N1 C7 C8 -172.0(3) . .
Ru1 N1 C7 C8 17.4(5) . .
C5 C6 C7 N1 -1.8(6) . .
C5 C6 C7 C8 177.0(4) . .
N1 C7 C8 P2 -30.2(5) . .
C6 C7 C8 P2 150.9(3) . .
C12 P2 C8 C7 157.1(3) . .
C2 P2 C8 C7 -89.2(3) . .
Ru1 P2 C8 C7 26.2(3) . .
C8 P2 C12 C14 169.4(3) . .
C2 P2 C12 C14 59.3(3) . .
Ru1 P2 C12 C14 -78.7(3) . .
C8 P2 C12 C15 -74.9(3) . .
C2 P2 C12 C15 175.0(3) . .
Ru1 P2 C12 C15 36.9(4) . .
C8 P2 C12 C13 43.7(4) . .
C2 P2 C12 C13 -66.4(4) . .
Ru1 P2 C12 C13 155.5(3) . .
C1 P3 C16 C17 39.0(4) . .
C20 P3 C16 C17 -71.8(4) . .
Ru1 P3 C16 C17 143.7(4) . .
C1 P3 C16 C19 165.9(3) . .
C20 P3 C16 C19 55.2(4) . .
Ru1 P3 C16 C19 -89.3(3) . .
C1 P3 C16 C18 -79.1(3) . .
C20 P3 C16 C18 170.1(3) . .
Ru1 P3 C16 C18 25.6(3) . .
C1 P3 C20 C21 52.5(3) . .
C16 P3 C20 C21 164.0(3) . .
Ru1 P3 C20 C21 -62.6(3) . .
C1 P3 C20 C22 -66.9(4) . .
C16 P3 C20 C22 44.5(4) . .
Ru1 P3 C20 C22 177.9(2) . .
C1 P3 C20 C23 170.3(3) . .
C16 P3 C20 C23 -78.3(4) . .
Ru1 P3 C20 C23 55.1(4) . .
N2 Ru1 C24 C25 -179.4(4) . .
N1 Ru1 C24 C25 -0.4(4) . .
P3 Ru1 C24 C25 82.8(4) . .
P2 Ru1 C24 C25 -83.4(4) . .
N2 Ru1 C24 C36 5.2(3) . .
N1 Ru1 C24 C36 -175.8(3) . .
P3 Ru1 C24 C36 -92.6(3) . .
P2 Ru1 C24 C36 101.2(3) . .
C36 C24 C25 C26 2.2(6) . .
Ru1 C24 C25 C26 -173.2(3) . .
C24 C25 C26 C27 -1.5(7) . .
C25 C26 C27 C28 -0.8(6) . .
C26 C27 C28 C36 2.2(6) . .
C26 C27 C28 C29 -175.9(4) . .
C27 C28 C29 C30 0.9(8) . .
C36 C28 C29 C30 -177.5(4) . .
C27 C28 C29 C34 179.0(4) . .
C36 C28 C29 C34 0.7(5) . .
C34 C29 C30 C31 0.1(6) . .
C28 C29 C30 C31 178.1(4) . .
C29 C30 C31 C32 1.5(7) . .
C30 C31 C32 C33 -2.2(7) . .
C31 C32 C33 C34 1.1(7) . .
C32 C33 C34 C29 0.6(6) . .
C32 C33 C34 C35 -178.8(4) . .
C30 C29 C34 C33 -1.2(6) . .
C28 C29 C34 C33 -179.6(4) . .
C30 C29 C34 C35 178.4(4) . .
C28 C29 C34 C35 0.0(5) . .
N2 N3 C35 C34 -178.0(4) . .
N2 N3 C35 C36 1.7(6) . .
C33 C34 C35 N3 -1.4(7) . .
C29 C34 C35 N3 179.1(4) . .
C33 C34 C35 C36 178.8(4) . .
C29 C34 C35 C36 -0.6(4) . .
C25 C24 C36 C28 -0.7(6) . .
Ru1 C24 C36 C28 175.1(3) . .
C25 C24 C36 C35 176.9(4) . .
Ru1 C24 C36 C35 -7.2(6) . .
C27 C28 C36 C24 -1.5(6) . .
C29 C28 C36 C24 177.1(4) . .
C27 C28 C36 C35 -179.6(4) . .
C29 C28 C36 C35 -1.0(4) . .
N3 C35 C36 C24 3.4(7) . .
C34 C35 C36 C24 -176.9(4) . .
N3 C35 C36 C28 -178.7(4) . .
C34 C35 C36 C28 1.0(4) . .
C41 C43 O40 C41 -27.3(15) 5_575 .
C42 C43 O40 C41 -42.9(14) 5_575 .
C41 C43 O40 C42 -34.5(11) 5_575 .
C41 C43 O40 C42 -7.2(11) . .
C42 C43 O40 C42 -50.1(15) 5_575 .
C43 O40 C42 C41 8.5(13) . .
C41 O40 C42 C43 23.8(11) . 5_575
C43 O40 C42 C43 32.3(10) . 5_575
C43 C42 C41 O40 -150.8(13) 5_575 .
O40 C42 C41 C43 150.8(13) . 5_575
O40 C42 C41 C43 -20(3) . .
C43 C42 C41 C43 -171(4) 5_575 .
O40 C42 C41 C41 142(5) . 5_575
C43 C42 C41 C41 -8(4) 5_575 5_575
C43 O40 C41 C42 -170.1(15) . .
C42 O40 C41 C43 -68(3) . 5_575
C43 O40 C41 C43 122(3) . 5_575
C42 O40 C41 C43 170.1(15) . .
C42 O40 C41 C41 -158(3) . 5_575
C43 O40 C41 C41 32.1(18) . 5_575
C41 C43 C41 C42 170(4) 5_575 .
O40 C43 C41 C42 20(3) . .
C42 C43 C41 C42 173(3) 5_575 .
C41 C43 C41 O40 149.5(17) 5_575 .
C42 C43 C41 O40 152.5(9) 5_575 .
C41 C43 C41 C43 -0.004(3) 5_575 5_575
O40 C43 C41 C43 -149.5(17) . 5_575
C42 C43 C41 C43 2.9(13) 5_575 5_575
O40 C43 C41 C41 -149.5(17) . 5_575
C42 C43 C41 C41 2.9(13) 5_575 5_575
C50 C50 C51 C52 -3(4) 2_556 .
C50 C51 C52 C51 1.2(15) . 2_556
