#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:50:30 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179866 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/62/7016225.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_7016225
loop_
_publ_author_name
'Polukeev, Alexey V.'
'Kuklin, Sergey A.'
'Petrovskii, Pavel V.'
'Peregudova, Svetlana M.'
'Smol'yakov, Alexander F.'
'Dolgushin, Fedor M.'
'Koridze, Avthandil A.'
_publ_section_title
;
 Synthesis and characterization of fluorophenylpalladium pincer
 complexes: electronic properties of some pincer ligands evaluated by
 multinuclear NMR spectroscopy and electrochemical studies.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7201
_journal_page_last               7209
_journal_paper_doi               10.1039/c1dt10446b
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C34 H51 F P2 Pd Ru'
_chemical_formula_sum            'C34 H51 F P2 Pd Ru'
_chemical_formula_weight         748.16
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.877(1)
_cell_angle_beta                 96.133(1)
_cell_angle_gamma                107.634(1)
_cell_formula_units_Z            2
_cell_length_a                   10.5669(7)
_cell_length_b                   10.6045(7)
_cell_length_c                   15.8685(10)
_cell_measurement_reflns_used    614
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29
_cell_measurement_theta_min      3
_cell_volume                     1638.42(19)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX II'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX II CCD area detector'
_diffrn_measurement_method       '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  0.0268
_diffrn_reflns_av_sigmaI/netI    0.0287
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26191
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    1.135
_exptl_absorpt_correction_T_max  0.941
_exptl_absorpt_correction_T_min  0.801
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             768
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.660
_refine_diff_density_min         -0.504
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         8639
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0304
_refine_ls_R_factor_gt           0.0242
_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)+(0.0273P)²+0.8027P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0543
_refine_ls_wR_factor_ref         0.0570
_reflns_number_gt                7533
_reflns_number_total             8639
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c1dt10446b.txt
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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        1638.42(18)
_cod_database_code               7016225
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.204003(13) 0.415815(13) 0.269806(8) 0.01028(4) Uani 1 1 d . . .
Ru1 Ru 0.434957(14) 0.242317(14) 0.182354(9) 0.01261(4) Uani 1 1 d . . .
P1 P 0.38586(5) 0.61434(5) 0.28852(3) 0.01310(9) Uani 1 1 d . . .
P2 P 0.08514(5) 0.20285(5) 0.28950(3) 0.01435(9) Uani 1 1 d . . .
F1 F -0.26204(13) 0.60602(14) 0.11547(10) 0.0345(3) Uani 1 1 d . . .
C1 C 0.35672(17) 0.34421(18) 0.29170(11) 0.0123(3) Uani 1 1 d . . .
C2 C 0.49608(18) 0.41573(19) 0.29367(11) 0.0133(3) Uani 1 1 d . . .
C3 C 0.57266(18) 0.32681(19) 0.30487(12) 0.0147(3) Uani 1 1 d . . .
H3A H 0.6731 0.3520 0.3133 0.018 Uiso 1 1 calc R . .
C4 C 0.47845(18) 0.19736(19) 0.30697(12) 0.0148(3) Uani 1 1 d . . .
H4A H 0.5018 0.1161 0.3169 0.018 Uiso 1 1 calc R . .
C5 C 0.34504(18) 0.20846(18) 0.29742(11) 0.0132(3) Uani 1 1 d . . .
C6 C 0.3290(2) 0.2189(2) 0.05090(13) 0.0245(4) Uani 1 1 d . . .
H6A H 0.2471 0.2446 0.0363 0.029 Uiso 1 1 calc R . .
C7 C 0.4651(2) 0.3033(2) 0.05958(13) 0.0237(4) Uani 1 1 d . . .
H7A H 0.4956 0.3989 0.0522 0.028 Uiso 1 1 calc R . .
C8 C 0.5502(2) 0.2265(2) 0.07708(13) 0.0224(4) Uani 1 1 d . . .
H8A H 0.6507 0.2582 0.0835 0.027 Uiso 1 1 calc R . .
C9 C 0.4662(2) 0.0940(2) 0.07895(13) 0.0216(4) Uani 1 1 d . . .
H9A H 0.4976 0.0163 0.0869 0.026 Uiso 1 1 calc R . .
C10 C 0.3296(2) 0.0892(2) 0.06284(13) 0.0229(4) Uani 1 1 d . . .
H10A H 0.2483 0.0078 0.0577 0.027 Uiso 1 1 calc R . .
C11 C 0.04556(18) 0.48273(19) 0.22697(13) 0.0170(4) Uani 1 1 d . . .
C12 C 0.00239(19) 0.4557(2) 0.13643(13) 0.0200(4) Uani 1 1 d . . .
H12A H 0.0450 0.4070 0.0991 0.024 Uiso 1 1 calc R . .
C13 C -0.0993(2) 0.4963(2) 0.09825(14) 0.0242(4) Uani 1 1 d . . .
H13A H -0.1250 0.4760 0.0367 0.029 Uiso 1 1 calc R . .
C14 C -0.1610(2) 0.5663(2) 0.15217(15) 0.0239(4) Uani 1 1 d . . .
C15 C -0.1244(2) 0.5982(2) 0.24083(15) 0.0239(4) Uani 1 1 d . . .
H15A H -0.1673 0.6482 0.2770 0.029 Uiso 1 1 calc R . .
C16 C -0.02243(19) 0.5556(2) 0.27703(14) 0.0203(4) Uani 1 1 d . . .
H16A H 0.0021 0.5771 0.3387 0.024 Uiso 1 1 calc R . .
C17 C 0.53825(18) 0.56131(18) 0.28555(13) 0.0156(4) Uani 1 1 d . . .
H17A H 0.5713 0.5686 0.2300 0.019 Uiso 1 1 calc R . .
H17B H 0.6112 0.6198 0.3344 0.019 Uiso 1 1 calc R . .
C18 C 0.20835(18) 0.10818(19) 0.29512(13) 0.0174(4) Uani 1 1 d . . .
H18A H 0.2073 0.0718 0.3482 0.021 Uiso 1 1 calc R . .
H18B H 0.1851 0.0313 0.2435 0.021 Uiso 1 1 calc R . .
C19 C 0.3961(2) 0.7189(2) 0.20531(14) 0.0203(4) Uani 1 1 d . . .
C20 C 0.2963(2) 0.7984(2) 0.21309(18) 0.0326(5) Uani 1 1 d . . .
H20A H 0.2907 0.8386 0.1626 0.049 Uiso 1 1 calc R . .
H20B H 0.3277 0.8708 0.2666 0.049 Uiso 1 1 calc R . .
H20C H 0.2071 0.7365 0.2150 0.049 Uiso 1 1 calc R . .
C21 C 0.5377(2) 0.8176(2) 0.20767(17) 0.0293(5) Uani 1 1 d . . .
H21A H 0.5376 0.8566 0.1564 0.044 Uiso 1 1 calc R . .
H21B H 0.6027 0.7685 0.2075 0.044 Uiso 1 1 calc R . .
H21C H 0.5631 0.8909 0.2606 0.044 Uiso 1 1 calc R . .
C22 C 0.3528(2) 0.6145(3) 0.11783(14) 0.0290(5) Uani 1 1 d . . .
H22A H 0.3553 0.6617 0.0703 0.043 Uiso 1 1 calc R . .
H22B H 0.2608 0.5532 0.1142 0.043 Uiso 1 1 calc R . .
H22C H 0.4144 0.5616 0.1130 0.043 Uiso 1 1 calc R . .
C23 C 0.4202(2) 0.7208(2) 0.40301(14) 0.0219(4) Uani 1 1 d . . .
C24 C 0.2929(2) 0.7521(3) 0.42436(17) 0.0376(6) Uani 1 1 d . . .
H24A H 0.3108 0.8051 0.4846 0.056 Uiso 1 1 calc R . .
H24B H 0.2188 0.6667 0.4174 0.056 Uiso 1 1 calc R . .
H24C H 0.2680 0.8045 0.3847 0.056 Uiso 1 1 calc R . .
C25 C 0.5390(2) 0.8537(2) 0.42149(16) 0.0286(5) Uani 1 1 d . . .
H25A H 0.5606 0.8948 0.4842 0.043 Uiso 1 1 calc R . .
H25B H 0.5147 0.9167 0.3901 0.043 Uiso 1 1 calc R . .
H25C H 0.6177 0.8348 0.4019 0.043 Uiso 1 1 calc R . .
C26 C 0.4510(2) 0.6317(2) 0.46322(14) 0.0308(5) Uani 1 1 d . . .
H26A H 0.4646 0.6805 0.5242 0.046 Uiso 1 1 calc R . .
H26B H 0.5329 0.6114 0.4517 0.046 Uiso 1 1 calc R . .
H26C H 0.3751 0.5466 0.4521 0.046 Uiso 1 1 calc R . .
C27 C 0.0328(2) 0.2173(2) 0.39986(13) 0.0212(4) Uani 1 1 d . . .
C28 C -0.0369(3) 0.3258(3) 0.41225(16) 0.0332(5) Uani 1 1 d . . .
H28A H -0.0643 0.3350 0.4696 0.050 Uiso 1 1 calc R . .
H28B H -0.1167 0.2984 0.3667 0.050 Uiso 1 1 calc R . .
H28C H 0.0258 0.4133 0.4084 0.050 Uiso 1 1 calc R . .
C29 C 0.1619(2) 0.2690(3) 0.46868(14) 0.0314(5) Uani 1 1 d . . .
H29A H 0.1398 0.2947 0.5265 0.047 Uiso 1 1 calc R . .
H29B H 0.2261 0.3483 0.4558 0.047 Uiso 1 1 calc R . .
H29C H 0.2021 0.1968 0.4677 0.047 Uiso 1 1 calc R . .
C30 C -0.0595(2) 0.0844(3) 0.41500(16) 0.0320(5) Uani 1 1 d . . .
H30A H -0.0733 0.0984 0.4757 0.048 Uiso 1 1 calc R . .
H30B H -0.0178 0.0136 0.4029 0.048 Uiso 1 1 calc R . .
H30C H -0.1467 0.0561 0.3761 0.048 Uiso 1 1 calc R . .
C31 C -0.05657(19) 0.0851(2) 0.20151(14) 0.0213(4) Uani 1 1 d . . .
C32 C -0.0994(2) -0.0659(2) 0.20476(18) 0.0315(5) Uani 1 1 d . . .
H32A H -0.1660 -0.1205 0.1528 0.047 Uiso 1 1 calc R . .
H32B H -0.1392 -0.0775 0.2570 0.047 Uiso 1 1 calc R . .
H32C H -0.0203 -0.0959 0.2066 0.047 Uiso 1 1 calc R . .
C33 C -0.0017(2) 0.0984(2) 0.11690(14) 0.0272(5) Uani 1 1 d . . .
H33A H -0.0701 0.0385 0.0671 0.041 Uiso 1 1 calc R . .
H33B H 0.0797 0.0722 0.1180 0.041 Uiso 1 1 calc R . .
H33C H 0.0204 0.1928 0.1115 0.041 Uiso 1 1 calc R . .
C34 C -0.1797(2) 0.1330(2) 0.20024(16) 0.0264(5) Uani 1 1 d . . .
H34A H -0.2450 0.0827 0.1468 0.040 Uiso 1 1 calc R . .
H34B H -0.1512 0.2305 0.2020 0.040 Uiso 1 1 calc R . .
H34C H -0.2216 0.1163 0.2511 0.040 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'
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'
Pd Pd -0.9988 1.0072 '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
_geom_angle_publ_flag
C1 Pd1 C11 171.41(7) . . ?
C1 Pd1 P1 80.11(5) . . ?
C11 Pd1 P1 99.98(5) . . ?
C1 Pd1 P2 80.16(5) . . ?
C11 Pd1 P2 101.25(5) . . ?
P1 Pd1 P2 157.151(18) . . ?
C4 Ru1 C3 39.02(7) . . ?
C4 Ru1 C2 64.74(7) . . ?
C3 Ru1 C2 38.81(7) . . ?
C4 Ru1 C9 110.30(7) . . ?
C3 Ru1 C9 121.84(7) . . ?
C2 Ru1 C9 155.62(7) . . ?
C4 Ru1 C8 125.49(7) . . ?
C3 Ru1 C8 109.02(7) . . ?
C2 Ru1 C8 123.21(7) . . ?
C9 Ru1 C8 38.17(8) . . ?
C4 Ru1 C10 124.43(8) . . ?
C3 Ru1 C10 156.08(7) . . ?
C2 Ru1 C10 164.61(7) . . ?
C9 Ru1 C10 38.11(8) . . ?
C8 Ru1 C10 63.77(8) . . ?
C4 Ru1 C5 38.86(6) . . ?
C3 Ru1 C5 64.91(7) . . ?
C2 Ru1 C5 63.91(7) . . ?
C9 Ru1 C5 128.54(7) . . ?
C8 Ru1 C5 161.73(7) . . ?
C10 Ru1 C5 114.20(7) . . ?
C4 Ru1 C7 160.41(8) . . ?
C3 Ru1 C7 126.18(8) . . ?
C2 Ru1 C7 112.40(8) . . ?
C9 Ru1 C7 63.61(8) . . ?
C8 Ru1 C7 38.00(8) . . ?
C10 Ru1 C7 63.51(8) . . ?
C5 Ru1 C7 159.54(7) . . ?
C4 Ru1 C6 158.84(8) . . ?
C3 Ru1 C6 161.97(8) . . ?
C2 Ru1 C6 129.47(7) . . ?
C9 Ru1 C6 63.67(8) . . ?
C8 Ru1 C6 63.61(8) . . ?
C10 Ru1 C6 38.03(8) . . ?
C5 Ru1 C6 127.22(7) . . ?
C7 Ru1 C6 37.85(8) . . ?
C4 Ru1 C1 64.05(7) . . ?
C3 Ru1 C1 64.19(6) . . ?
C2 Ru1 C1 37.84(6) . . ?
C9 Ru1 C1 164.07(7) . . ?
C8 Ru1 C1 157.49(7) . . ?
C10 Ru1 C1 131.11(7) . . ?
C5 Ru1 C1 37.66(6) . . ?
C7 Ru1 C1 126.77(7) . . ?
C6 Ru1 C1 115.72(7) . . ?
C17 P1 C19 103.49(9) . . ?
C17 P1 C23 102.05(9) . . ?
C19 P1 C23 112.31(10) . . ?
C17 P1 Pd1 106.18(6) . . ?
C19 P1 Pd1 119.89(7) . . ?
C23 P1 Pd1 110.82(7) . . ?
C18 P2 C31 103.46(9) . . ?
C18 P2 C27 104.01(9) . . ?
C31 P2 C27 111.54(9) . . ?
C18 P2 Pd1 106.45(6) . . ?
C31 P2 Pd1 118.91(7) . . ?
C27 P2 Pd1 110.94(7) . . ?
C5 C1 C2 107.61(15) . . ?
C5 C1 Pd1 126.33(13) . . ?
C2 C1 Pd1 125.66(13) . . ?
C5 C1 Ru1 69.24(10) . . ?
C2 C1 Ru1 68.74(10) . . ?
Pd1 C1 Ru1 121.75(8) . . ?
C1 C2 C3 108.87(16) . . ?
C1 C2 C17 119.45(15) . . ?
C3 C2 C17 131.68(16) . . ?
C1 C2 Ru1 73.42(10) . . ?
C3 C2 Ru1 69.89(10) . . ?
C17 C2 Ru1 123.42(12) . . ?
C4 C3 C2 107.27(15) . . ?
C4 C3 Ru1 70.44(10) . . ?
C2 C3 Ru1 71.30(10) . . ?
C4 C3 H3A 126.3 . . ?
C2 C3 H3A 126.3 . . ?
Ru1 C3 H3A 126.3 . . ?
C3 C4 C5 107.78(15) . . ?
C3 C4 Ru1 70.53(10) . . ?
C5 C4 Ru1 71.72(10) . . ?
C3 C4 H4A 126.1 . . ?
C5 C4 H4A 126.1 . . ?
Ru1 C4 H4A 126.1 . . ?
C1 C5 C4 108.40(15) . . ?
C1 C5 C18 119.51(15) . . ?
C4 C5 C18 132.07(16) . . ?
C1 C5 Ru1 73.10(10) . . ?
C4 C5 Ru1 69.41(10) . . ?
C18 C5 Ru1 124.60(13) . . ?
C7 C6 C10 107.91(18) . . ?
C7 C6 Ru1 71.02(11) . . ?
C10 C6 Ru1 70.63(11) . . ?
C7 C6 H6A 126.0 . . ?
C10 C6 H6A 126.0 . . ?
Ru1 C6 H6A 126.0 . . ?
C6 C7 C8 108.23(19) . . ?
C6 C7 Ru1 71.13(11) . . ?
C8 C7 Ru1 70.61(11) . . ?
C6 C7 H7A 125.9 . . ?
C8 C7 H7A 125.9 . . ?
Ru1 C7 H7A 125.9 . . ?
C7 C8 C9 107.82(19) . . ?
C7 C8 Ru1 71.38(11) . . ?
C9 C8 Ru1 70.72(11) . . ?
C7 C8 H8A 126.0 . . ?
C9 C8 H8A 126.0 . . ?
Ru1 C8 H8A 126.0 . . ?
C10 C9 C8 108.08(18) . . ?
C10 C9 Ru1 71.22(11) . . ?
C8 C9 Ru1 71.10(11) . . ?
C10 C9 H9A 125.9 . . ?
C8 C9 H9A 125.9 . . ?
Ru1 C9 H9A 125.9 . . ?
C9 C10 C6 107.96(19) . . ?
C9 C10 Ru1 70.67(11) . . ?
C6 C10 Ru1 71.34(12) . . ?
C9 C10 H10A 126.0 . . ?
C6 C10 H10A 126.0 . . ?
Ru1 C10 H10A 126.0 . . ?
C16 C11 C12 114.19(17) . . ?
C16 C11 Pd1 128.53(15) . . ?
C12 C11 Pd1 117.25(14) . . ?
C13 C12 C11 123.85(19) . . ?
C13 C12 H12A 118.1 . . ?
C11 C12 H12A 118.1 . . ?
C14 C13 C12 118.0(2) . . ?
C14 C13 H13A 121.0 . . ?
C12 C13 H13A 121.0 . . ?
C15 C14 C13 122.02(19) . . ?
C15 C14 F1 119.29(19) . . ?
C13 C14 F1 118.7(2) . . ?
C14 C15 C16 118.5(2) . . ?
C14 C15 H15A 120.8 . . ?
C16 C15 H15A 120.8 . . ?
C15 C16 C11 123.41(19) . . ?
C15 C16 H16A 118.3 . . ?
C11 C16 H16A 118.3 . . ?
C2 C17 P1 106.52(12) . . ?
C2 C17 H17A 110.4 . . ?
P1 C17 H17A 110.4 . . ?
C2 C17 H17B 110.4 . . ?
P1 C17 H17B 110.4 . . ?
H17A C17 H17B 108.6 . . ?
C5 C18 P2 106.62(12) . . ?
C5 C18 H18A 110.4 . . ?
P2 C18 H18A 110.4 . . ?
C5 C18 H18B 110.4 . . ?
P2 C18 H18B 110.4 . . ?
H18A C18 H18B 108.6 . . ?
C22 C19 C21 108.46(18) . . ?
C22 C19 C20 108.91(18) . . ?
C21 C19 C20 109.37(17) . . ?
C22 C19 P1 104.41(13) . . ?
C21 C19 P1 114.71(15) . . ?
C20 C19 P1 110.74(14) . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C25 C23 C24 109.46(18) . . ?
C25 C23 C26 108.91(18) . . ?
C24 C23 C26 107.70(19) . . ?
C25 C23 P1 114.51(15) . . ?
C24 C23 P1 109.96(15) . . ?
C26 C23 P1 106.05(14) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C30 C27 C29 108.68(18) . . ?
C30 C27 C28 109.64(18) . . ?
C29 C27 C28 107.57(19) . . ?
C30 C27 P2 114.80(16) . . ?
C29 C27 P2 107.44(14) . . ?
C28 C27 P2 108.47(13) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C33 C31 C34 108.49(18) . . ?
C33 C31 C32 108.10(19) . . ?
C34 C31 C32 109.62(17) . . ?
C33 C31 P2 104.23(13) . . ?
C34 C31 P2 110.61(14) . . ?
C32 C31 P2 115.44(15) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 C1 2.0059(17) . ?
Pd1 C11 2.1041(18) . ?
Pd1 P1 2.3247(5) . ?
Pd1 P2 2.3253(5) . ?
Ru1 C4 2.1548(18) . ?
Ru1 C3 2.1560(18) . ?
Ru1 C2 2.1748(18) . ?
Ru1 C9 2.1754(19) . ?
Ru1 C8 2.1804(19) . ?
Ru1 C10 2.183(2) . ?
Ru1 C5 2.1856(17) . ?
Ru1 C7 2.190(2) . ?
Ru1 C6 2.192(2) . ?
Ru1 C1 2.2365(17) . ?
P1 C17 1.8618(18) . ?
P1 C19 1.870(2) . ?
P1 C23 1.882(2) . ?
P2 C18 1.8740(19) . ?
P2 C31 1.874(2) . ?
P2 C27 1.885(2) . ?
F1 C14 1.374(2) . ?
C1 C5 1.428(2) . ?
C1 C2 1.432(2) . ?
C2 C3 1.439(2) . ?
C2 C17 1.506(3) . ?
C3 C4 1.440(3) . ?
C3 H3A 1.0000 . ?
C4 C5 1.444(2) . ?
C4 H4A 1.0000 . ?
C5 C18 1.504(3) . ?
C6 C7 1.421(3) . ?
C6 C10 1.425(3) . ?
C6 H6A 1.0000 . ?
C7 C8 1.423(3) . ?
C7 H7A 1.0000 . ?
C8 C9 1.424(3) . ?
C8 H8A 1.0000 . ?
C9 C10 1.423(3) . ?
C9 H9A 1.0000 . ?
C10 H10A 1.0000 . ?
C11 C16 1.404(3) . ?
C11 C12 1.407(3) . ?
C12 C13 1.394(3) . ?
C12 H12A 0.9500 . ?
C13 C14 1.372(3) . ?
C13 H13A 0.9500 . ?
C14 C15 1.367(3) . ?
C15 C16 1.399(3) . ?
C15 H15A 0.9500 . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C22 1.530(3) . ?
C19 C21 1.536(3) . ?
C19 C20 1.538(3) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
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 C25 1.530(3) . ?
C23 C24 1.536(3) . ?
C23 C26 1.539(3) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C30 1.530(3) . ?
C27 C29 1.535(3) . ?
C27 C28 1.538(3) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C33 1.532(3) . ?
C31 C34 1.533(3) . ?
C31 C32 1.539(3) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
