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#$Date: 2016-03-25 15:21:26 +0100 (vie 25 de mar de 2016) $
#$Revision: 179965 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/59/7025973.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_7025973
loop_
_publ_author_name
'Breyer, David'
'Braun, Thomas'
'Penner, Anna'
_publ_section_title
;
 Isolation and reactivity of palladium hydrido complexes: intermediates in
 the hydrodefluorination of pentafluoropyridine.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7513
_journal_page_last               7520
_journal_paper_doi               10.1039/c0dt00086h
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C48 H75 F4 N P2 Pd'
_chemical_formula_sum            'C48 H75 F4 N P2 Pd'
_chemical_formula_weight         910.43
_chemical_name_systematic
;
?
;
_space_group_IT_number           31
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac -2'
_symmetry_space_group_name_H-M   'P m n 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.9664(9)
_cell_length_b                   16.9951(9)
_cell_length_c                   9.6839(6)
_cell_measurement_reflns_used    5000
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.02
_cell_measurement_theta_min      5
_cell_volume                     2298.6(2)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Stoe IPDS-2t diffractometer'
_diffrn_measurement_method       'ω-rotation,ω-incr.=1°,360 exposures'
_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  0.0676
_diffrn_reflns_av_sigmaI/netI    0.0563
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            22622
_diffrn_reflns_theta_full        29.02
_diffrn_reflns_theta_max         29.02
_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    0.522
_exptl_absorpt_correction_T_max  0.9594
_exptl_absorpt_correction_T_min  0.8342
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
The crystal faces were indexed by microscope on the diffractometer. After
that a numerical absorption correction basing on a Gaussian algorithsm
was applied, which is implemented in the X-RED program (Stoe, 2002).
;
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.315
_exptl_crystal_density_method    none
_exptl_crystal_description       needle
_exptl_crystal_F_000             964
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.502
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.087
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.23(3)
_refine_ls_extinction_coef       0.0010(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         6337
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0392
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0451P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0807
_refine_ls_wR_factor_ref         0.0827
_reflns_number_gt                5765
_reflns_number_total             6337
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            c0dt00086h.txt
_cod_data_source_block           complex5_\anna\david7
_cod_database_code               7025973
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y, z'
'x+1/2, -y, 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
C1 C 0.0000 0.6267(2) 0.6071(4) 0.0172(7) Uani 1 2 d S
C2 C 0.0000 0.6368(2) 0.4665(4) 0.0176(8) Uani 1 2 d S
C3 C 0.0000 0.5752(2) 0.3747(4) 0.0207(8) Uani 1 2 d S
C4 C 0.0000 0.4892(2) 0.5465(5) 0.0269(10) Uani 1 2 d S
C5 C 0.0000 0.5476(3) 0.6441(5) 0.0221(8) Uani 1 2 d S
C6 C 0.2304(2) 0.66089(15) 0.6590(3) 0.0158(5) Uani 1 1 d .
H6 H 0.1898 0.6485 0.5767 0.019 Uiso 1 1 calc R
C7 C 0.3292(2) 0.67968(17) 0.5986(3) 0.0202(6) Uani 1 1 d .
H7A H 0.3266 0.7296 0.5460 0.024 Uiso 1 1 calc R
H7B H 0.3765 0.6857 0.6739 0.024 Uiso 1 1 calc R
C8 C 0.3587(2) 0.61225(18) 0.5033(3) 0.0231(6) Uani 1 1 d .
H8A H 0.3121 0.6079 0.4267 0.028 Uiso 1 1 calc R
H8B H 0.4223 0.6238 0.4630 0.028 Uiso 1 1 calc R
C9 C 0.3630(2) 0.53457(17) 0.5810(3) 0.0243(6) Uani 1 1 d .
H9A H 0.4131 0.5375 0.6532 0.029 Uiso 1 1 calc R
H9B H 0.3805 0.4918 0.5162 0.029 Uiso 1 1 calc R
C10 C 0.2662(2) 0.51588(16) 0.6481(3) 0.0226(6) Uani 1 1 d .
H10A H 0.2177 0.5068 0.5753 0.027 Uiso 1 1 calc R
H10B H 0.2718 0.4672 0.7036 0.027 Uiso 1 1 calc R
C11 C 0.23373(18) 0.58368(12) 0.7411(5) 0.0195(4) Uani 1 1 d .
H11A H 0.2787 0.5892 0.8195 0.023 Uiso 1 1 calc R
H11B H 0.1694 0.5720 0.7789 0.023 Uiso 1 1 calc R
C12 C 0.1993(2) 0.83091(15) 0.6615(3) 0.0158(5) Uani 1 1 d .
H12 H 0.2709 0.8333 0.6612 0.019 Uiso 1 1 calc R
C13 C 0.1623(2) 0.90515(14) 0.7307(4) 0.0217(6) Uani 1 1 d .
H13A H 0.1858 0.9071 0.8272 0.026 Uiso 1 1 calc R
H13B H 0.0915 0.9039 0.7331 0.026 Uiso 1 1 calc R
C14 C 0.1955(3) 0.97895(17) 0.6539(3) 0.0261(7) Uani 1 1 d .
H14A H 0.1684 1.0261 0.6993 0.031 Uiso 1 1 calc R
H14B H 0.2662 0.9827 0.6585 0.031 Uiso 1 1 calc R
C15 C 0.1641(3) 0.97708(18) 0.5035(4) 0.0281(7) Uani 1 1 d .
H15A H 0.1902 1.0235 0.4546 0.034 Uiso 1 1 calc R
H15B H 0.0934 0.9795 0.4984 0.034 Uiso 1 1 calc R
C16 C 0.1996(3) 0.90179(18) 0.4333(3) 0.0241(6) Uani 1 1 d .
H16A H 0.1757 0.9001 0.3371 0.029 Uiso 1 1 calc R
H16B H 0.2704 0.9020 0.4303 0.029 Uiso 1 1 calc R
C17 C 0.1652(2) 0.82919(16) 0.5108(3) 0.0192(6) Uani 1 1 d .
H17A H 0.1902 0.7814 0.4648 0.023 Uiso 1 1 calc R
H17B H 0.0944 0.8270 0.5083 0.023 Uiso 1 1 calc R
C18 C 0.2106(2) 0.75297(16) 0.9273(3) 0.0166(5) Uani 1 1 d .
H18 H 0.1833 0.8042 0.9591 0.020 Uiso 1 1 calc R
C19 C 0.1731(2) 0.69204(17) 1.0306(3) 0.0195(6) Uani 1 1 d .
H19A H 0.1027 0.6878 1.0223 0.023 Uiso 1 1 calc R
H19B H 0.2011 0.6399 1.0096 0.023 Uiso 1 1 calc R
C20 C 0.1996(2) 0.71605(18) 1.1781(3) 0.0218(6) Uani 1 1 d .
H20A H 0.1659 0.7654 1.2025 0.026 Uiso 1 1 calc R
H20B H 0.1786 0.6746 1.2432 0.026 Uiso 1 1 calc R
C21 C 0.3074(2) 0.7283(2) 1.1923(3) 0.0263(6) Uani 1 1 d .
H21A H 0.3220 0.7470 1.2868 0.032 Uiso 1 1 calc R
H21B H 0.3406 0.6774 1.1787 0.032 Uiso 1 1 calc R
C22 C 0.3448(2) 0.7877(2) 1.0877(3) 0.0268(6) Uani 1 1 d .
H22A H 0.4153 0.7920 1.0963 0.032 Uiso 1 1 calc R
H22B H 0.3168 0.8401 1.1072 0.032 Uiso 1 1 calc R
C23 C 0.3190(2) 0.76283(18) 0.9404(3) 0.0215(6) Uani 1 1 d .
H23A H 0.3414 0.8032 0.8742 0.026 Uiso 1 1 calc R
H23B H 0.3511 0.7125 0.9179 0.026 Uiso 1 1 calc R
C24 C 0.5000 0.9906(4) 0.5830(8) 0.0519(15) Uani 1 2 d S
C25 C 0.5000 0.9722(4) 0.4536(6) 0.0397(13) Uani 1 2 d S
H25 H 0.5000 1.0130 0.3864 0.048 Uiso 1 2 calc SR
C26 C 0.5000 0.8889(6) 0.4073(8) 0.062(2) Uani 1 2 d S
H26 H 0.5000 0.8768 0.3116 0.075 Uiso 1 2 calc SR
C27 C 0.5000 0.8316(4) 0.4998(12) 0.072(3) Uani 1 2 d S
H27 H 0.5000 0.7775 0.4751 0.087 Uiso 1 2 calc SR
C28 C 0.5000 0.8588(5) 0.6445(7) 0.0499(17) Uani 1 2 d S
H28 H 0.5000 0.8185 0.7124 0.060 Uiso 1 2 calc SR
C29 C 0.5000 0.9306(4) 0.6920(10) 0.064(2) Uani 1 2 d S
H29 H 0.5000 0.9429 0.7877 0.077 Uiso 1 2 calc SR
C30 C 0.5000 1.0703(7) 0.6190(15) 0.104(4) Uani 1 2 d S
H30A H 0.5000 1.0736 0.7200 0.156 Uiso 1 2 d SR
H30B H 0.4427 1.0961 0.5840 0.156 Uiso 1 1 d .
F1 F 0.0000 0.71059(13) 0.4100(2) 0.0209(5) Uani 1 2 d S
F2 F 0.0000 0.58894(14) 0.2386(5) 0.0309(5) Uani 1 2 d S
F3 F 0.0000 0.41223(15) 0.5873(4) 0.0360(7) Uani 1 2 d S
F4 F 0.0000 0.52596(15) 0.7789(3) 0.0250(6) Uani 1 2 d S
N1 N 0.0000 0.4997(2) 0.4133(4) 0.0270(9) Uani 1 2 d S
P1 P 0.16297(4) 0.73924(3) 0.75179(12) 0.01368(12) Uani 1 1 d .
Pd1 Pd 0.0000 0.722130(13) 0.74517(3) 0.01235(7) Uani 1 2 d S
H1 H 0.0000 0.791(3) 0.839(5) 0.015 Uiso 1 2 d S
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'
N N 0.0061 0.0033 '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'
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
C2 C1 C5 112.2(4) . .
C2 C1 Pd1 122.3(3) . .
C5 C1 Pd1 125.6(3) . .
F1 C2 C1 120.8(3) . .
F1 C2 C3 116.1(4) . .
C1 C2 C3 123.1(4) . .
N1 C3 F2 116.3(4) . .
N1 C3 C2 123.5(4) . .
F2 C3 C2 120.2(4) . .
N1 C4 F3 114.7(4) . .
N1 C4 C5 125.7(4) . .
F3 C4 C5 119.6(4) . .
F4 C5 C4 117.8(4) . .
F4 C5 C1 120.7(4) . .
C4 C5 C1 121.5(5) . .
C7 C6 C11 110.4(2) . .
C7 C6 P1 119.37(19) . .
C11 C6 P1 112.1(2) . .
C7 C6 H6 104.4 . .
C11 C6 H6 104.4 . .
P1 C6 H6 104.4 . .
C8 C7 C6 108.5(2) . .
C8 C7 H7A 110.0 . .
C6 C7 H7A 110.0 . .
C8 C7 H7B 110.0 . .
C6 C7 H7B 110.0 . .
H7A C7 H7B 108.4 . .
C9 C8 C7 111.3(3) . .
C9 C8 H8A 109.4 . .
C7 C8 H8A 109.4 . .
C9 C8 H8B 109.4 . .
C7 C8 H8B 109.4 . .
H8A C8 H8B 108.0 . .
C8 C9 C10 110.8(3) . .
C8 C9 H9A 109.5 . .
C10 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
C10 C9 H9B 109.5 . .
H9A C9 H9B 108.1 . .
C11 C10 C9 110.8(2) . .
C11 C10 H10A 109.5 . .
C9 C10 H10A 109.5 . .
C11 C10 H10B 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 108.1 . .
C10 C11 C6 110.4(3) . .
C10 C11 H11A 109.6 . .
C6 C11 H11A 109.6 . .
C10 C11 H11B 109.6 . .
C6 C11 H11B 109.6 . .
H11A C11 H11B 108.1 . .
C13 C12 C17 109.3(2) . .
C13 C12 P1 113.3(2) . .
C17 C12 P1 110.30(19) . .
C13 C12 H12 107.9 . .
C17 C12 H12 107.9 . .
P1 C12 H12 107.9 . .
C12 C13 C14 111.3(3) . .
C12 C13 H13A 109.4 . .
C14 C13 H13A 109.4 . .
C12 C13 H13B 109.4 . .
C14 C13 H13B 109.4 . .
H13A C13 H13B 108.0 . .
C15 C14 C13 111.2(3) . .
C15 C14 H14A 109.4 . .
C13 C14 H14A 109.4 . .
C15 C14 H14B 109.4 . .
C13 C14 H14B 109.4 . .
H14A C14 H14B 108.0 . .
C14 C15 C16 110.4(3) . .
C14 C15 H15A 109.6 . .
C16 C15 H15A 109.6 . .
C14 C15 H15B 109.6 . .
C16 C15 H15B 109.6 . .
H15A C15 H15B 108.1 . .
C17 C16 C15 110.9(3) . .
C17 C16 H16A 109.5 . .
C15 C16 H16A 109.5 . .
C17 C16 H16B 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 108.0 . .
C16 C17 C12 110.8(2) . .
C16 C17 H17A 109.5 . .
C12 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
C12 C17 H17B 109.5 . .
H17A C17 H17B 108.1 . .
C23 C18 C19 111.0(2) . .
C23 C18 P1 116.7(2) . .
C19 C18 P1 113.2(2) . .
C23 C18 H18 104.9 . .
C19 C18 H18 104.9 . .
P1 C18 H18 104.9 . .
C20 C19 C18 110.3(2) . .
C20 C19 H19A 109.6 . .
C18 C19 H19A 109.6 . .
C20 C19 H19B 109.6 . .
C18 C19 H19B 109.6 . .
H19A C19 H19B 108.1 . .
C21 C20 C19 111.0(3) . .
C21 C20 H20A 109.4 . .
C19 C20 H20A 109.4 . .
C21 C20 H20B 109.4 . .
C19 C20 H20B 109.4 . .
H20A C20 H20B 108.0 . .
C22 C21 C20 111.6(3) . .
C22 C21 H21A 109.3 . .
C20 C21 H21A 109.3 . .
C22 C21 H21B 109.3 . .
C20 C21 H21B 109.3 . .
H21A C21 H21B 108.0 . .
C21 C22 C23 110.8(3) . .
C21 C22 H22A 109.5 . .
C23 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
C23 C22 H22B 109.5 . .
H22A C22 H22B 108.1 . .
C18 C23 C22 110.0(3) . .
C18 C23 H23A 109.7 . .
C22 C23 H23A 109.7 . .
C18 C23 H23B 109.7 . .
C22 C23 H23B 109.7 . .
H23A C23 H23B 108.2 . .
C25 C24 C30 118.4(8) . .
C25 C24 C29 122.0(7) . .
C30 C24 C29 119.6(9) . .
C24 C25 C26 121.6(6) . .
C24 C25 H25 119.2 . .
C26 C25 H25 119.2 . .
C27 C26 C25 119.8(8) . .
C27 C26 H26 120.1 . .
C25 C26 H26 120.1 . .
C26 C27 C28 114.3(7) . .
C26 C27 H27 122.8 . .
C28 C27 H27 122.8 . .
C29 C28 C27 128.9(7) . .
C29 C28 H28 115.5 . .
C27 C28 H28 115.5 . .
C28 C29 C24 113.4(8) . .
C28 C29 H29 123.3 . .
C24 C29 H29 123.3 . .
C24 C30 H30A 107.7 . .
C24 C30 H30B 110.4(10) . .
H30A C30 H30B 108.8 . .
C4 N1 C3 114.1(4) . .
C18 P1 C12 103.28(13) . .
C18 P1 C6 110.70(13) . .
C12 P1 C6 103.56(13) . .
C18 P1 Pd1 113.62(11) . .
C12 P1 Pd1 111.35(10) . .
C6 P1 Pd1 113.40(9) . .
C1 Pd1 P1 96.63(2) . 3
C1 Pd1 P1 96.63(2) . .
P1 Pd1 P1 165.09(3) 3 .
C1 Pd1 H1 178.6(19) . .
P1 Pd1 H1 83.29(12) 3 .
P1 Pd1 H1 83.29(13) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.373(6) .
C1 C5 1.390(6) .
C1 Pd1 2.102(4) .
C2 F1 1.367(4) .
C2 C3 1.374(6) .
C3 N1 1.337(6) .
C3 F2 1.339(6) .
C4 N1 1.302(6) .
C4 F3 1.366(5) .
C4 C5 1.372(6) .
C5 F4 1.356(6) .
C6 C7 1.533(4) .
C6 C11 1.535(4) .
C6 P1 1.862(3) .
C6 H6 1.0000 .
C7 C8 1.528(4) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.521(4) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.534(5) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 C11 1.531(4) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.519(4) .
C12 C17 1.535(4) .
C12 P1 1.857(3) .
C12 H12 1.0000 .
C13 C14 1.530(4) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 C15 1.521(5) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.531(5) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 C17 1.522(4) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C23 1.527(4) .
C18 C19 1.532(4) .
C18 P1 1.840(3) .
C18 H18 1.0000 .
C19 C20 1.531(4) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.526(5) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.524(5) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.532(4) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.291(10) .
C24 C30 1.398(14) .
C24 C29 1.468(10) .
C25 C26 1.486(11) .
C25 H25 0.9500 .
C26 C27 1.323(12) .
C26 H26 0.9500 .
C27 C28 1.476(12) .
C27 H27 0.9500 .
C28 C29 1.304(11) .
C28 H28 0.9500 .
C29 H29 0.9500 .
C30 H30A 0.9800 .
C30 H30B 0.973(6) .
P1 Pd1 2.2956(6) .
Pd1 P1 2.2955(6) 3
Pd1 H1 1.48(5) .
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_4
C5 C1 C2 F1 180.000(1) .
Pd1 C1 C2 F1 0.000(2) .
C5 C1 C2 C3 0.000(2) .
Pd1 C1 C2 C3 180.000(1) .
F1 C2 C3 N1 180.000(2) .
C1 C2 C3 N1 0.000(2) .
F1 C2 C3 F2 0.000(2) .
C1 C2 C3 F2 180.000(2) .
N1 C4 C5 F4 180.000(2) .
F3 C4 C5 F4 0.000(2) .
N1 C4 C5 C1 0.000(2) .
F3 C4 C5 C1 180.000(2) .
C2 C1 C5 F4 180.000(1) .
Pd1 C1 C5 F4 0.000(2) .
C2 C1 C5 C4 0.000(2) .
Pd1 C1 C5 C4 180.000(2) .
C11 C6 C7 C8 59.8(3) .
P1 C6 C7 C8 -168.1(2) .
C6 C7 C8 C9 -59.5(3) .
C7 C8 C9 C10 57.6(4) .
C8 C9 C10 C11 -55.1(4) .
C9 C10 C11 C6 55.8(3) .
C7 C6 C11 C10 -58.8(3) .
P1 C6 C11 C10 165.5(2) .
C17 C12 C13 C14 -57.5(3) .
P1 C12 C13 C14 179.1(2) .
C12 C13 C14 C15 57.0(4) .
C13 C14 C15 C16 -55.3(4) .
C14 C15 C16 C17 56.1(4) .
C15 C16 C17 C12 -57.9(4) .
C13 C12 C17 C16 58.1(3) .
P1 C12 C17 C16 -176.7(2) .
C23 C18 C19 C20 57.5(3) .
P1 C18 C19 C20 -169.0(2) .
C18 C19 C20 C21 -55.6(3) .
C19 C20 C21 C22 55.4(3) .
C20 C21 C22 C23 -56.0(4) .
C19 C18 C23 C22 -58.1(3) .
P1 C18 C23 C22 170.2(2) .
C21 C22 C23 C18 57.0(3) .
C30 C24 C25 C26 180.000(5) .
C29 C24 C25 C26 0.000(6) .
C24 C25 C26 C27 0.000(6) .
C25 C26 C27 C28 0.000(5) .
C26 C27 C28 C29 0.000(6) .
C27 C28 C29 C24 0.000(6) .
C25 C24 C29 C28 0.000(6) .
C30 C24 C29 C28 180.000(5) .
F3 C4 N1 C3 180.000(2) .
C5 C4 N1 C3 0.000(2) .
F2 C3 N1 C4 180.000(2) .
C2 C3 N1 C4 0.000(2) .
C23 C18 P1 C12 -60.6(2) .
C19 C18 P1 C12 168.7(2) .
C23 C18 P1 C6 49.7(2) .
C19 C18 P1 C6 -81.0(2) .
C23 C18 P1 Pd1 178.63(18) .
C19 C18 P1 Pd1 48.0(2) .
C13 C12 P1 C18 -57.4(2) .
C17 C12 P1 C18 179.7(2) .
C13 C12 P1 C6 -172.9(2) .
C17 C12 P1 C6 64.2(2) .
C13 C12 P1 Pd1 64.9(2) .
C17 C12 P1 Pd1 -58.0(2) .
C7 C6 P1 C18 -77.7(2) .
C11 C6 P1 C18 53.6(2) .
C7 C6 P1 C12 32.4(3) .
C11 C6 P1 C12 163.7(2) .
C7 C6 P1 Pd1 153.19(19) .
C11 C6 P1 Pd1 -75.5(2) .
C2 C1 Pd1 P1 86.59(3) 3
C5 C1 Pd1 P1 -93.41(3) 3
C2 C1 Pd1 P1 -86.59(3) .
C5 C1 Pd1 P1 93.41(3) .
C18 P1 Pd1 C1 -134.60(15) .
C12 P1 Pd1 C1 109.29(15) .
C6 P1 Pd1 C1 -7.03(15) .
C18 P1 Pd1 P1 72.7(3) 3
C12 P1 Pd1 P1 -43.4(3) 3
C6 P1 Pd1 P1 -159.8(2) 3
