#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:30:05 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178624 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/35/4073561.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_4073561
loop_
_publ_author_name
'Grushin, Vladimir V.'
'Marshall, William J.'
_publ_section_title
;
 Ar−F Reductive Elimination from Palladium(II) Revisited†
;
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4997
_journal_paper_doi               10.1021/om700469k
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C84 H80 F2 N2 O4 P2 Pd2'
_chemical_formula_weight         1494.24
_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                 124.4070(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.833(4)
_cell_length_b                   15.0277(19)
_cell_length_c                   21.017(5)
_cell_measurement_temperature    293(2)
_cell_volume                     7253(2)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.0813
_diffrn_reflns_av_sigmaI/netI    0.0591
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            53141
_diffrn_reflns_theta_full        27.91
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    0.597
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ireg.blok
_exptl_crystal_F_000             3080
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.330
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.318
_refine_diff_density_min         -0.656
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         8638
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0758
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0359P)²+12.5420P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0938
_refine_ls_wR_factor_ref         0.1090
_reflns_number_gt                6000
_reflns_number_total             8638
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700469k-file001.cif
_cod_data_source_block           07024
_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_sg_symbol_H-M      C2/c
_cod_database_code               4073561
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
Pd1 Pd 0.441533(10) 0.165957(16) 0.249130(14) 0.02749(8) Uani 1 1 d .
P1 P 0.38129(3) 0.06878(6) 0.25024(5) 0.02724(19) Uani 1 1 d .
F1 F 0.5000 0.07654(15) 0.2500 0.0317(6) Uani 1 2 d S
F2 F 0.5000 0.25378(17) 0.2500 0.0415(7) Uani 1 2 d S
O1 O 0.33656(14) 0.54514(18) 0.31209(18) 0.0645(8) Uani 1 1 d .
O2 O 0.32630(15) 0.5778(2) 0.20593(18) 0.0722(9) Uani 1 1 d .
N1 N 0.33813(14) 0.5253(2) 0.2573(2) 0.0448(8) Uani 1 1 d .
C1 C 0.39732(13) 0.2684(2) 0.24928(18) 0.0283(7) Uani 1 1 d .
C2 C 0.39872(15) 0.2969(2) 0.31293(19) 0.0332(7) Uani 1 1 d .
H2A H 0.4140 0.2592 0.3552 0.040 Uiso 1 1 calc R
C3 C 0.37829(15) 0.3790(2) 0.3157(2) 0.0357(8) Uani 1 1 d .
H3A H 0.3793 0.3965 0.3588 0.043 Uiso 1 1 calc R
C4 C 0.35642(14) 0.4348(2) 0.2534(2) 0.0323(7) Uani 1 1 d .
C5 C 0.35390(16) 0.4100(2) 0.1889(2) 0.0415(9) Uani 1 1 d .
H5A H 0.3386 0.4483 0.1470 0.050 Uiso 1 1 calc R
C6 C 0.37452(15) 0.3270(2) 0.1871(2) 0.0358(8) Uani 1 1 d .
H6A H 0.3732 0.3098 0.1436 0.043 Uiso 1 1 calc R
C7 C 0.30781(14) 0.0639(2) 0.16183(18) 0.0296(7) Uani 1 1 d .
C8 C 0.29528(15) 0.1241(2) 0.1038(2) 0.0375(8) Uani 1 1 d .
H8A H 0.3237 0.1647 0.1125 0.045 Uiso 1 1 calc R
C9 C 0.24204(16) 0.1250(3) 0.0340(2) 0.0432(9) Uani 1 1 d .
H9A H 0.2346 0.1656 -0.0040 0.052 Uiso 1 1 calc R
C10 C 0.19992(15) 0.0651(3) 0.0209(2) 0.0412(9) Uani 1 1 d .
H10A H 0.1637 0.0655 -0.0259 0.049 Uiso 1 1 calc R
C11 C 0.21147(14) 0.0048(2) 0.0771(2) 0.0376(8) Uani 1 1 d .
H11A H 0.1825 -0.0352 0.0672 0.045 Uiso 1 1 calc R
C12 C 0.26523(14) 0.0014(2) 0.14860(19) 0.0321(7) Uani 1 1 d .
C13 C 0.27363(16) -0.0695(2) 0.2043(2) 0.0414(9) Uani 1 1 d .
H13A H 0.2940 -0.0450 0.2554 0.062 Uiso 1 1 calc R
H13B H 0.2959 -0.1175 0.2032 0.062 Uiso 1 1 calc R
H13C H 0.2363 -0.0913 0.1899 0.062 Uiso 1 1 calc R
C14 C 0.37319(13) 0.0929(2) 0.32873(18) 0.0293(7) Uani 1 1 d .
C15 C 0.31822(15) 0.1163(2) 0.3106(2) 0.0360(8) Uani 1 1 d .
H15A H 0.2862 0.1143 0.2596 0.043 Uiso 1 1 calc R
C16 C 0.31081(17) 0.1425(3) 0.3679(2) 0.0463(10) Uani 1 1 d .
H16A H 0.2742 0.1587 0.3553 0.056 Uiso 1 1 calc R
C17 C 0.35816(18) 0.1442(3) 0.4435(2) 0.0509(10) Uani 1 1 d .
H17A H 0.3533 0.1594 0.4824 0.061 Uiso 1 1 calc R
C18 C 0.41272(17) 0.1233(3) 0.4616(2) 0.0440(9) Uani 1 1 d .
H18A H 0.4443 0.1257 0.5129 0.053 Uiso 1 1 calc R
C19 C 0.42206(15) 0.0988(2) 0.40561(19) 0.0337(7) Uani 1 1 d .
C20 C 0.48365(15) 0.0859(3) 0.4282(2) 0.0434(9) Uani 1 1 d .
H20A H 0.5105 0.0999 0.4818 0.065 Uiso 1 1 calc R
H20B H 0.4906 0.1245 0.3978 0.065 Uiso 1 1 calc R
H20C H 0.4890 0.0252 0.4192 0.065 Uiso 1 1 calc R
C21 C 0.40725(13) -0.0464(2) 0.26386(19) 0.0310(7) Uani 1 1 d .
C22 C 0.41684(14) -0.0966(2) 0.3262(2) 0.0374(8) Uani 1 1 d .
H22A H 0.4117 -0.0700 0.3619 0.045 Uiso 1 1 calc R
C23 C 0.43385(16) -0.1848(2) 0.3357(2) 0.0477(10) Uani 1 1 d .
H23A H 0.4407 -0.2169 0.3779 0.057 Uiso 1 1 calc R
C24 C 0.44055(17) -0.2245(3) 0.2824(3) 0.0545(11) Uani 1 1 d .
H24A H 0.4516 -0.2839 0.2882 0.065 Uiso 1 1 calc R
C25 C 0.43092(15) -0.1764(3) 0.2202(2) 0.0466(10) Uani 1 1 d .
H25A H 0.4353 -0.2044 0.1843 0.056 Uiso 1 1 calc R
C26 C 0.41475(14) -0.0867(2) 0.2100(2) 0.0356(8) Uani 1 1 d .
C27 C 0.40513(16) -0.0407(3) 0.1397(2) 0.0440(9) Uani 1 1 d .
H27A H 0.4235 0.0167 0.1541 0.066 Uiso 1 1 calc R
H27B H 0.3641 -0.0336 0.1018 0.066 Uiso 1 1 calc R
H27C H 0.4217 -0.0760 0.1186 0.066 Uiso 1 1 calc R
C28 C 0.22415(16) 0.3202(3) 0.4500(2) 0.0445(9) Uani 1 1 d .
H28A H 0.2068 0.3678 0.4161 0.053 Uiso 1 1 calc R
C29 C 0.26139(17) 0.3359(3) 0.5281(2) 0.0455(9) Uani 1 1 d .
H29A H 0.2688 0.3938 0.5469 0.055 Uiso 1 1 calc R
C30 C 0.21247(16) 0.2347(3) 0.4218(2) 0.0450(9) Uani 1 1 d .
H30A H 0.1870 0.2245 0.3691 0.054 Uiso 1 1 calc R
C31 C 0.1648(3) 0.2436(5) 0.1103(4) 0.096(2) Uani 1 1 d .
H31A H 0.1833 0.2166 0.1585 0.116 Uiso 1 1 calc R
C32 C 0.1853(3) 0.3242(5) 0.1033(4) 0.103(2) Uani 1 1 d .
H32A H 0.2167 0.3527 0.1459 0.123 Uiso 1 1 calc R
C33 C 0.1559(3) 0.3623(5) 0.0274(4) 0.0954(19) Uani 1 1 d .
H33A H 0.1674 0.4172 0.0201 0.115 Uiso 1 1 calc R
C34 C 0.1117(3) 0.3178(4) -0.0329(4) 0.0849(18) Uani 1 1 d .
H34A H 0.0938 0.3413 -0.0822 0.102 Uiso 1 1 calc R
C35 C 0.0929(3) 0.2402(4) -0.0233(4) 0.0942(19) Uani 1 1 d .
H35A H 0.0622 0.2106 -0.0659 0.113 Uiso 1 1 calc R
C36 C 0.1189(3) 0.2038(4) 0.0491(5) 0.098(2) Uani 1 1 d .
H36A H 0.1044 0.1513 0.0555 0.118 Uiso 1 1 calc R
C37 C 0.0809(3) 0.0940(6) 0.3865(5) 0.113(3) Uani 1 1 d .
H37A H 0.1066 0.1085 0.3731 0.136 Uiso 1 1 calc R
C38 C 0.0466(3) 0.0230(6) 0.3547(3) 0.106(2) Uani 1 1 d .
H38A H 0.0492 -0.0123 0.3204 0.127 Uiso 1 1 calc R
C39 C 0.0090(3) 0.0026(5) 0.3717(5) 0.117(3) Uani 1 1 d .
H39A H -0.0151 -0.0466 0.3485 0.141 Uiso 1 1 calc R
C40 C 0.0051(4) 0.0509(7) 0.4209(6) 0.126(3) Uani 1 1 d .
H40A H -0.0216 0.0357 0.4323 0.151 Uiso 1 1 calc R
C41 C 0.0410(5) 0.1245(7) 0.4557(4) 0.140(4) Uani 1 1 d .
H41A H 0.0393 0.1596 0.4909 0.168 Uiso 1 1 calc R
C42 C 0.0790(4) 0.1429(5) 0.4355(6) 0.136(4) Uani 1 1 d .
H42A H 0.1039 0.1915 0.4575 0.163 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'
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'
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
C1 Pd1 F2 89.44(11) . .
C1 Pd1 F1 168.38(10) . .
F2 Pd1 F1 78.94(7) . .
C1 Pd1 P1 92.17(10) . .
F2 Pd1 P1 178.15(5) . .
F1 Pd1 P1 99.44(5) . .
C1 Pd1 Pd1 128.66(9) . 2_655
F2 Pd1 Pd1 39.22(6) . 2_655
F1 Pd1 Pd1 39.72(5) . 2_655
P1 Pd1 Pd1 139.16(2) . 2_655
C14 P1 C7 106.76(14) . .
C14 P1 C21 106.59(15) . .
C7 P1 C21 103.64(15) . .
C14 P1 Pd1 110.92(10) . .
C7 P1 Pd1 115.52(11) . .
C21 P1 Pd1 112.75(10) . .
Pd1 F1 Pd1 100.55(10) 2_655 .
Pd1 F2 Pd1 101.56(11) . 2_655
O1 N1 O2 122.9(3) . .
O1 N1 C4 118.6(3) . .
O2 N1 C4 118.5(3) . .
C2 C1 C6 117.4(3) . .
C2 C1 Pd1 124.5(2) . .
C6 C1 Pd1 116.4(2) . .
C3 C2 C1 122.1(3) . .
C4 C3 C2 118.6(3) . .
C5 C4 C3 121.7(3) . .
C5 C4 N1 118.7(3) . .
C3 C4 N1 119.5(3) . .
C4 C5 C6 118.9(3) . .
C5 C6 C1 121.3(3) . .
C8 C7 C12 119.5(3) . .
C8 C7 P1 116.4(2) . .
C12 C7 P1 124.0(2) . .
C9 C8 C7 121.7(3) . .
C8 C9 C10 119.3(3) . .
C11 C10 C9 120.0(3) . .
C10 C11 C12 122.4(3) . .
C11 C12 C7 117.2(3) . .
C11 C12 C13 117.7(3) . .
C7 C12 C13 125.1(3) . .
C15 C14 C19 119.7(3) . .
C15 C14 P1 118.7(2) . .
C19 C14 P1 121.2(2) . .
C16 C15 C14 120.8(3) . .
C17 C16 C15 119.5(4) . .
C18 C17 C16 120.1(4) . .
C17 C18 C19 122.0(4) . .
C18 C19 C14 117.8(3) . .
C18 C19 C20 119.3(3) . .
C14 C19 C20 122.7(3) . .
C22 C21 C26 119.2(3) . .
C22 C21 P1 120.3(3) . .
C26 C21 P1 120.5(3) . .
C23 C22 C21 121.4(4) . .
C24 C23 C22 119.4(4) . .
C23 C24 C25 120.2(4) . .
C24 C25 C26 121.5(4) . .
C21 C26 C25 118.3(3) . .
C21 C26 C27 124.6(3) . .
C25 C26 C27 117.1(3) . .
C30 C28 C29 120.5(4) . .
C30 C29 C28 119.7(4) 7_556 .
C28 C30 C29 119.8(4) . 7_556
C36 C31 C32 121.1(7) . .
C31 C32 C33 117.2(7) . .
C34 C33 C32 119.5(6) . .
C35 C34 C33 121.2(6) . .
C34 C35 C36 120.4(7) . .
C31 C36 C35 120.4(7) . .
C42 C37 C38 121.1(8) . .
C39 C38 C37 120.2(7) . .
C40 C39 C38 121.0(7) . .
C39 C40 C41 119.9(8) . .
C42 C41 C40 116.5(8) . .
C37 C42 C41 121.2(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C1 1.972(3) .
Pd1 F2 2.0872(17) .
Pd1 F1 2.1025(15) .
Pd1 P1 2.2337(9) .
Pd1 Pd1 3.2341(7) 2_655
P1 C14 1.823(3) .
P1 C7 1.829(3) .
P1 C21 1.835(3) .
F1 Pd1 2.1024(15) 2_655
F2 Pd1 2.0873(17) 2_655
O1 N1 1.215(4) .
O2 N1 1.221(4) .
N1 C4 1.471(4) .
C1 C2 1.384(4) .
C1 C6 1.395(4) .
C2 C3 1.373(5) .
C3 C4 1.373(5) .
C4 C5 1.369(5) .
C5 C6 1.383(5) .
C7 C8 1.396(4) .
C7 C12 1.411(4) .
C8 C9 1.375(5) .
C9 C10 1.377(5) .
C10 C11 1.376(5) .
C11 C12 1.399(5) .
C12 C13 1.500(5) .
C14 C15 1.397(4) .
C14 C19 1.409(4) .
C15 C16 1.388(5) .
C16 C17 1.377(5) .
C17 C18 1.377(5) .
C18 C19 1.392(5) .
C19 C20 1.511(5) .
C21 C22 1.399(5) .
C21 C26 1.399(5) .
C22 C23 1.384(5) .
C23 C24 1.372(6) .
C24 C25 1.380(6) .
C25 C26 1.400(5) .
C26 C27 1.512(5) .
C28 C30 1.374(5) .
C28 C29 1.380(5) .
C29 C30 1.377(5) 7_556
C30 C29 1.377(5) 7_556
C31 C36 1.338(9) .
C31 C32 1.381(9) .
C32 C33 1.438(8) .
C33 C34 1.343(8) .
C34 C35 1.339(8) .
C35 C36 1.375(8) .
C37 C42 1.289(11) .
C37 C38 1.332(10) .
C38 C39 1.319(9) .
C39 C40 1.317(10) .
C40 C41 1.390(12) .
C41 C42 1.374(12) .
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
C1 Pd1 P1 C14 -52.65(14) . .
F2 Pd1 P1 C14 97.8(11) . .
F1 Pd1 P1 C14 126.76(11) . .
Pd1 Pd1 P1 C14 125.86(11) 2_655 .
C1 Pd1 P1 C7 68.98(15) . .
F2 Pd1 P1 C7 -140.6(11) . .
F1 Pd1 P1 C7 -111.61(11) . .
Pd1 Pd1 P1 C7 -112.50(12) 2_655 .
C1 Pd1 P1 C21 -172.10(15) . .
F2 Pd1 P1 C21 -21.6(12) . .
F1 Pd1 P1 C21 7.31(12) . .
Pd1 Pd1 P1 C21 6.42(13) 2_655 .
C1 Pd1 F1 Pd1 -2.0(5) . 2_655
F2 Pd1 F1 Pd1 0.0 . 2_655
P1 Pd1 F1 Pd1 -179.09(2) . 2_655
C1 Pd1 F2 Pd1 179.59(9) . 2_655
F1 Pd1 F2 Pd1 0.0 . 2_655
P1 Pd1 F2 Pd1 29.1(11) . 2_655
F2 Pd1 C1 C2 -104.4(3) . .
F1 Pd1 C1 C2 -102.4(5) . .
P1 Pd1 C1 C2 74.6(3) . .
Pd1 Pd1 C1 C2 -104.1(3) 2_655 .
F2 Pd1 C1 C6 60.1(2) . .
F1 Pd1 C1 C6 62.1(6) . .
P1 Pd1 C1 C6 -120.8(2) . .
Pd1 Pd1 C1 C6 60.5(3) 2_655 .
C6 C1 C2 C3 0.5(5) . .
Pd1 C1 C2 C3 164.9(3) . .
C1 C2 C3 C4 -0.7(5) . .
C2 C3 C4 C5 0.8(5) . .
C2 C3 C4 N1 -175.7(3) . .
O1 N1 C4 C5 175.0(4) . .
O2 N1 C4 C5 -6.5(5) . .
O1 N1 C4 C3 -8.4(5) . .
O2 N1 C4 C3 170.2(4) . .
C3 C4 C5 C6 -0.7(5) . .
N1 C4 C5 C6 175.9(3) . .
C4 C5 C6 C1 0.4(5) . .
C2 C1 C6 C5 -0.3(5) . .
Pd1 C1 C6 C5 -166.0(3) . .
C14 P1 C7 C8 120.6(3) . .
C21 P1 C7 C8 -127.1(3) . .
Pd1 P1 C7 C8 -3.3(3) . .
C14 P1 C7 C12 -62.2(3) . .
C21 P1 C7 C12 50.1(3) . .
Pd1 P1 C7 C12 174.0(2) . .
C12 C7 C8 C9 0.8(5) . .
P1 C7 C8 C9 178.2(3) . .
C7 C8 C9 C10 0.1(5) . .
C8 C9 C10 C11 -0.6(5) . .
C9 C10 C11 C12 0.1(5) . .
C10 C11 C12 C7 0.8(5) . .
C10 C11 C12 C13 -177.8(3) . .
C8 C7 C12 C11 -1.2(5) . .
P1 C7 C12 C11 -178.4(2) . .
C8 C7 C12 C13 177.2(3) . .
P1 C7 C12 C13 0.0(5) . .
C7 P1 C14 C15 -9.5(3) . .
C21 P1 C14 C15 -119.7(3) . .
Pd1 P1 C14 C15 117.2(2) . .
C7 P1 C14 C19 178.3(3) . .
C21 P1 C14 C19 68.0(3) . .
Pd1 P1 C14 C19 -55.0(3) . .
C19 C14 C15 C16 -2.2(5) . .
P1 C14 C15 C16 -174.5(3) . .
C14 C15 C16 C17 -0.9(6) . .
C15 C16 C17 C18 2.5(6) . .
C16 C17 C18 C19 -1.0(6) . .
C17 C18 C19 C14 -2.0(5) . .
C17 C18 C19 C20 173.8(4) . .
C15 C14 C19 C18 3.6(5) . .
P1 C14 C19 C18 175.7(3) . .
C15 C14 C19 C20 -172.1(3) . .
P1 C14 C19 C20 0.0(5) . .
C14 P1 C21 C22 -0.1(3) . .
C7 P1 C21 C22 -112.6(3) . .
Pd1 P1 C21 C22 121.8(2) . .
C14 P1 C21 C26 176.5(3) . .
C7 P1 C21 C26 64.0(3) . .
Pd1 P1 C21 C26 -61.6(3) . .
C26 C21 C22 C23 0.3(5) . .
P1 C21 C22 C23 177.0(3) . .
C21 C22 C23 C24 -1.1(6) . .
C22 C23 C24 C25 0.6(6) . .
C23 C24 C25 C26 0.6(6) . .
C22 C21 C26 C25 0.8(5) . .
P1 C21 C26 C25 -175.8(3) . .
C22 C21 C26 C27 179.2(3) . .
P1 C21 C26 C27 2.5(5) . .
C24 C25 C26 C21 -1.3(5) . .
C24 C25 C26 C27 -179.8(3) . .
C30 C28 C29 C30 0.7(6) . 7_556
C29 C28 C30 C29 -0.7(6) . 7_556
C36 C31 C32 C33 -1.2(9) . .
C31 C32 C33 C34 -1.9(9) . .
C32 C33 C34 C35 2.6(9) . .
C33 C34 C35 C36 -0.2(8) . .
C32 C31 C36 C35 3.6(9) . .
C34 C35 C36 C31 -2.9(9) . .
C42 C37 C38 C39 1.6(11) . .
C37 C38 C39 C40 -1.0(11) . .
C38 C39 C40 C41 0.0(12) . .
C39 C40 C41 C42 0.4(12) . .
C38 C37 C42 C41 -1.1(12) . .
C40 C41 C42 C37 0.2(12) . .
