#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:14:46 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179052 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/14/4301488.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_4301488
loop_
_publ_author_name
'Adel Hamada'
'Pierre Braunstein'
_publ_contact_author_address
;

Institut Le Bel, rue Blaise Pascal, 67000 STRASBOURG, FRANCE

;
_publ_contact_author_email       braunst@chimie.u-strasbg.fr
_publ_contact_author_fax         0390241322
_publ_contact_author_name
;

Pierre Braunstein

;
_publ_contact_author_phone       0390241308
_publ_section_title
;
Bis(diphenylphosphino)methane-Phosphonate Ligands and Their Pd(II), Ni(II)
and Cu(I) Complexes. Catalytic Oligomerization of Ethylene
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1624
_journal_page_last               1637
_journal_paper_doi               10.1021/ic8020436
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C74 H60 O6 P6 Pd'
_chemical_formula_sum            'C74 H60 O6 P6 Pd'
_chemical_formula_weight         1337.44
_chemical_name_systematic
; 
 ? 
;
_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
_atom_sites_solution_secondary   difmap
_audit_creation_date             10-10-08
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.0000(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.3080(2)
_cell_length_b                   21.6970(3)
_cell_length_c                   24.3410(4)
_cell_measurement_reflns_used    63479
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      0.998
_cell_volume                     6401.43(17)
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'π 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  0.0478
_diffrn_reflns_av_sigmaI/netI    0.0789
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            44676
_diffrn_reflns_theta_full        30.06
_diffrn_reflns_theta_max         30.06
_diffrn_reflns_theta_min         1.27
_exptl_absorpt_coefficient_mu    0.494
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.388
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2752
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.660
_refine_diff_density_min         -1.421
_refine_diff_density_rms         0.214
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     784
_refine_ls_number_reflns         18610
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0903
_refine_ls_R_factor_gt           0.0464
_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)+(0.0524P)²+0.5065P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0986
_refine_ls_wR_factor_ref         0.1188
_reflns_number_gt                12494
_reflns_number_total             18610
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8020436_si_002.cif
_cod_data_source_block           adel_braunstein_05_04
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4301488
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'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_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
Pd Pd 0.294695(14) 0.067665(7) 0.261138(7) 0.02049(6) Uani 1 1 d . . .
P1 P 0.24907(5) 0.12695(3) 0.33333(3) 0.02204(13) Uani 1 1 d . . .
P2 P 0.18489(5) 0.00966(3) 0.31076(3) 0.02302(13) Uani 1 1 d . . .
P3 P 0.10917(5) 0.06587(3) 0.41597(3) 0.02409(13) Uani 1 1 d . . .
P4 P 0.40118(5) 0.12566(3) 0.20922(3) 0.02236(13) Uani 1 1 d . . .
P5 P 0.33980(5) 0.00715(3) 0.18951(3) 0.02233(13) Uani 1 1 d . . .
P6 P 0.47296(5) 0.06054(3) 0.10420(3) 0.02444(14) Uani 1 1 d . . .
O1 O 0.06400(14) 0.00570(7) 0.42792(7) 0.0308(4) Uani 1 1 d . . .
O2 O 0.02066(14) 0.12017(7) 0.40108(7) 0.0326(4) Uani 1 1 d . . .
O3 O 0.18279(14) 0.09751(7) 0.46968(7) 0.0281(4) Uani 1 1 d . . .
O4 O 0.45029(15) 0.00293(7) 0.07253(7) 0.0336(4) Uani 1 1 d . . .
O5 O 0.45017(14) 0.12135(7) 0.06649(7) 0.0278(4) Uani 1 1 d . . .
O6 O 0.59903(14) 0.07358(8) 0.12962(7) 0.0339(4) Uani 1 1 d . . .
C1 C 0.1570(2) 0.19059(10) 0.30854(10) 0.0247(5) Uani 1 1 d . . .
C2 C 0.0493(2) 0.17771(12) 0.28282(12) 0.0356(6) Uani 1 1 d . . .
H2 H 0.0219 0.1368 0.2831 0.043 Uiso 1 1 calc . . .
C3 C -0.0178(2) 0.22378(14) 0.25693(13) 0.0472(7) Uani 1 1 d . . .
H3 H -0.0910 0.2144 0.2393 0.057 Uiso 1 1 calc . . .
C4 C 0.0209(3) 0.28370(13) 0.25655(13) 0.0477(8) Uani 1 1 d . . .
H4 H -0.0256 0.3154 0.2386 0.057 Uiso 1 1 calc . . .
C5 C 0.1269(3) 0.29723(12) 0.28225(13) 0.0458(8) Uani 1 1 d . . .
H5 H 0.1533 0.3384 0.2826 0.055 Uiso 1 1 calc . . .
C6 C 0.1952(2) 0.25087(11) 0.30764(11) 0.0334(6) Uani 1 1 d . . .
H6 H 0.2688 0.2603 0.3246 0.040 Uiso 1 1 calc . . .
C7 C 0.35903(19) 0.16069(10) 0.38352(10) 0.0253(5) Uani 1 1 d . . .
C8 C 0.3385(2) 0.20097(11) 0.42556(11) 0.0332(6) Uani 1 1 d . . .
H8 H 0.2647 0.2116 0.4281 0.040 Uiso 1 1 calc . . .
C9 C 0.4242(2) 0.22520(11) 0.46304(12) 0.0400(7) Uani 1 1 d . . .
H9 H 0.4095 0.2529 0.4911 0.048 Uiso 1 1 calc . . .
C10 C 0.5321(3) 0.20936(13) 0.46004(12) 0.0446(7) Uani 1 1 d . . .
H10 H 0.5912 0.2267 0.4857 0.054 Uiso 1 1 calc . . .
C11 C 0.5538(2) 0.16856(15) 0.41988(12) 0.0491(8) Uani 1 1 d . . .
H11 H 0.6276 0.1567 0.4186 0.059 Uiso 1 1 calc . . .
C12 C 0.4678(2) 0.14495(13) 0.38148(11) 0.0371(6) Uani 1 1 d . . .
H12 H 0.4833 0.1176 0.3533 0.044 Uiso 1 1 calc . . .
C13 C 0.0466(2) -0.00986(10) 0.27495(10) 0.0266(5) Uani 1 1 d . . .
C14 C -0.0265(2) -0.04174(11) 0.30287(11) 0.0329(6) Uani 1 1 d . . .
H14 H -0.0017 -0.0573 0.3394 0.039 Uiso 1 1 calc . . .
C15 C -0.1352(2) -0.05059(12) 0.27729(13) 0.0410(7) Uani 1 1 d . . .
H15 H -0.1849 -0.0715 0.2966 0.049 Uiso 1 1 calc . . .
C16 C -0.1713(2) -0.02918(13) 0.22410(13) 0.0422(7) Uani 1 1 d . . .
H16 H -0.2458 -0.0353 0.2068 0.051 Uiso 1 1 calc . . .
C17 C -0.0994(2) 0.00121(13) 0.19564(12) 0.0424(7) Uani 1 1 d . . .
H17 H -0.1242 0.0154 0.1587 0.051 Uiso 1 1 calc . . .
C18 C 0.0089(2) 0.01095(11) 0.22121(11) 0.0327(6) Uani 1 1 d . . .
H18 H 0.0580 0.0322 0.2016 0.039 Uiso 1 1 calc . . .
C19 C 0.2414(2) -0.06316(10) 0.33961(11) 0.0257(5) Uani 1 1 d . . .
C20 C 0.2313(2) -0.11597(11) 0.30660(11) 0.0356(6) Uani 1 1 d . . .
H20 H 0.1905 -0.1145 0.2697 0.043 Uiso 1 1 calc . . .
C21 C 0.2802(3) -0.17063(11) 0.32716(14) 0.0455(7) Uani 1 1 d . . .
H21 H 0.2726 -0.2064 0.3044 0.055 Uiso 1 1 calc . . .
C22 C 0.3397(2) -0.17343(12) 0.38042(14) 0.0458(7) Uani 1 1 d . . .
H22 H 0.3725 -0.2111 0.3945 0.055 Uiso 1 1 calc . . .
C23 C 0.3515(2) -0.12147(13) 0.41322(13) 0.0444(7) Uani 1 1 d . . .
H23 H 0.3936 -0.1232 0.4498 0.053 Uiso 1 1 calc . . .
C24 C 0.3021(2) -0.06642(11) 0.39316(11) 0.0340(6) Uani 1 1 d . . .
H24 H 0.3100 -0.0308 0.4162 0.041 Uiso 1 1 calc . . .
C25 C 0.18122(19) 0.06650(9) 0.36133(10) 0.0242(5) Uani 1 1 d . . .
C26 C -0.0331(2) 0.14921(11) 0.43964(11) 0.0302(5) Uani 1 1 d . . .
C27 C -0.0526(2) 0.21171(12) 0.43183(12) 0.0386(6) Uani 1 1 d . . .
H27 H -0.0270 0.2330 0.4024 0.046 Uiso 1 1 calc . . .
C28 C -0.1100(3) 0.24284(13) 0.46762(14) 0.0508(8) Uani 1 1 d . . .
H28 H -0.1255 0.2855 0.4621 0.061 Uiso 1 1 calc . . .
C29 C -0.1445(3) 0.21235(14) 0.51073(14) 0.0531(8) Uani 1 1 d . . .
H29 H -0.1828 0.2341 0.5354 0.064 Uiso 1 1 calc . . .
C30 C -0.1237(2) 0.14979(14) 0.51857(13) 0.0473(7) Uani 1 1 d . . .
H30 H -0.1471 0.1288 0.5487 0.057 Uiso 1 1 calc . . .
C31 C -0.0686(2) 0.11793(12) 0.48217(12) 0.0379(6) Uani 1 1 d . . .
H31 H -0.0557 0.0749 0.4867 0.046 Uiso 1 1 calc . . .
C32 C 0.2408(2) 0.06170(10) 0.51293(10) 0.0284(5) Uani 1 1 d . . .
C33 C 0.3524(2) 0.05420(13) 0.51644(13) 0.0442(7) Uani 1 1 d . . .
H33 H 0.3900 0.0724 0.4896 0.053 Uiso 1 1 calc . . .
C34 C 0.4093(3) 0.01948(16) 0.55999(16) 0.0605(9) Uani 1 1 d . . .
H34 H 0.4865 0.0134 0.5630 0.073 Uiso 1 1 calc . . .
C35 C 0.3534(3) -0.00641(14) 0.59915(13) 0.0551(9) Uani 1 1 d . . .
H35 H 0.3927 -0.0301 0.6290 0.066 Uiso 1 1 calc . . .
C36 C 0.2429(3) 0.00185(13) 0.59509(12) 0.0474(8) Uani 1 1 d . . .
H36 H 0.2054 -0.0159 0.6222 0.057 Uiso 1 1 calc . . .
C37 C 0.1848(2) 0.03586(12) 0.55178(11) 0.0368(6) Uani 1 1 d . . .
H37 H 0.1074 0.0414 0.5487 0.044 Uiso 1 1 calc . . .
C38 C 0.5376(2) 0.14830(11) 0.24482(10) 0.0283(5) Uani 1 1 d . . .
C39 C 0.5590(2) 0.20732(12) 0.26689(12) 0.0412(7) Uani 1 1 d . . .
H39 H 0.5035 0.2382 0.2604 0.049 Uiso 1 1 calc . . .
C40 C 0.6616(3) 0.22082(15) 0.29843(13) 0.0557(9) Uani 1 1 d . . .
H40 H 0.6759 0.2610 0.3134 0.067 Uiso 1 1 calc . . .
C41 C 0.7427(3) 0.17636(17) 0.30816(13) 0.0545(9) Uani 1 1 d . . .
H41 H 0.8127 0.1860 0.3296 0.065 Uiso 1 1 calc . . .
C42 C 0.7220(2) 0.11800(14) 0.28681(12) 0.0469(7) Uani 1 1 d . . .
H42 H 0.7778 0.0873 0.2938 0.056 Uiso 1 1 calc . . .
C43 C 0.6209(2) 0.10388(12) 0.25537(10) 0.0341(6) Uani 1 1 d . . .
H43 H 0.6076 0.0635 0.2407 0.041 Uiso 1 1 calc . . .
C44 C 0.3403(2) 0.19524(10) 0.17436(10) 0.0253(5) Uani 1 1 d . . .
C45 C 0.4001(2) 0.23500(11) 0.14641(11) 0.0325(6) Uani 1 1 d . . .
H45 H 0.4773 0.2290 0.1490 0.039 Uiso 1 1 calc . . .
C46 C 0.3491(3) 0.28315(11) 0.11486(12) 0.0427(7) Uani 1 1 d . . .
H46 H 0.3908 0.3097 0.0955 0.051 Uiso 1 1 calc . . .
C47 C 0.2371(3) 0.29244(12) 0.11168(12) 0.0494(8) Uani 1 1 d . . .
H47 H 0.2018 0.3258 0.0903 0.059 Uiso 1 1 calc . . .
C48 C 0.1763(3) 0.25364(13) 0.13931(13) 0.0465(7) Uani 1 1 d . . .
H48 H 0.0993 0.2602 0.1369 0.056 Uiso 1 1 calc . . .
C49 C 0.2275(2) 0.20486(11) 0.17072(11) 0.0347(6) Uani 1 1 d . . .
H49 H 0.1854 0.1781 0.1897 0.042 Uiso 1 1 calc . . .
C50 C 0.4316(2) -0.05751(10) 0.21041(11) 0.0269(5) Uani 1 1 d . . .
C51 C 0.4822(2) -0.06108(10) 0.26580(11) 0.0331(6) Uani 1 1 d . . .
H51 H 0.4617 -0.0330 0.2921 0.040 Uiso 1 1 calc . . .
C52 C 0.5622(2) -0.10518(12) 0.28324(12) 0.0397(7) Uani 1 1 d . . .
H52 H 0.5968 -0.1072 0.3213 0.048 Uiso 1 1 calc . . .
C53 C 0.5913(2) -0.14608(12) 0.24499(13) 0.0424(7) Uani 1 1 d . . .
H53 H 0.6465 -0.1762 0.2566 0.051 Uiso 1 1 calc . . .
C54 C 0.5406(2) -0.14349(12) 0.18982(13) 0.0433(7) Uani 1 1 d . . .
H54 H 0.5604 -0.1722 0.1638 0.052 Uiso 1 1 calc . . .
C55 C 0.4608(2) -0.09926(11) 0.17198(11) 0.0343(6) Uani 1 1 d . . .
H55 H 0.4264 -0.0975 0.1339 0.041 Uiso 1 1 calc . . .
C56 C 0.2233(2) -0.02222(10) 0.14085(10) 0.0266(5) Uani 1 1 d . . .
C57 C 0.1640(2) 0.01920(11) 0.10359(11) 0.0333(6) Uani 1 1 d . . .
H57 H 0.1918 0.0596 0.1002 0.040 Uiso 1 1 calc . . .
C58 C 0.0654(2) 0.00198(13) 0.07159(12) 0.0417(7) Uani 1 1 d . . .
H58 H 0.0252 0.0308 0.0466 0.050 Uiso 1 1 calc . . .
C59 C 0.0245(2) -0.05654(15) 0.07548(13) 0.0469(8) Uani 1 1 d . . .
H59 H -0.0439 -0.0681 0.0534 0.056 Uiso 1 1 calc . . .
C60 C 0.0831(2) -0.09825(13) 0.11146(13) 0.0433(7) Uani 1 1 d . . .
H60 H 0.0554 -0.1389 0.1137 0.052 Uiso 1 1 calc . . .
C61 C 0.1823(2) -0.08173(11) 0.14449(11) 0.0335(6) Uani 1 1 d . . .
H61 H 0.2221 -0.1108 0.1694 0.040 Uiso 1 1 calc . . .
C62 C 0.40735(19) 0.06647(9) 0.16066(10) 0.0237(5) Uani 1 1 d . . .
C63 C 0.6812(2) 0.09101(12) 0.09988(11) 0.0325(6) Uani 1 1 d . . .
C64 C 0.7588(2) 0.13196(13) 0.12687(13) 0.0453(7) Uani 1 1 d . . .
H64 H 0.7516 0.1489 0.1621 0.054 Uiso 1 1 calc . . .
C65 C 0.8472(3) 0.14769(15) 0.10124(16) 0.0574(9) Uani 1 1 d . . .
H65 H 0.9022 0.1751 0.1195 0.069 Uiso 1 1 calc . . .
C66 C 0.8561(3) 0.12422(15) 0.05008(16) 0.0579(9) Uani 1 1 d . . .
H66 H 0.9167 0.1355 0.0327 0.069 Uiso 1 1 calc . . .
C67 C 0.7773(3) 0.08433(15) 0.02384(14) 0.0542(9) Uani 1 1 d . . .
H67 H 0.7831 0.0686 -0.0119 0.065 Uiso 1 1 calc . . .
C68 C 0.6896(2) 0.06686(12) 0.04889(13) 0.0410(7) Uani 1 1 d . . .
H68 H 0.6360 0.0386 0.0310 0.049 Uiso 1 1 calc . . .
C69 C 0.3669(2) 0.12451(10) 0.01953(10) 0.0270(5) Uani 1 1 d . . .
C70 C 0.3852(2) 0.10041(12) -0.03040(11) 0.0378(6) Uani 1 1 d . . .
H70 H 0.4511 0.0785 -0.0326 0.045 Uiso 1 1 calc . . .
C71 C 0.3059(3) 0.10881(15) -0.07704(12) 0.0503(8) Uani 1 1 d . . .
H71 H 0.3165 0.0917 -0.1117 0.060 Uiso 1 1 calc . . .
C72 C 0.2115(3) 0.14166(15) -0.07424(13) 0.0532(9) Uani 1 1 d . . .
H72 H 0.1585 0.1483 -0.1070 0.064 Uiso 1 1 calc . . .
C73 C 0.1938(2) 0.16489(13) -0.02388(13) 0.0454(7) Uani 1 1 d . . .
H73 H 0.1279 0.1869 -0.0218 0.055 Uiso 1 1 calc . . .
C74 C 0.2720(2) 0.15623(11) 0.02378(11) 0.0334(6) Uani 1 1 d . . .
H74 H 0.2602 0.1719 0.0587 0.040 Uiso 1 1 calc . . .
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'
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
_geom_angle_publ_flag
P1 Pd P5 179.23(2) . . ?
P1 Pd P2 70.68(2) . . ?
P5 Pd P2 108.60(2) . . ?
P1 Pd P4 110.02(2) . . ?
P5 Pd P4 70.71(2) . . ?
P2 Pd P4 178.46(2) . . ?
C25 P1 C7 112.95(11) . . ?
C25 P1 C1 112.62(11) . . ?
C7 P1 C1 105.42(10) . . ?
C25 P1 Pd 94.23(8) . . ?
C7 P1 Pd 118.88(8) . . ?
C1 P1 Pd 112.78(8) . . ?
C25 P1 P2 39.68(8) . . ?
C7 P1 P2 132.64(7) . . ?
C1 P1 P2 120.34(8) . . ?
Pd P1 P2 54.794(18) . . ?
C25 P2 C19 113.33(11) . . ?
C25 P2 C13 111.39(11) . . ?
C19 P2 C13 104.22(11) . . ?
C25 P2 Pd 94.13(8) . . ?
C19 P2 Pd 116.88(8) . . ?
C13 P2 Pd 117.05(8) . . ?
C25 P2 P1 39.86(7) . . ?
C19 P2 P1 131.59(8) . . ?
C13 P2 P1 122.26(8) . . ?
Pd P2 P1 54.526(18) . . ?
O1 P3 O2 115.64(10) . . ?
O1 P3 O3 113.42(9) . . ?
O2 P3 O3 97.75(9) . . ?
O1 P3 C25 115.08(10) . . ?
O2 P3 C25 103.91(10) . . ?
O3 P3 C25 109.34(10) . . ?
C62 P4 C38 111.97(11) . . ?
C62 P4 C44 110.73(11) . . ?
C38 P4 C44 105.57(11) . . ?
C62 P4 Pd 93.67(8) . . ?
C38 P4 Pd 116.45(8) . . ?
C44 P4 Pd 118.17(8) . . ?
C62 P4 P5 39.39(8) . . ?
C38 P4 P5 123.29(8) . . ?
C44 P4 P5 128.67(8) . . ?
Pd P4 P5 54.405(18) . . ?
C62 P5 C56 112.04(11) . . ?
C62 P5 C50 111.43(11) . . ?
C56 P5 C50 107.16(11) . . ?
C62 P5 Pd 94.46(8) . . ?
C56 P5 Pd 115.09(8) . . ?
C50 P5 Pd 116.34(9) . . ?
C62 P5 P4 39.70(8) . . ?
C56 P5 P4 128.11(8) . . ?
C50 P5 P4 122.96(8) . . ?
Pd P5 P4 54.890(18) . . ?
O4 P6 O6 116.00(10) . . ?
O4 P6 O5 113.65(10) . . ?
O6 P6 O5 97.93(9) . . ?
O4 P6 C62 114.27(11) . . ?
O6 P6 C62 103.75(11) . . ?
O5 P6 C62 109.69(10) . . ?
C26 O2 P3 124.41(15) . . ?
C32 O3 P3 121.05(13) . . ?
C69 O5 P6 122.61(14) . . ?
C63 O6 P6 126.30(16) . . ?
C6 C1 C2 118.7(2) . . ?
C6 C1 P1 121.67(19) . . ?
C2 C1 P1 119.07(17) . . ?
C3 C2 C1 120.6(2) . . ?
C3 C2 H2 119.7 . . ?
C1 C2 H2 119.7 . . ?
C2 C3 C4 120.3(3) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C5 C4 C3 119.8(2) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 120.1(2) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 120.6(2) . . ?
C5 C6 H6 119.7 . . ?
C1 C6 H6 119.7 . . ?
C12 C7 C8 118.4(2) . . ?
C12 C7 P1 119.17(19) . . ?
C8 C7 P1 122.41(19) . . ?
C9 C8 C7 120.6(2) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C8 C9 C10 120.1(3) . . ?
C8 C9 H9 119.9 . . ?
C10 C9 H9 119.9 . . ?
C11 C10 C9 120.1(3) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 119.8(3) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C11 C12 C7 120.9(2) . . ?
C11 C12 H12 119.6 . . ?
C7 C12 H12 119.6 . . ?
C18 C13 C14 118.7(2) . . ?
C18 C13 P2 120.52(19) . . ?
C14 C13 P2 120.54(19) . . ?
C15 C14 C13 120.1(3) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C16 C15 C14 120.3(3) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 120.2(3) . . ?
C15 C16 H16 119.9 . . ?
C17 C16 H16 119.9 . . ?
C16 C17 C18 119.8(3) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C13 C18 C17 120.8(2) . . ?
C13 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C24 C19 C20 118.7(2) . . ?
C24 C19 P2 120.98(18) . . ?
C20 C19 P2 120.2(2) . . ?
C21 C20 C19 120.5(3) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 C20 120.4(3) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C23 C22 C21 119.8(2) . . ?
C23 C22 H22 120.1 . . ?
C21 C22 H22 120.1 . . ?
C22 C23 C24 120.4(3) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C19 C24 C23 120.3(2) . . ?
C19 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
P3 C25 P2 128.15(13) . . ?
P3 C25 P1 130.51(13) . . ?
P2 C25 P1 100.46(12) . . ?
C31 C26 C27 121.2(2) . . ?
C31 C26 O2 122.5(2) . . ?
C27 C26 O2 116.3(2) . . ?
C26 C27 C28 119.0(3) . . ?
C26 C27 H27 120.5 . . ?
C28 C27 H27 120.5 . . ?
C29 C28 C27 120.3(3) . . ?
C29 C28 H28 119.8 . . ?
C27 C28 H28 119.8 . . ?
C28 C29 C30 120.2(3) . . ?
C28 C29 H29 119.9 . . ?
C30 C29 H29 119.9 . . ?
C29 C30 C31 119.8(3) . . ?
C29 C30 H30 120.1 . . ?
C31 C30 H30 120.1 . . ?
C26 C31 C30 119.3(2) . . ?
C26 C31 H31 120.3 . . ?
C30 C31 H31 120.3 . . ?
C33 C32 C37 121.5(2) . . ?
C33 C32 O3 119.1(2) . . ?
C37 C32 O3 119.3(2) . . ?
C32 C33 C34 118.6(3) . . ?
C32 C33 H33 120.7 . . ?
C34 C33 H33 120.7 . . ?
C33 C34 C35 120.0(3) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C36 C35 C34 120.4(3) . . ?
C36 C35 H35 119.8 . . ?
C34 C35 H35 119.8 . . ?
C35 C36 C37 120.4(3) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C36 C37 C32 119.1(3) . . ?
C36 C37 H37 120.5 . . ?
C32 C37 H37 120.5 . . ?
C39 C38 C43 118.6(2) . . ?
C39 C38 P4 121.9(2) . . ?
C43 C38 P4 119.22(18) . . ?
C40 C39 C38 119.9(3) . . ?
C40 C39 H39 120.1 . . ?
C38 C39 H39 120.1 . . ?
C41 C40 C39 120.6(3) . . ?
C41 C40 H40 119.7 . . ?
C39 C40 H40 119.7 . . ?
C42 C41 C40 119.9(3) . . ?
C42 C41 H41 120.1 . . ?
C40 C41 H41 120.1 . . ?
C41 C42 C43 120.3(3) . . ?
C41 C42 H42 119.9 . . ?
C43 C42 H42 119.9 . . ?
C42 C43 C38 120.8(3) . . ?
C42 C43 H43 119.6 . . ?
C38 C43 H43 119.6 . . ?
C45 C44 C49 119.0(2) . . ?
C45 C44 P4 122.12(19) . . ?
C49 C44 P4 118.53(18) . . ?
C46 C45 C44 121.0(3) . . ?
C46 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C45 C46 C47 119.6(3) . . ?
C45 C46 H46 120.2 . . ?
C47 C46 H46 120.2 . . ?
C48 C47 C46 120.3(2) . . ?
C48 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C47 C48 C49 120.1(3) . . ?
C47 C48 H48 119.9 . . ?
C49 C48 H48 119.9 . . ?
C48 C49 C44 120.1(3) . . ?
C48 C49 H49 120.0 . . ?
C44 C49 H49 120.0 . . ?
C51 C50 C55 119.5(2) . . ?
C51 C50 P5 117.89(18) . . ?
C55 C50 P5 122.27(19) . . ?
C50 C51 C52 120.8(2) . . ?
C50 C51 H51 119.6 . . ?
C52 C51 H51 119.6 . . ?
C53 C52 C51 119.5(3) . . ?
C53 C52 H52 120.3 . . ?
C51 C52 H52 120.3 . . ?
C52 C53 C54 120.3(2) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 H53 119.8 . . ?
C53 C54 C55 120.6(3) . . ?
C53 C54 H54 119.7 . . ?
C55 C54 H54 119.7 . . ?
C54 C55 C50 119.4(3) . . ?
C54 C55 H55 120.3 . . ?
C50 C55 H55 120.3 . . ?
C57 C56 C61 119.0(2) . . ?
C57 C56 P5 117.75(18) . . ?
C61 C56 P5 122.59(19) . . ?
C58 C57 C56 120.4(2) . . ?
C58 C57 H57 119.8 . . ?
C56 C57 H57 119.8 . . ?
C57 C58 C59 120.6(3) . . ?
C57 C58 H58 119.7 . . ?
C59 C58 H58 119.7 . . ?
C60 C59 C58 119.6(3) . . ?
C60 C59 H59 120.2 . . ?
C58 C59 H59 120.2 . . ?
C59 C60 C61 120.7(2) . . ?
C59 C60 H60 119.6 . . ?
C61 C60 H60 119.6 . . ?
C60 C61 C56 119.6(2) . . ?
C60 C61 H61 120.2 . . ?
C56 C61 H61 120.2 . . ?
P6 C62 P5 126.21(13) . . ?
P6 C62 P4 132.49(13) . . ?
P5 C62 P4 100.91(12) . . ?
C68 C63 C64 121.5(3) . . ?
C68 C63 O6 122.9(2) . . ?
C64 C63 O6 115.5(2) . . ?
C63 C64 C65 118.3(3) . . ?
C63 C64 H64 120.8 . . ?
C65 C64 H64 120.8 . . ?
C66 C65 C64 120.7(3) . . ?
C66 C65 H65 119.6 . . ?
C64 C65 H65 119.6 . . ?
C65 C66 C67 119.8(3) . . ?
C65 C66 H66 120.1 . . ?
C67 C66 H66 120.1 . . ?
C66 C67 C68 120.7(3) . . ?
C66 C67 H67 119.6 . . ?
C68 C67 H67 119.6 . . ?
C63 C68 C67 118.9(3) . . ?
C63 C68 H68 120.6 . . ?
C67 C68 H68 120.6 . . ?
C74 C69 C70 121.8(2) . . ?
C74 C69 O5 118.3(2) . . ?
C70 C69 O5 119.6(2) . . ?
C71 C70 C69 118.5(3) . . ?
C71 C70 H70 120.7 . . ?
C69 C70 H70 120.7 . . ?
C70 C71 C72 120.8(3) . . ?
C70 C71 H71 119.6 . . ?
C72 C71 H71 119.6 . . ?
C71 C72 C73 120.0(3) . . ?
C71 C72 H72 120.0 . . ?
C73 C72 H72 120.0 . . ?
C72 C73 C74 120.1(3) . . ?
C72 C73 H73 119.9 . . ?
C74 C73 H73 119.9 . . ?
C69 C74 C73 118.7(3) . . ?
C69 C74 H74 120.6 . . ?
C73 C74 H74 120.6 . . ?
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
Pd P1 2.3239(6) . ?
Pd P5 2.3255(6) . ?
Pd P2 2.3316(6) . ?
Pd P4 2.3396(6) . ?
P1 C25 1.755(2) . ?
P1 C7 1.813(2) . ?
P1 C1 1.821(2) . ?
P1 P2 2.6929(8) . ?
P2 C25 1.749(2) . ?
P2 C19 1.818(2) . ?
P2 C13 1.822(2) . ?
P3 O1 1.4677(16) . ?
P3 O2 1.6028(17) . ?
P3 O3 1.6094(17) . ?
P3 C25 1.722(2) . ?
P4 C62 1.756(2) . ?
P4 C38 1.818(2) . ?
P4 C44 1.828(2) . ?
P4 P5 2.6993(8) . ?
P5 C62 1.745(2) . ?
P5 C56 1.810(2) . ?
P5 C50 1.818(2) . ?
P6 O4 1.4696(17) . ?
P6 O6 1.5929(18) . ?
P6 O5 1.6038(16) . ?
P6 C62 1.716(2) . ?
O2 C26 1.390(3) . ?
O3 C32 1.400(3) . ?
O5 C69 1.398(3) . ?
O6 C63 1.394(3) . ?
C1 C6 1.392(3) . ?
C1 C2 1.393(3) . ?
C2 C3 1.378(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.385(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.386(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.391(3) . ?
C7 C8 1.401(3) . ?
C8 C9 1.374(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.386(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.379(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.383(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.385(3) . ?
C13 C14 1.401(3) . ?
C14 C15 1.387(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.375(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(4) . ?
C16 H16 0.9500 . ?
C17 C18 1.387(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.387(4) . ?
C19 C20 1.393(3) . ?
C20 C21 1.384(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.375(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.374(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.390(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C26 C31 1.371(4) . ?
C26 C27 1.384(3) . ?
C27 C28 1.389(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.369(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.388(4) . ?
C29 H29 0.9500 . ?
C30 C31 1.389(4) . ?
C30 H30 0.9500 . ?
C31 H31 0.9500 . ?
C32 C33 1.372(4) . ?
C32 C37 1.382(4) . ?
C33 C34 1.387(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.387(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.358(5) . ?
C35 H35 0.9500 . ?
C36 C37 1.380(4) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 C39 1.396(3) . ?
C38 C43 1.398(3) . ?
C39 C40 1.390(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.379(5) . ?
C40 H40 0.9500 . ?
C41 C42 1.375(4) . ?
C41 H41 0.9500 . ?
C42 C43 1.378(4) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C45 1.387(3) . ?
C44 C49 1.391(3) . ?
C45 C46 1.381(4) . ?
C45 H45 0.9500 . ?
C46 C47 1.383(4) . ?
C46 H46 0.9500 . ?
C47 C48 1.376(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.391(4) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C50 C51 1.385(4) . ?
C50 C55 1.393(3) . ?
C51 C52 1.386(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.378(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.380(4) . ?
C53 H53 0.9500 . ?
C54 C55 1.388(3) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
C56 C57 1.390(3) . ?
C56 C61 1.394(3) . ?
C57 C58 1.375(4) . ?
C57 H57 0.9500 . ?
C58 C59 1.375(4) . ?
C58 H58 0.9500 . ?
C59 C60 1.374(4) . ?
C59 H59 0.9500 . ?
C60 C61 1.387(4) . ?
C60 H60 0.9500 . ?
C61 H61 0.9500 . ?
C63 C68 1.367(4) . ?
C63 C64 1.383(4) . ?
C64 C65 1.388(4) . ?
C64 H64 0.9500 . ?
C65 C66 1.367(5) . ?
C65 H65 0.9500 . ?
C66 C67 1.372(5) . ?
C66 H66 0.9500 . ?
C67 C68 1.382(4) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C74 1.376(3) . ?
C69 C70 1.377(3) . ?
C70 C71 1.374(4) . ?
C70 H70 0.9500 . ?
C71 C72 1.376(5) . ?
C71 H71 0.9500 . ?
C72 C73 1.377(5) . ?
C72 H72 0.9500 . ?
C73 C74 1.385(4) . ?
C73 H73 0.9500 . ?
C74 H74 0.9500 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P5 Pd P1 C25 -15.1(18) . . . . ?
P2 Pd P1 C25 4.72(8) . . . . ?
P4 Pd P1 C25 -176.74(8) . . . . ?
P5 Pd P1 C7 104.1(18) . . . . ?
P2 Pd P1 C7 123.88(9) . . . . ?
P4 Pd P1 C7 -57.57(9) . . . . ?
P5 Pd P1 C1 -131.8(17) . . . . ?
P2 Pd P1 C1 -111.98(9) . . . . ?
P4 Pd P1 C1 66.56(9) . . . . ?
P5 Pd P1 P2 -19.8(18) . . . . ?
P4 Pd P1 P2 178.54(2) . . . . ?
P1 Pd P2 C25 -4.74(8) . . . . ?
P5 Pd P2 C25 174.99(8) . . . . ?
P4 Pd P2 C25 -122.1(8) . . . . ?
P1 Pd P2 C19 -123.54(9) . . . . ?
P5 Pd P2 C19 56.18(9) . . . . ?
P4 Pd P2 C19 119.1(8) . . . . ?
P1 Pd P2 C13 111.84(9) . . . . ?
P5 Pd P2 C13 -68.43(9) . . . . ?
P4 Pd P2 C13 -5.5(8) . . . . ?
P5 Pd P2 P1 179.73(2) . . . . ?
P4 Pd P2 P1 -117.3(8) . . . . ?
C7 P1 P2 C25 73.76(17) . . . . ?
C1 P1 P2 C25 -89.56(15) . . . . ?
Pd P1 P2 C25 172.62(13) . . . . ?
C25 P1 P2 C19 -76.31(16) . . . . ?
C7 P1 P2 C19 -2.54(16) . . . . ?
C1 P1 P2 C19 -165.87(14) . . . . ?
Pd P1 P2 C19 96.31(11) . . . . ?
C25 P1 P2 C13 85.23(16) . . . . ?
C7 P1 P2 C13 158.99(14) . . . . ?
C1 P1 P2 C13 -4.33(14) . . . . ?
Pd P1 P2 C13 -102.16(10) . . . . ?
C25 P1 P2 Pd -172.62(13) . . . . ?
C7 P1 P2 Pd -98.85(11) . . . . ?
C1 P1 P2 Pd 97.82(9) . . . . ?
P1 Pd P4 C62 -176.91(8) . . . . ?
P5 Pd P4 C62 3.35(8) . . . . ?
P2 Pd P4 C62 -60.1(8) . . . . ?
P1 Pd P4 C38 66.30(9) . . . . ?
P5 Pd P4 C38 -113.44(9) . . . . ?
P2 Pd P4 C38 -177(54) . . . . ?
P1 Pd P4 C44 -61.02(9) . . . . ?
P5 Pd P4 C44 119.24(9) . . . . ?
P2 Pd P4 C44 55.8(8) . . . . ?
P1 Pd P4 P5 179.74(2) . . . . ?
P2 Pd P4 P5 -63.4(8) . . . . ?
P1 Pd P5 C62 -165.1(17) . . . . ?
P2 Pd P5 C62 175.17(8) . . . . ?
P4 Pd P5 C62 -3.37(8) . . . . ?
P1 Pd P5 C56 78.0(18) . . . . ?
P2 Pd P5 C56 58.29(9) . . . . ?
P4 Pd P5 C56 -120.26(9) . . . . ?
P1 Pd P5 C50 -48.5(18) . . . . ?
P2 Pd P5 C50 -68.24(9) . . . . ?
P4 Pd P5 C50 113.21(9) . . . . ?
P1 Pd P5 P4 -161.7(18) . . . . ?
P2 Pd P5 P4 178.55(2) . . . . ?
C38 P4 P5 C62 -84.60(16) . . . . ?
C44 P4 P5 C62 74.91(16) . . . . ?
Pd P4 P5 C62 174.73(12) . . . . ?
C62 P4 P5 C56 -78.56(16) . . . . ?
C38 P4 P5 C56 -163.16(14) . . . . ?
C44 P4 P5 C56 -3.66(15) . . . . ?
Pd P4 P5 C56 96.17(10) . . . . ?
C62 P4 P5 C50 84.29(16) . . . . ?
C38 P4 P5 C50 -0.31(14) . . . . ?
C44 P4 P5 C50 159.19(14) . . . . ?
Pd P4 P5 C50 -100.98(10) . . . . ?
C62 P4 P5 Pd -174.73(12) . . . . ?
C38 P4 P5 Pd 100.68(10) . . . . ?
C44 P4 P5 Pd -99.82(10) . . . . ?
O1 P3 O2 C26 73.1(2) . . . . ?
O3 P3 O2 C26 -47.6(2) . . . . ?
C25 P3 O2 C26 -159.80(19) . . . . ?
O1 P3 O3 C32 29.2(2) . . . . ?
O2 P3 O3 C32 151.50(18) . . . . ?
C25 P3 O3 C32 -100.74(19) . . . . ?
O4 P6 O5 C69 32.8(2) . . . . ?
O6 P6 O5 C69 155.77(18) . . . . ?
C62 P6 O5 C69 -96.49(19) . . . . ?
O4 P6 O6 C63 72.9(2) . . . . ?
O5 P6 O6 C63 -48.3(2) . . . . ?
C62 P6 O6 C63 -160.88(19) . . . . ?
C25 P1 C1 C6 151.7(2) . . . . ?
C7 P1 C1 C6 28.1(2) . . . . ?
Pd P1 C1 C6 -103.1(2) . . . . ?
P2 P1 C1 C6 -164.53(18) . . . . ?
C25 P1 C1 C2 -37.3(2) . . . . ?
C7 P1 C1 C2 -160.8(2) . . . . ?
Pd P1 C1 C2 67.9(2) . . . . ?
P2 P1 C1 C2 6.5(2) . . . . ?
C6 C1 C2 C3 0.1(4) . . . . ?
P1 C1 C2 C3 -171.2(2) . . . . ?
C1 C2 C3 C4 -0.5(5) . . . . ?
C2 C3 C4 C5 -0.1(5) . . . . ?
C3 C4 C5 C6 1.0(5) . . . . ?
C4 C5 C6 C1 -1.4(4) . . . . ?
C2 C1 C6 C5 0.8(4) . . . . ?
P1 C1 C6 C5 171.9(2) . . . . ?
C25 P1 C7 C12 101.9(2) . . . . ?
C1 P1 C7 C12 -134.7(2) . . . . ?
Pd P1 C7 C12 -7.0(2) . . . . ?
P2 P1 C7 C12 60.2(2) . . . . ?
C25 P1 C7 C8 -76.3(2) . . . . ?
C1 P1 C7 C8 47.1(2) . . . . ?
Pd P1 C7 C8 174.77(17) . . . . ?
P2 P1 C7 C8 -118.01(18) . . . . ?
C12 C7 C8 C9 1.3(4) . . . . ?
P1 C7 C8 C9 179.5(2) . . . . ?
C7 C8 C9 C10 -0.8(4) . . . . ?
C8 C9 C10 C11 -0.9(4) . . . . ?
C9 C10 C11 C12 2.0(5) . . . . ?
C10 C11 C12 C7 -1.5(5) . . . . ?
C8 C7 C12 C11 -0.2(4) . . . . ?
P1 C7 C12 C11 -178.4(2) . . . . ?
C25 P2 C13 C18 104.8(2) . . . . ?
C19 P2 C13 C18 -132.7(2) . . . . ?
Pd P2 C13 C18 -1.9(2) . . . . ?
P1 P2 C13 C18 61.4(2) . . . . ?
C25 P2 C13 C14 -69.9(2) . . . . ?
C19 P2 C13 C14 52.7(2) . . . . ?
Pd P2 C13 C14 -176.56(17) . . . . ?
P1 P2 C13 C14 -113.19(18) . . . . ?
C18 C13 C14 C15 -1.7(4) . . . . ?
P2 C13 C14 C15 173.1(2) . . . . ?
C13 C14 C15 C16 1.2(4) . . . . ?
C14 C15 C16 C17 0.2(4) . . . . ?
C15 C16 C17 C18 -1.0(4) . . . . ?
C14 C13 C18 C17 0.8(4) . . . . ?
P2 C13 C18 C17 -173.9(2) . . . . ?
C16 C17 C18 C13 0.5(4) . . . . ?
C25 P2 C19 C24 -16.7(2) . . . . ?
C13 P2 C19 C24 -138.0(2) . . . . ?
Pd P2 C19 C24 91.1(2) . . . . ?
P1 P2 C19 C24 26.0(3) . . . . ?
C25 P2 C19 C20 168.1(2) . . . . ?
C13 P2 C19 C20 46.8(2) . . . . ?
Pd P2 C19 C20 -84.0(2) . . . . ?
P1 P2 C19 C20 -149.19(17) . . . . ?
C24 C19 C20 C21 0.6(4) . . . . ?
P2 C19 C20 C21 175.8(2) . . . . ?
C19 C20 C21 C22 -0.2(4) . . . . ?
C20 C21 C22 C23 -0.6(5) . . . . ?
C21 C22 C23 C24 1.0(5) . . . . ?
C20 C19 C24 C23 -0.1(4) . . . . ?
P2 C19 C24 C23 -175.4(2) . . . . ?
C22 C23 C24 C19 -0.7(4) . . . . ?
O1 P3 C25 P2 13.5(2) . . . . ?
O2 P3 C25 P2 -113.99(17) . . . . ?
O3 P3 C25 P2 142.47(15) . . . . ?
O1 P3 C25 P1 -179.42(15) . . . . ?
O2 P3 C25 P1 53.1(2) . . . . ?
O3 P3 C25 P1 -50.4(2) . . . . ?
C19 P2 C25 P3 -62.2(2) . . . . ?
C13 P2 C25 P3 54.9(2) . . . . ?
Pd P2 C25 P3 176.10(16) . . . . ?
P1 P2 C25 P3 170.1(3) . . . . ?
C19 P2 C25 P1 127.68(11) . . . . ?
C13 P2 C25 P1 -115.18(12) . . . . ?
Pd P2 C25 P1 6.02(10) . . . . ?
C7 P1 C25 P3 60.4(2) . . . . ?
C1 P1 C25 P3 -58.9(2) . . . . ?
Pd P1 C25 P3 -175.78(17) . . . . ?
P2 P1 C25 P3 -169.7(3) . . . . ?
C7 P1 C25 P2 -129.91(12) . . . . ?
C1 P1 C25 P2 110.79(12) . . . . ?
Pd P1 C25 P2 -6.04(10) . . . . ?
P3 O2 C26 C31 -38.5(3) . . . . ?
P3 O2 C26 C27 143.6(2) . . . . ?
C31 C26 C27 C28 -0.5(4) . . . . ?
O2 C26 C27 C28 177.4(2) . . . . ?
C26 C27 C28 C29 1.5(5) . . . . ?
C27 C28 C29 C30 -0.9(5) . . . . ?
C28 C29 C30 C31 -0.6(5) . . . . ?
C27 C26 C31 C30 -1.0(4) . . . . ?
O2 C26 C31 C30 -178.8(2) . . . . ?
C29 C30 C31 C26 1.6(5) . . . . ?
P3 O3 C32 C33 102.8(2) . . . . ?
P3 O3 C32 C37 -78.6(3) . . . . ?
C37 C32 C33 C34 0.4(4) . . . . ?
O3 C32 C33 C34 178.9(2) . . . . ?
C32 C33 C34 C35 -0.5(5) . . . . ?
C33 C34 C35 C36 0.2(5) . . . . ?
C34 C35 C36 C37 0.3(5) . . . . ?
C35 C36 C37 C32 -0.5(4) . . . . ?
C33 C32 C37 C36 0.1(4) . . . . ?
O3 C32 C37 C36 -178.4(2) . . . . ?
C62 P4 C38 C39 153.6(2) . . . . ?
C44 P4 C38 C39 33.0(2) . . . . ?
Pd P4 C38 C39 -100.3(2) . . . . ?
P5 P4 C38 C39 -163.50(19) . . . . ?
C62 P4 C38 C43 -32.9(2) . . . . ?
C44 P4 C38 C43 -153.5(2) . . . . ?
Pd P4 C38 C43 73.2(2) . . . . ?
P5 P4 C38 C43 10.0(2) . . . . ?
C43 C38 C39 C40 0.2(4) . . . . ?
P4 C38 C39 C40 173.8(2) . . . . ?
C38 C39 C40 C41 0.0(5) . . . . ?
C39 C40 C41 C42 -0.4(5) . . . . ?
C40 C41 C42 C43 0.5(5) . . . . ?
C41 C42 C43 C38 -0.3(4) . . . . ?
C39 C38 C43 C42 -0.1(4) . . . . ?
P4 C38 C43 C42 -173.8(2) . . . . ?
C62 P4 C44 C45 -78.9(2) . . . . ?
C38 P4 C44 C45 42.5(2) . . . . ?
Pd P4 C44 C45 174.80(17) . . . . ?
P5 P4 C44 C45 -119.85(19) . . . . ?
C62 P4 C44 C49 94.0(2) . . . . ?
C38 P4 C44 C49 -144.6(2) . . . . ?
Pd P4 C44 C49 -12.3(2) . . . . ?
P5 P4 C44 C49 53.1(2) . . . . ?
C49 C44 C45 C46 -0.7(4) . . . . ?
P4 C44 C45 C46 172.2(2) . . . . ?
C44 C45 C46 C47 0.9(4) . . . . ?
C45 C46 C47 C48 -0.6(4) . . . . ?
C46 C47 C48 C49 0.1(5) . . . . ?
C47 C48 C49 C44 0.1(4) . . . . ?
C45 C44 C49 C48 0.2(4) . . . . ?
P4 C44 C49 C48 -173.0(2) . . . . ?
C62 P5 C50 C51 96.8(2) . . . . ?
C56 P5 C50 C51 -140.3(2) . . . . ?
Pd P5 C50 C51 -9.9(2) . . . . ?
P4 P5 C50 C51 53.7(2) . . . . ?
C62 P5 C50 C55 -76.6(2) . . . . ?
C56 P5 C50 C55 46.3(2) . . . . ?
Pd P5 C50 C55 176.66(18) . . . . ?
P4 P5 C50 C55 -119.7(2) . . . . ?
C55 C50 C51 C52 0.8(4) . . . . ?
P5 C50 C51 C52 -172.8(2) . . . . ?
C50 C51 C52 C53 -0.3(4) . . . . ?
C51 C52 C53 C54 -0.5(4) . . . . ?
C52 C53 C54 C55 0.9(4) . . . . ?
C53 C54 C55 C50 -0.4(4) . . . . ?
C51 C50 C55 C54 -0.4(4) . . . . ?
P5 C50 C55 C54 172.9(2) . . . . ?
C62 P5 C56 C57 -33.8(2) . . . . ?
C50 P5 C56 C57 -156.3(2) . . . . ?
Pd P5 C56 C57 72.6(2) . . . . ?
P4 P5 C56 C57 8.7(3) . . . . ?
C62 P5 C56 C61 155.3(2) . . . . ?
C50 P5 C56 C61 32.8(2) . . . . ?
Pd P5 C56 C61 -98.3(2) . . . . ?
P4 P5 C56 C61 -162.25(17) . . . . ?
C61 C56 C57 C58 1.2(4) . . . . ?
P5 C56 C57 C58 -170.0(2) . . . . ?
C56 C57 C58 C59 -0.7(4) . . . . ?
C57 C58 C59 C60 -0.4(5) . . . . ?
C58 C59 C60 C61 0.9(5) . . . . ?
C59 C60 C61 C56 -0.4(4) . . . . ?
C57 C56 C61 C60 -0.7(4) . . . . ?
P5 C56 C61 C60 170.1(2) . . . . ?
O4 P6 C62 P5 12.0(2) . . . . ?
O6 P6 C62 P5 -115.25(16) . . . . ?
O5 P6 C62 P5 140.95(15) . . . . ?
O4 P6 C62 P4 -176.60(16) . . . . ?
O6 P6 C62 P4 56.1(2) . . . . ?
O5 P6 C62 P4 -47.7(2) . . . . ?
C56 P5 C62 P6 -62.75(19) . . . . ?
C50 P5 C62 P6 57.3(2) . . . . ?
Pd P5 C62 P6 177.87(15) . . . . ?
P4 P5 C62 P6 173.6(2) . . . . ?
C56 P5 C62 P4 123.70(12) . . . . ?
C50 P5 C62 P4 -116.25(12) . . . . ?
Pd P5 C62 P4 4.32(10) . . . . ?
C38 P4 C62 P6 -56.8(2) . . . . ?
C44 P4 C62 P6 60.8(2) . . . . ?
Pd P4 C62 P6 -177.23(17) . . . . ?
P5 P4 C62 P6 -172.9(3) . . . . ?
C38 P4 C62 P5 116.18(12) . . . . ?
C44 P4 C62 P5 -126.30(12) . . . . ?
Pd P4 C62 P5 -4.29(10) . . . . ?
P6 O6 C63 C68 -39.7(3) . . . . ?
P6 O6 C63 C64 144.0(2) . . . . ?
C68 C63 C64 C65 -0.9(4) . . . . ?
O6 C63 C64 C65 175.4(3) . . . . ?
C63 C64 C65 C66 1.3(5) . . . . ?
C64 C65 C66 C67 -0.5(5) . . . . ?
C65 C66 C67 C68 -0.9(5) . . . . ?
C64 C63 C68 C67 -0.5(4) . . . . ?
O6 C63 C68 C67 -176.5(2) . . . . ?
C66 C67 C68 C63 1.4(5) . . . . ?
P6 O5 C69 C74 104.0(2) . . . . ?
P6 O5 C69 C70 -81.1(3) . . . . ?
C74 C69 C70 C71 0.3(4) . . . . ?
O5 C69 C70 C71 -174.4(2) . . . . ?
C69 C70 C71 C72 1.3(4) . . . . ?
C70 C71 C72 C73 -2.1(5) . . . . ?
C71 C72 C73 C74 1.2(4) . . . . ?
C70 C69 C74 C73 -1.2(4) . . . . ?
O5 C69 C74 C73 173.6(2) . . . . ?
C72 C73 C74 C69 0.4(4) . . . . ?
