#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:14:35 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179781 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/77/7007744.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_7007744
loop_
_publ_author_name
'Koshevoy, Igor O.'
'Lahuerta, Pascual'
'Sanaú, Mercedes'
'Ubeda, M. Angeles'
'Doménech, Antonio'
_publ_section_title
;
 Dinuclear palladium(II) compounds with bridging cyclometalated
 phosphines. Synthesis, crystal structure and electrochemical study.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5536
_journal_page_last               5541
_journal_paper_doi               10.1039/b609829k
_journal_year                    2006
_chemical_formula_sum            'C40 H28 F6 O4 P2 Pd2'
_chemical_formula_weight         961.36
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 94.822(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.315(3)
_cell_length_b                   21.427(6)
_cell_length_c                   14.530(4)
_cell_measurement_temperature    153(2)
_cell_volume                     3820.5(18)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.0634
_diffrn_reflns_av_sigmaI/netI    0.0867
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            32408
_diffrn_reflns_theta_full        30.59
_diffrn_reflns_theta_max         30.59
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.095
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.671
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1904
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.987
_refine_diff_density_min         -0.768
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         11655
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_R_factor_all          0.1197
_refine_ls_R_factor_gt           0.0479
_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)+(0.0489P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1049
_refine_ls_wR_factor_ref         0.1262
_reflns_number_gt                6090
_reflns_number_total             11655
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b609829k.txt
_cod_data_source_block           Compound4
_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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        3820.6(17)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7007744
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
Pd1 Pd 0.99219(2) 1.968390(14) 1.156128(19) 0.03155(9) Uani 1 1 d . . .
O1 O 1.0732(2) 2.05756(13) 1.1714(2) 0.0453(7) Uani 1 1 d . . .
C1 C 1.1218(4) 2.0725(2) 1.2467(3) 0.0431(10) Uani 1 1 d . . .
F1 F 1.1186(6) 2.1803(2) 1.2425(6) 0.233(4) Uani 1 1 d . . .
P1 P 1.14408(8) 1.91196(5) 1.15619(7) 0.0345(2) Uani 1 1 d . . .
P2 P 0.91218(8) 1.88551(5) 1.34134(7) 0.0344(2) Uani 1 1 d . . .
Pd2 Pd 1.02195(2) 1.968187(14) 1.343952(19) 0.03403(9) Uani 1 1 d . . .
O2 O 1.1277(2) 2.04667(14) 1.3231(2) 0.0469(8) Uani 1 1 d . . .
C2 C 1.1839(6) 2.1335(3) 1.2449(4) 0.0758(18) Uani 1 1 d . . .
F2 F 1.2438(6) 2.1464(3) 1.3109(3) 0.242(4) Uani 1 1 d . . .
O3 O 0.8448(2) 2.01956(13) 1.1793(2) 0.0453(7) Uani 1 1 d . . .
C3 C 0.8346(4) 2.04280(19) 1.2561(3) 0.0409(10) Uani 1 1 d . . .
F3 F 1.2303(4) 2.1434(2) 1.1727(3) 0.157(2) Uani 1 1 d . . .
C4 C 0.7400(4) 2.0879(3) 1.2623(4) 0.0610(14) Uani 1 1 d . . .
O4 O 0.8905(2) 2.03538(13) 1.3313(2) 0.0456(7) Uani 1 1 d . . .
F4 F 0.7749(3) 2.14385(17) 1.2826(3) 0.1310(17) Uani 1 1 d . . .
F5 F 0.6763(3) 2.0728(2) 1.3257(3) 0.1254(17) Uani 1 1 d . . .
F6 F 0.6776(3) 2.09361(18) 1.1848(2) 0.1014(13) Uani 1 1 d . . .
C11 C 1.1885(3) 1.88404(19) 1.2719(3) 0.0373(9) Uani 1 1 d . . .
C12 C 1.1446(3) 1.90816(19) 1.3508(3) 0.0369(9) Uani 1 1 d . . .
C13 C 1.1942(4) 1.8917(2) 1.4369(3) 0.0481(11) Uani 1 1 d . . .
H13 H 1.1671 1.9079 1.4898 0.058 Uiso 1 1 calc R . .
C14 C 1.2815(4) 1.8523(2) 1.4459(3) 0.0564(13) Uani 1 1 d . . .
H14 H 1.3143 1.8431 1.5043 0.068 Uiso 1 1 calc R . .
C15 C 1.3217(4) 1.8262(2) 1.3688(3) 0.0543(12) Uani 1 1 d . . .
H15 H 1.3791 1.7978 1.3750 0.065 Uiso 1 1 calc R . .
C16 C 1.2759(3) 1.8425(2) 1.2831(3) 0.0488(11) Uani 1 1 d . . .
H16 H 1.3037 1.8256 1.2311 0.059 Uiso 1 1 calc R . .
C21 C 1.2554(3) 1.96167(19) 1.1251(3) 0.0400(10) Uani 1 1 d . . .
C22 C 1.3474(4) 1.9719(3) 1.1836(4) 0.0747(17) Uani 1 1 d . . .
H22 H 1.3545 1.9523 1.2409 0.090 Uiso 1 1 calc R . .
C23 C 1.4298(5) 2.0109(3) 1.1583(5) 0.097(2) Uani 1 1 d . . .
H23 H 1.4909 2.0178 1.1991 0.116 Uiso 1 1 calc R . .
C24 C 1.4215(5) 2.0393(3) 1.0735(5) 0.0812(19) Uani 1 1 d . . .
H24 H 1.4781 2.0638 1.0552 0.097 Uiso 1 1 calc R . .
C25 C 1.3292(4) 2.0310(2) 1.0165(4) 0.0624(14) Uani 1 1 d . . .
H25 H 1.3222 2.0509 0.9594 0.075 Uiso 1 1 calc R . .
C26 C 1.2463(4) 1.9936(2) 1.0420(3) 0.0510(11) Uani 1 1 d . . .
H26 H 1.1830 1.9897 1.0027 0.061 Uiso 1 1 calc R . .
C31 C 1.1454(3) 1.8441(2) 1.0809(3) 0.0428(10) Uani 1 1 d . . .
C32 C 1.1672(7) 1.8485(3) 0.9915(4) 0.124(3) Uani 1 1 d . . .
H32 H 1.1883 1.8867 0.9685 0.149 Uiso 1 1 calc R . .
C33 C 1.1585(10) 1.7965(4) 0.9329(6) 0.194(6) Uani 1 1 d . . .
H33 H 1.1734 1.7999 0.8714 0.233 Uiso 1 1 calc R . .
C34 C 1.1277(7) 1.7405(3) 0.9679(5) 0.110(3) Uani 1 1 d . . .
H34 H 1.1244 1.7052 0.9306 0.132 Uiso 1 1 calc R . .
C35 C 1.1026(4) 1.7362(2) 1.0547(4) 0.0688(15) Uani 1 1 d . . .
H35 H 1.0793 1.6983 1.0774 0.083 Uiso 1 1 calc R . .
C36 C 1.1110(4) 1.7877(2) 1.1107(4) 0.0590(13) Uani 1 1 d . . .
H36 H 1.0925 1.7840 1.1712 0.071 Uiso 1 1 calc R . .
C41 C 0.8849(3) 1.85492(19) 1.2248(3) 0.0381(9) Uani 1 1 d . . .
C42 C 0.9135(3) 1.88766(18) 1.1470(3) 0.0334(9) Uani 1 1 d . . .
C43 C 0.8805(3) 1.8645(2) 1.0596(3) 0.0413(10) Uani 1 1 d . . .
H43 H 0.8998 1.8858 1.0076 0.050 Uiso 1 1 calc R . .
C44 C 0.8200(4) 1.8109(2) 1.0488(3) 0.0518(12) Uani 1 1 d . . .
H44 H 0.7972 1.7967 0.9898 0.062 Uiso 1 1 calc R . .
C45 C 0.7926(4) 1.7778(2) 1.1257(3) 0.0613(13) Uani 1 1 d . . .
H45 H 0.7525 1.7411 1.1184 0.074 Uiso 1 1 calc R . .
C46 C 0.8252(4) 1.7994(2) 1.2124(3) 0.0501(12) Uani 1 1 d . . .
H46 H 0.8074 1.7770 1.2638 0.060 Uiso 1 1 calc R . .
C51 C 0.9492(3) 1.8165(2) 1.4114(3) 0.0405(10) Uani 1 1 d . . .
C52 C 1.0126(4) 1.7706(2) 1.3786(3) 0.0583(13) Uani 1 1 d . . .
H52 H 1.0363 1.7750 1.3199 0.070 Uiso 1 1 calc R . .
C53 C 1.0426(4) 1.7185(2) 1.4288(4) 0.0723(16) Uani 1 1 d . . .
H53 H 1.0855 1.6881 1.4040 0.087 Uiso 1 1 calc R . .
C54 C 1.0102(5) 1.7114(3) 1.5136(4) 0.095(2) Uani 1 1 d . . .
H54 H 1.0281 1.6754 1.5473 0.114 Uiso 1 1 calc R . .
C55 C 0.9522(8) 1.7561(4) 1.5496(5) 0.141(4) Uani 1 1 d . . .
H55 H 0.9328 1.7521 1.6098 0.169 Uiso 1 1 calc R . .
C56 C 0.9197(6) 1.8096(3) 1.4979(4) 0.107(3) Uani 1 1 d . . .
H56 H 0.8778 1.8401 1.5236 0.128 Uiso 1 1 calc R . .
C61 C 0.7788(3) 1.90891(19) 1.3756(3) 0.0395(10) Uani 1 1 d . . .
C62 C 0.6830(4) 1.8998(2) 1.3203(3) 0.0514(12) Uani 1 1 d . . .
H62 H 0.6859 1.8833 1.2613 0.062 Uiso 1 1 calc R . .
C63 C 0.5843(4) 1.9144(3) 1.3511(4) 0.0691(15) Uani 1 1 d . . .
H63 H 0.5208 1.9075 1.3132 0.083 Uiso 1 1 calc R . .
C64 C 0.5783(4) 1.9392(3) 1.4369(5) 0.0752(18) Uani 1 1 d . . .
H64 H 0.5106 1.9479 1.4580 0.090 Uiso 1 1 calc R . .
C65 C 0.6723(5) 1.9515(3) 1.4924(4) 0.0731(17) Uani 1 1 d . . .
H65 H 0.6685 1.9694 1.5504 0.088 Uiso 1 1 calc R . .
C66 C 0.7723(4) 1.9370(2) 1.4611(3) 0.0507(12) Uani 1 1 d . . .
H66 H 0.8359 1.9462 1.4977 0.061 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'
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'
F F 0.0171 0.0103 '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
C42 Pd1 O1 177.23(13) . . ?
C42 Pd1 O3 92.33(13) . . ?
O1 Pd1 O3 85.53(11) . . ?
C42 Pd1 P1 86.12(11) . . ?
O1 Pd1 P1 95.72(9) . . ?
O3 Pd1 P1 170.84(8) . . ?
C42 Pd1 Pd2 95.14(11) . . ?
O1 Pd1 Pd2 82.90(8) . . ?
O3 Pd1 Pd2 83.64(8) . . ?
P1 Pd1 Pd2 87.50(3) . . ?
C1 O1 Pd1 120.1(3) . . ?
O2 C1 O1 131.5(4) . . ?
O2 C1 C2 114.2(4) . . ?
O1 C1 C2 114.3(4) . . ?
C31 P1 C21 105.83(19) . . ?
C31 P1 C11 106.0(2) . . ?
C21 P1 C11 104.28(19) . . ?
C31 P1 Pd1 118.90(14) . . ?
C21 P1 Pd1 109.37(14) . . ?
C11 P1 Pd1 111.41(14) . . ?
C41 P2 C61 104.6(2) . . ?
C41 P2 C51 104.18(19) . . ?
C61 P2 C51 104.93(18) . . ?
C41 P2 Pd2 111.50(14) . . ?
C61 P2 Pd2 109.61(14) . . ?
C51 P2 Pd2 120.69(14) . . ?
C12 Pd2 O4 177.60(13) . . ?
C12 Pd2 O2 92.67(15) . . ?
O4 Pd2 O2 85.74(12) . . ?
C12 Pd2 P2 86.76(12) . . ?
O4 Pd2 P2 94.53(9) . . ?
O2 Pd2 P2 170.95(8) . . ?
C12 Pd2 Pd1 95.12(11) . . ?
O4 Pd2 Pd1 82.93(8) . . ?
O2 Pd2 Pd1 83.70(8) . . ?
P2 Pd2 Pd1 87.35(3) . . ?
C1 O2 Pd2 118.9(3) . . ?
F2 C2 F3 109.9(7) . . ?
F2 C2 F1 100.6(6) . . ?
F3 C2 F1 100.1(6) . . ?
F2 C2 C1 117.7(5) . . ?
F3 C2 C1 115.2(5) . . ?
F1 C2 C1 111.0(6) . . ?
C3 O3 Pd1 119.5(3) . . ?
O3 C3 O4 130.2(4) . . ?
O3 C3 C4 116.5(4) . . ?
O4 C3 C4 113.3(4) . . ?
F4 C4 F5 106.0(5) . . ?
F4 C4 F6 105.5(5) . . ?
F5 C4 F6 106.7(5) . . ?
F4 C4 C3 111.0(5) . . ?
F5 C4 C3 113.3(4) . . ?
F6 C4 C3 113.8(4) . . ?
C3 O4 Pd2 120.7(3) . . ?
C16 C11 C12 119.0(4) . . ?
C16 C11 P1 119.0(3) . . ?
C12 C11 P1 121.6(3) . . ?
C13 C12 C11 118.0(4) . . ?
C13 C12 Pd2 119.1(3) . . ?
C11 C12 Pd2 122.8(3) . . ?
C14 C13 C12 121.7(4) . . ?
C13 C14 C15 120.5(4) . . ?
C16 C15 C14 119.0(5) . . ?
C15 C16 C11 121.6(4) . . ?
C22 C21 C26 117.5(4) . . ?
C22 C21 P1 122.5(3) . . ?
C26 C21 P1 119.9(3) . . ?
C21 C22 C23 121.0(5) . . ?
C24 C23 C22 120.3(6) . . ?
C25 C24 C23 119.0(5) . . ?
C24 C25 C26 120.9(5) . . ?
C25 C26 C21 121.1(5) . . ?
C32 C31 C36 117.2(5) . . ?
C32 C31 P1 122.4(4) . . ?
C36 C31 P1 119.9(3) . . ?
C31 C32 C33 121.3(6) . . ?
C34 C33 C32 118.7(7) . . ?
C35 C34 C33 120.5(6) . . ?
C34 C35 C36 119.8(5) . . ?
C31 C36 C35 122.4(5) . . ?
C42 C41 C46 119.1(4) . . ?
C42 C41 P2 122.1(3) . . ?
C46 C41 P2 118.6(3) . . ?
C43 C42 C41 119.0(4) . . ?
C43 C42 Pd1 118.4(3) . . ?
C41 C42 Pd1 122.6(3) . . ?
C44 C43 C42 121.1(4) . . ?
C43 C44 C45 120.2(4) . . ?
C46 C45 C44 119.6(4) . . ?
C45 C46 C41 121.0(4) . . ?
C56 C51 C52 117.0(4) . . ?
C56 C51 P2 122.3(4) . . ?
C52 C51 P2 120.6(3) . . ?
C51 C52 C53 122.6(5) . . ?
C54 C53 C52 119.8(5) . . ?
C55 C54 C53 119.6(5) . . ?
C54 C55 C56 121.0(6) . . ?
C51 C56 C55 120.0(5) . . ?
C62 C61 C66 118.0(4) . . ?
C62 C61 P2 123.1(3) . . ?
C66 C61 P2 118.9(3) . . ?
C63 C62 C61 121.1(5) . . ?
C64 C63 C62 120.5(5) . . ?
C63 C64 C65 120.1(5) . . ?
C64 C65 C66 119.4(5) . . ?
C65 C66 C61 120.7(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 C42 1.982(4) . ?
Pd1 O1 2.158(3) . ?
Pd1 O3 2.170(3) . ?
Pd1 P1 2.2273(12) . ?
Pd1 Pd2 2.7229(8) . ?
O1 C1 1.245(5) . ?
C1 O2 1.237(5) . ?
C1 C2 1.516(6) . ?
F1 C2 1.285(8) . ?
P1 C31 1.819(4) . ?
P1 C21 1.823(4) . ?
P1 C11 1.825(4) . ?
P2 C41 1.821(4) . ?
P2 C61 1.826(4) . ?
P2 C51 1.831(4) . ?
P2 Pd2 2.2269(12) . ?
Pd2 C12 1.980(4) . ?
Pd2 O4 2.163(3) . ?
Pd2 O2 2.164(3) . ?
C2 F2 1.192(6) . ?
C2 F3 1.254(6) . ?
O3 C3 1.238(5) . ?
C3 O4 1.252(5) . ?
C3 C4 1.522(6) . ?
C4 F4 1.300(6) . ?
C4 F5 1.300(5) . ?
C4 F6 1.315(6) . ?
C11 C16 1.395(6) . ?
C11 C12 1.406(5) . ?
C12 C13 1.392(5) . ?
C13 C14 1.364(6) . ?
C14 C15 1.381(6) . ?
C15 C16 1.369(6) . ?
C21 C22 1.375(6) . ?
C21 C26 1.384(6) . ?
C22 C23 1.388(7) . ?
C23 C24 1.370(8) . ?
C24 C25 1.361(7) . ?
C25 C26 1.373(6) . ?
C31 C32 1.351(7) . ?
C31 C36 1.364(6) . ?
C32 C33 1.401(9) . ?
C33 C34 1.369(10) . ?
C34 C35 1.326(8) . ?
C35 C36 1.370(7) . ?
C41 C42 1.400(5) . ?
C41 C46 1.401(6) . ?
C42 C43 1.392(5) . ?
C43 C44 1.370(6) . ?
C44 C45 1.390(6) . ?
C45 C46 1.370(6) . ?
C51 C56 1.345(6) . ?
C51 C52 1.366(6) . ?
C52 C53 1.368(6) . ?
C53 C54 1.335(7) . ?
C54 C55 1.328(8) . ?
C55 C56 1.409(8) . ?
C61 C62 1.384(6) . ?
C61 C66 1.390(6) . ?
C62 C63 1.366(6) . ?
C63 C64 1.362(7) . ?
C64 C65 1.381(8) . ?
C65 C66 1.384(6) . ?
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
C42 Pd1 O1 C1 59(3) . . . . ?
O3 Pd1 O1 C1 98.0(3) . . . . ?
P1 Pd1 O1 C1 -72.9(3) . . . . ?
Pd2 Pd1 O1 C1 13.8(3) . . . . ?
Pd1 O1 C1 O2 -6.4(7) . . . . ?
Pd1 O1 C1 C2 174.4(4) . . . . ?
C42 Pd1 P1 C31 39.4(2) . . . . ?
O1 Pd1 P1 C31 -142.71(19) . . . . ?
O3 Pd1 P1 C31 119.8(5) . . . . ?
Pd2 Pd1 P1 C31 134.68(17) . . . . ?
C42 Pd1 P1 C21 160.97(18) . . . . ?
O1 Pd1 P1 C21 -21.10(17) . . . . ?
O3 Pd1 P1 C21 -118.5(5) . . . . ?
Pd2 Pd1 P1 C21 -103.71(15) . . . . ?
C42 Pd1 P1 C11 -84.28(18) . . . . ?
O1 Pd1 P1 C11 93.65(16) . . . . ?
O3 Pd1 P1 C11 -3.8(6) . . . . ?
Pd2 Pd1 P1 C11 11.04(15) . . . . ?
C41 P2 Pd2 C12 -84.69(18) . . . . ?
C61 P2 Pd2 C12 159.96(18) . . . . ?
C51 P2 Pd2 C12 38.0(2) . . . . ?
C41 P2 Pd2 O4 93.28(17) . . . . ?
C61 P2 Pd2 O4 -22.07(16) . . . . ?
C51 P2 Pd2 O4 -144.04(18) . . . . ?
C41 P2 Pd2 O2 1.9(6) . . . . ?
C61 P2 Pd2 O2 -113.5(6) . . . . ?
C51 P2 Pd2 O2 124.6(6) . . . . ?
C41 P2 Pd2 Pd1 10.59(15) . . . . ?
C61 P2 Pd2 Pd1 -104.76(14) . . . . ?
C51 P2 Pd2 Pd1 133.27(16) . . . . ?
C42 Pd1 Pd2 C12 78.09(16) . . . . ?
O1 Pd1 Pd2 C12 -103.88(14) . . . . ?
O3 Pd1 Pd2 C12 169.86(13) . . . . ?
P1 Pd1 Pd2 C12 -7.79(12) . . . . ?
C42 Pd1 Pd2 O4 -103.32(13) . . . . ?
O1 Pd1 Pd2 O4 74.72(12) . . . . ?
O3 Pd1 Pd2 O4 -11.55(11) . . . . ?
P1 Pd1 Pd2 O4 170.80(8) . . . . ?
C42 Pd1 Pd2 O2 170.21(14) . . . . ?
O1 Pd1 Pd2 O2 -11.75(12) . . . . ?
O3 Pd1 Pd2 O2 -98.01(12) . . . . ?
P1 Pd1 Pd2 O2 84.34(9) . . . . ?
C42 Pd1 Pd2 P2 -8.42(11) . . . . ?
O1 Pd1 Pd2 P2 169.62(8) . . . . ?
O3 Pd1 Pd2 P2 83.36(8) . . . . ?
P1 Pd1 Pd2 P2 -94.29(4) . . . . ?
O1 C1 O2 Pd2 -9.8(7) . . . . ?
C2 C1 O2 Pd2 169.4(4) . . . . ?
C12 Pd2 O2 C1 110.1(3) . . . . ?
O4 Pd2 O2 C1 -68.1(3) . . . . ?
P2 Pd2 O2 C1 23.9(8) . . . . ?
Pd1 Pd2 O2 C1 15.2(3) . . . . ?
O2 C1 C2 F2 10.4(10) . . . . ?
O1 C1 C2 F2 -170.2(8) . . . . ?
O2 C1 C2 F3 142.6(6) . . . . ?
O1 C1 C2 F3 -38.1(8) . . . . ?
O2 C1 C2 F1 -104.6(7) . . . . ?
O1 C1 C2 F1 74.7(7) . . . . ?
C42 Pd1 O3 C3 110.5(3) . . . . ?
O1 Pd1 O3 C3 -67.7(3) . . . . ?
P1 Pd1 O3 C3 30.6(7) . . . . ?
Pd2 Pd1 O3 C3 15.6(3) . . . . ?
Pd1 O3 C3 O4 -11.0(6) . . . . ?
Pd1 O3 C3 C4 168.9(3) . . . . ?
O3 C3 C4 F4 -115.5(5) . . . . ?
O4 C3 C4 F4 64.4(6) . . . . ?
O3 C3 C4 F5 125.4(5) . . . . ?
O4 C3 C4 F5 -54.7(6) . . . . ?
O3 C3 C4 F6 3.3(7) . . . . ?
O4 C3 C4 F6 -176.8(4) . . . . ?
O3 C3 O4 Pd2 -5.0(6) . . . . ?
C4 C3 O4 Pd2 175.1(3) . . . . ?
C12 Pd2 O4 C3 49(3) . . . . ?
O2 Pd2 O4 C3 97.4(3) . . . . ?
P2 Pd2 O4 C3 -73.6(3) . . . . ?
Pd1 Pd2 O4 C3 13.2(3) . . . . ?
C31 P1 C11 C16 42.7(4) . . . . ?
C21 P1 C11 C16 -68.8(4) . . . . ?
Pd1 P1 C11 C16 173.4(3) . . . . ?
C31 P1 C11 C12 -144.0(3) . . . . ?
C21 P1 C11 C12 104.5(3) . . . . ?
Pd1 P1 C11 C12 -13.3(4) . . . . ?
C16 C11 C12 C13 3.1(6) . . . . ?
P1 C11 C12 C13 -170.2(3) . . . . ?
C16 C11 C12 Pd2 179.2(3) . . . . ?
P1 C11 C12 Pd2 5.9(5) . . . . ?
O4 Pd2 C12 C13 143(3) . . . . ?
O2 Pd2 C12 C13 95.0(3) . . . . ?
P2 Pd2 C12 C13 -94.0(3) . . . . ?
Pd1 Pd2 C12 C13 179.0(3) . . . . ?
O4 Pd2 C12 C11 -33(4) . . . . ?
O2 Pd2 C12 C11 -81.0(3) . . . . ?
P2 Pd2 C12 C11 89.9(3) . . . . ?
Pd1 Pd2 C12 C11 2.9(3) . . . . ?
C11 C12 C13 C14 -1.3(7) . . . . ?
Pd2 C12 C13 C14 -177.6(4) . . . . ?
C12 C13 C14 C15 -1.8(7) . . . . ?
C13 C14 C15 C16 3.0(7) . . . . ?
C14 C15 C16 C11 -1.2(7) . . . . ?
C12 C11 C16 C15 -1.9(7) . . . . ?
P1 C11 C16 C15 171.6(4) . . . . ?
C31 P1 C21 C22 -111.9(4) . . . . ?
C11 P1 C21 C22 -0.4(5) . . . . ?
Pd1 P1 C21 C22 118.9(4) . . . . ?
C31 P1 C21 C26 71.7(4) . . . . ?
C11 P1 C21 C26 -176.7(4) . . . . ?
Pd1 P1 C21 C26 -57.5(4) . . . . ?
C26 C21 C22 C23 -2.5(8) . . . . ?
P1 C21 C22 C23 -178.9(5) . . . . ?
C21 C22 C23 C24 -1.1(11) . . . . ?
C22 C23 C24 C25 3.1(11) . . . . ?
C23 C24 C25 C26 -1.6(9) . . . . ?
C24 C25 C26 C21 -2.1(8) . . . . ?
C22 C21 C26 C25 4.0(7) . . . . ?
P1 C21 C26 C25 -179.5(4) . . . . ?
C21 P1 C31 C32 -38.2(6) . . . . ?
C11 P1 C31 C32 -148.5(5) . . . . ?
Pd1 P1 C31 C32 85.2(5) . . . . ?
C21 P1 C31 C36 149.9(4) . . . . ?
C11 P1 C31 C36 39.5(4) . . . . ?
Pd1 P1 C31 C36 -86.8(4) . . . . ?
C36 C31 C32 C33 -2.3(12) . . . . ?
P1 C31 C32 C33 -174.4(8) . . . . ?
C31 C32 C33 C34 -0.2(17) . . . . ?
C32 C33 C34 C35 2.5(16) . . . . ?
C33 C34 C35 C36 -2.2(12) . . . . ?
C32 C31 C36 C35 2.7(8) . . . . ?
P1 C31 C36 C35 175.0(4) . . . . ?
C34 C35 C36 C31 -0.5(9) . . . . ?
C61 P2 C41 C42 107.1(3) . . . . ?
C51 P2 C41 C42 -143.0(3) . . . . ?
Pd2 P2 C41 C42 -11.3(4) . . . . ?
C61 P2 C41 C46 -67.4(4) . . . . ?
C51 P2 C41 C46 42.5(4) . . . . ?
Pd2 P2 C41 C46 174.3(3) . . . . ?
C46 C41 C42 C43 0.8(6) . . . . ?
P2 C41 C42 C43 -173.6(3) . . . . ?
C46 C41 C42 Pd1 177.3(3) . . . . ?
P2 C41 C42 Pd1 2.9(5) . . . . ?
O1 Pd1 C42 C43 137(3) . . . . ?
O3 Pd1 C42 C43 97.7(3) . . . . ?
P1 Pd1 C42 C43 -91.3(3) . . . . ?
Pd2 Pd1 C42 C43 -178.4(3) . . . . ?
O1 Pd1 C42 C41 -40(3) . . . . ?
O3 Pd1 C42 C41 -78.8(3) . . . . ?
P1 Pd1 C42 C41 92.2(3) . . . . ?
Pd2 Pd1 C42 C41 5.1(3) . . . . ?
C41 C42 C43 C44 0.6(6) . . . . ?
Pd1 C42 C43 C44 -176.0(3) . . . . ?
C42 C43 C44 C45 -1.5(7) . . . . ?
C43 C44 C45 C46 0.9(8) . . . . ?
C44 C45 C46 C41 0.6(8) . . . . ?
C42 C41 C46 C45 -1.4(7) . . . . ?
P2 C41 C46 C45 173.2(4) . . . . ?
C41 P2 C51 C56 -143.1(5) . . . . ?
C61 P2 C51 C56 -33.4(6) . . . . ?
Pd2 P2 C51 C56 90.8(5) . . . . ?
C41 P2 C51 C52 39.7(4) . . . . ?
C61 P2 C51 C52 149.3(4) . . . . ?
Pd2 P2 C51 C52 -86.4(4) . . . . ?
C56 C51 C52 C53 2.3(8) . . . . ?
P2 C51 C52 C53 179.7(4) . . . . ?
C51 C52 C53 C54 -0.5(9) . . . . ?
C52 C53 C54 C55 -2.3(11) . . . . ?
C53 C54 C55 C56 3.2(14) . . . . ?
C52 C51 C56 C55 -1.4(11) . . . . ?
P2 C51 C56 C55 -178.7(7) . . . . ?
C54 C55 C56 C51 -1.3(14) . . . . ?
C41 P2 C61 C62 3.0(4) . . . . ?
C51 P2 C61 C62 -106.3(4) . . . . ?
Pd2 P2 C61 C62 122.7(3) . . . . ?
C41 P2 C61 C66 -177.2(3) . . . . ?
C51 P2 C61 C66 73.4(4) . . . . ?
Pd2 P2 C61 C66 -57.6(4) . . . . ?
C66 C61 C62 C63 -3.9(7) . . . . ?
P2 C61 C62 C63 175.9(4) . . . . ?
C61 C62 C63 C64 0.8(8) . . . . ?
C62 C63 C64 C65 2.0(9) . . . . ?
C63 C64 C65 C66 -1.6(9) . . . . ?
C64 C65 C66 C61 -1.6(8) . . . . ?
C62 C61 C66 C65 4.3(7) . . . . ?
P2 C61 C66 C65 -175.5(4) . . . . ?
