#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:54:30 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179905 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/01/7020112.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_7020112
loop_
_publ_author_name
'Warren, Mark R.'
'Brayshaw, Simon K.'
'Hatcher, Lauren E.'
'Johnson, Andrew L.'
'Schiffers, Stefanie'
'Warren, Anna J.'
'Teat, Simon J.'
'Warren, John E.'
'Woodall, Christopher H.'
'Raithby, Paul R.'
_publ_section_title
;
 Photoactivated linkage isomerism in single crystals of nickel, palladium
 and platinum di-nitro complexes - a photocrystallographic investigation.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13173
_journal_page_last               13179
_journal_paper_doi               10.1039/c2dt30314k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C36 H30 As2 N2 O4 Pd'
_chemical_formula_sum            'C36 H30 As2 N2 O4 Pd'
_chemical_formula_weight         810.86
_chemical_name_common
;
bis-(Triphenylarsine)dinitro-palladium(II)
;
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.262(1)
_cell_angle_beta                 90.931(1)
_cell_angle_gamma                114.454(1)
_cell_formula_units_Z            1
_cell_length_a                   9.5967(9)
_cell_length_b                   9.9479(9)
_cell_length_c                   10.1121(9)
_cell_measurement_reflns_used    6896
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.59
_cell_measurement_theta_min      4.02
_cell_volume                     803.05(13)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'Silicon 111'
_diffrn_radiation_source         'Beamline 13.3.1, ALS'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.77490
_diffrn_reflns_av_R_equivalents  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0604
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11526
_diffrn_reflns_theta_full        33.65
_diffrn_reflns_theta_max         33.65
_diffrn_reflns_theta_min         4.03
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.234
_exptl_absorpt_correction_T_max  0.9684
_exptl_absorpt_correction_T_min  0.8550
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 -
Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.677
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             404
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.566
_refine_diff_density_min         -0.781
_refine_diff_density_rms         0.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     237
_refine_ls_number_reflns         4795
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0397
_refine_ls_R_factor_gt           0.0366
_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)+(0.0557P)²+0.1223P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1032
_refine_ls_wR_factor_ref         0.1061
_reflns_number_gt                4301
_reflns_number_total             4795
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30314k.txt
_cod_data_source_block           3#O_es
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7020112
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.5000 0.5000 0.5000 0.02180(8) Uani 1 2 d S . .
As1 As 0.52110(2) 0.73229(2) 0.70973(2) 0.02080(8) Uani 1 1 d . A .
O1 O 0.7114(8) 0.6695(9) 0.3586(8) 0.0448(13) Uani 0.600(3) 1 d P A 1
O2 O 0.8247(8) 0.6933(7) 0.5462(7) 0.0387(15) Uani 0.600(3) 1 d P A 1
N1 N 0.7024(4) 0.6422(4) 0.4633(4) 0.0292(8) Uani 0.600(3) 1 d P A 1
C1 C 0.5908(2) 0.9390(2) 0.6949(2) 0.0226(4) Uani 1 1 d . . .
C2 C 0.7361(3) 1.0083(3) 0.6589(2) 0.0279(4) Uani 1 1 d . A .
H2 H 0.8023 0.9571 0.6454 0.033 Uiso 1 1 calc R . .
C3 C 0.7830(3) 1.1536(3) 0.6431(3) 0.0322(5) Uani 1 1 d . . .
H3 H 0.8819 1.2020 0.6195 0.039 Uiso 1 1 calc R A .
C4 C 0.6851(3) 1.2274(3) 0.6618(3) 0.0324(5) Uani 1 1 d . A .
H4 H 0.7174 1.3261 0.6507 0.039 Uiso 1 1 calc R . .
C5 C 0.5409(3) 1.1579(3) 0.6965(2) 0.0296(5) Uani 1 1 d . . .
H5 H 0.4742 1.2085 0.7082 0.036 Uiso 1 1 calc R A .
C6 C 0.4935(3) 1.0139(3) 0.7142(2) 0.0257(4) Uani 1 1 d . A .
H6 H 0.3952 0.9669 0.7394 0.031 Uiso 1 1 calc R . .
C7 C 0.6554(2) 0.7720(3) 0.8777(2) 0.0226(4) Uani 1 1 d . . .
C8 C 0.7625(3) 0.9277(3) 0.9723(2) 0.0264(4) Uani 1 1 d . A .
H8 H 0.7766 1.0177 0.9515 0.032 Uiso 1 1 calc R . .
C9 C 0.8489(3) 0.9505(3) 1.0980(3) 0.0300(5) Uani 1 1 d . . .
H9 H 0.9230 1.0562 1.1619 0.036 Uiso 1 1 calc R A .
C10 C 0.8268(3) 0.8196(3) 1.1295(3) 0.0310(5) Uani 1 1 d . A .
H10 H 0.8844 0.8357 1.2157 0.037 Uiso 1 1 calc R . .
C11 C 0.7200(3) 0.6645(3) 1.0346(3) 0.0319(5) Uani 1 1 d . . .
H11 H 0.7046 0.5749 1.0567 0.038 Uiso 1 1 calc R A .
C12 C 0.6358(3) 0.6398(3) 0.9081(3) 0.0286(4) Uani 1 1 d . A .
H12 H 0.5652 0.5334 0.8424 0.034 Uiso 1 1 calc R . .
C13 C 0.3241(2) 0.6945(2) 0.7724(2) 0.0216(4) Uani 1 1 d . . .
C14 C 0.3066(3) 0.6999(3) 0.9102(2) 0.0239(4) Uani 1 1 d . A .
H14 H 0.3944 0.7293 0.9785 0.029 Uiso 1 1 calc R . .
C15 C 0.1608(3) 0.6622(3) 0.9482(3) 0.0289(4) Uani 1 1 d . . .
H15 H 0.1489 0.6649 1.0421 0.035 Uiso 1 1 calc R A .
C16 C 0.0331(3) 0.6208(3) 0.8494(3) 0.0320(5) Uani 1 1 d . A .
H16 H -0.0667 0.5940 0.8751 0.038 Uiso 1 1 calc R . .
C17 C 0.0508(3) 0.6185(3) 0.7124(3) 0.0316(5) Uani 1 1 d . . .
H17 H -0.0364 0.5930 0.6457 0.038 Uiso 1 1 calc R A .
C18 C 0.1946(3) 0.6529(3) 0.6731(2) 0.0271(4) Uani 1 1 d . A .
H18 H 0.2056 0.6484 0.5786 0.033 Uiso 1 1 calc R . .
O1A O 0.6241(14) 0.618(2) 0.3940(18) 0.0226(10) Uiso 0.124(5) 1 d PD A 3
N1A N 0.7790(15) 0.709(2) 0.4303(19) 0.0226(10) Uiso 0.124(5) 1 d PD A 3
O2A O 0.832(3) 0.719(4) 0.559(3) 0.0226(10) Uiso 0.124(5) 1 d PD A 3
O1B O 0.7336(11) 0.6244(10) 0.5353(9) 0.0226(10) Uiso 0.192(4) 1 d PD A 2
N1B N 0.7986(11) 0.6844(13) 0.4399(11) 0.0226(10) Uiso 0.192(4) 1 d PD A 2
O2B O 0.692(2) 0.685(2) 0.3561(19) 0.0226(10) Uiso 0.192(4) 1 d PD A 2
O1C O 0.635(2) 0.641(3) 0.380(3) 0.0226(10) Uiso 0.085(3) 1 d PD A 4
O2C O 0.8901(17) 0.767(2) 0.4276(19) 0.0226(10) Uiso 0.085(3) 1 d PD A 4
N1C N 0.763(2) 0.682(3) 0.471(2) 0.0226(10) Uiso 0.085(3) 1 d PD A 4
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0040 0.0020 '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'
N N 0.0076 0.0040 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0133 0.0073 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.7856 1.1793 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As -0.1496 2.3280 '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
O1A Pd1 O1A 180.000(3) 2_666 .
O1A Pd1 O1B 128.1(4) 2_666 .
O1A Pd1 O1B 51.9(4) . .
O1A Pd1 O1B 51.9(4) 2_666 2_666
O1A Pd1 O1B 128.1(4) . 2_666
O1B Pd1 O1B 180.000(1) . 2_666
O1A Pd1 N1 26.6(4) 2_666 2_666
O1A Pd1 N1 153.4(4) . 2_666
O1B Pd1 N1 154.6(2) . 2_666
O1B Pd1 N1 25.4(2) 2_666 2_666
O1A Pd1 N1 153.4(4) 2_666 .
O1A Pd1 N1 26.6(4) . .
O1B Pd1 N1 25.4(2) . .
O1B Pd1 N1 154.6(2) 2_666 .
N1 Pd1 N1 180.00(17) 2_666 .
O1A Pd1 O1C 2.8(10) 2_666 2_666
O1A Pd1 O1C 177.2(10) . 2_666
O1B Pd1 O1C 126.4(6) . 2_666
O1B Pd1 O1C 53.6(6) 2_666 2_666
N1 Pd1 O1C 28.2(5) 2_666 2_666
N1 Pd1 O1C 151.8(5) . 2_666
O1A Pd1 O1C 177.2(10) 2_666 .
O1A Pd1 O1C 2.8(10) . .
O1B Pd1 O1C 53.6(6) . .
O1B Pd1 O1C 126.4(6) 2_666 .
N1 Pd1 O1C 151.8(5) 2_666 .
N1 Pd1 O1C 28.2(5) . .
O1C Pd1 O1C 180.000(4) 2_666 .
O1A Pd1 As1 82.7(5) 2_666 .
O1A Pd1 As1 97.3(5) . .
O1B Pd1 As1 84.2(2) . .
O1B Pd1 As1 95.8(2) 2_666 .
N1 Pd1 As1 90.65(10) 2_666 .
N1 Pd1 As1 89.35(10) . .
O1C Pd1 As1 84.5(7) 2_666 .
O1C Pd1 As1 95.5(7) . .
O1A Pd1 As1 97.3(5) 2_666 2_666
O1A Pd1 As1 82.7(5) . 2_666
O1B Pd1 As1 95.8(2) . 2_666
O1B Pd1 As1 84.2(2) 2_666 2_666
N1 Pd1 As1 89.35(10) 2_666 2_666
N1 Pd1 As1 90.65(10) . 2_666
O1C Pd1 As1 95.5(7) 2_666 2_666
O1C Pd1 As1 84.5(7) . 2_666
As1 Pd1 As1 180.0 . 2_666
O1A Pd1 N1C 149.5(7) 2_666 .
O1A Pd1 N1C 30.5(7) . .
O1B Pd1 N1C 21.6(6) . .
O1B Pd1 N1C 158.4(6) 2_666 .
N1 Pd1 N1C 176.0(5) 2_666 .
N1 Pd1 N1C 4.0(5) . .
O1C Pd1 N1C 147.9(3) 2_666 .
O1C Pd1 N1C 32.1(3) . .
As1 Pd1 N1C 87.4(7) . .
As1 Pd1 N1C 92.6(7) 2_666 .
O1A Pd1 N1C 30.5(7) 2_666 2_666
O1A Pd1 N1C 149.5(7) . 2_666
O1B Pd1 N1C 158.4(6) . 2_666
O1B Pd1 N1C 21.6(6) 2_666 2_666
N1 Pd1 N1C 4.0(5) 2_666 2_666
N1 Pd1 N1C 176.0(5) . 2_666
O1C Pd1 N1C 32.1(3) 2_666 2_666
O1C Pd1 N1C 147.9(3) . 2_666
As1 Pd1 N1C 92.6(7) . 2_666
As1 Pd1 N1C 87.4(7) 2_666 2_666
N1C Pd1 N1C 180.000(2) . 2_666
C7 As1 C13 102.70(9) . .
C7 As1 C1 106.20(9) . .
C13 As1 C1 104.20(9) . .
C7 As1 Pd1 111.65(6) . .
C13 As1 Pd1 111.88(6) . .
C1 As1 Pd1 118.75(6) . .
O1 N1 O2 117.4(7) . .
O1 N1 Pd1 122.9(5) . .
O2 N1 Pd1 119.5(4) . .
C6 C1 C2 120.3(2) . .
C6 C1 As1 120.03(16) . .
C2 C1 As1 119.59(17) . .
C3 C2 C1 119.4(2) . .
C3 C2 H2 120.3 . .
C1 C2 H2 120.3 . .
C4 C3 C2 120.1(2) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C5 C4 C3 120.4(2) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C4 C5 C6 120.0(2) . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
C1 C6 C5 119.8(2) . .
C1 C6 H6 120.1 . .
C5 C6 H6 120.1 . .
C8 C7 C12 120.0(2) . .
C8 C7 As1 122.04(16) . .
C12 C7 As1 117.82(17) . .
C7 C8 C9 119.7(2) . .
C7 C8 H8 120.2 . .
C9 C8 H8 120.2 . .
C10 C9 C8 120.2(2) . .
C10 C9 H9 119.9 . .
C8 C9 H9 119.9 . .
C9 C10 C11 119.9(2) . .
C9 C10 H10 120.0 . .
C11 C10 H10 120.0 . .
C12 C11 C10 120.5(2) . .
C12 C11 H11 119.8 . .
C10 C11 H11 119.8 . .
C11 C12 C7 119.7(2) . .
C11 C12 H12 120.2 . .
C7 C12 H12 120.2 . .
C14 C13 C18 119.6(2) . .
C14 C13 As1 121.83(16) . .
C18 C13 As1 118.54(16) . .
C15 C14 C13 120.1(2) . .
C15 C14 H14 119.9 . .
C13 C14 H14 119.9 . .
C16 C15 C14 120.1(2) . .
C16 C15 H15 120.0 . .
C14 C15 H15 120.0 . .
C15 C16 C17 120.0(2) . .
C15 C16 H16 120.0 . .
C17 C16 H16 120.0 . .
C18 C17 C16 120.3(2) . .
C18 C17 H17 119.9 . .
C16 C17 H17 119.9 . .
C17 C18 C13 120.0(2) . .
C17 C18 H18 120.0 . .
C13 C18 H18 120.0 . .
N1A O1A Pd1 125.0(11) . .
O1A N1A O2A 109.5(13) . .
N1B O1B Pd1 118.9(7) . .
O2B N1B O1B 110.1(11) . .
N1C O1C Pd1 86.8(13) . .
O1C N1C O2C 108.5(13) . .
O1C N1C Pd1 61.1(12) . .
O2C N1C Pd1 168.5(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 O1A 1.936(14) 2_666
Pd1 O1A 1.936(14) .
Pd1 O1B 2.010(9) .
Pd1 O1B 2.010(9) 2_666
Pd1 N1 2.010(4) 2_666
Pd1 N1 2.010(4) .
Pd1 O1C 2.21(3) 2_666
Pd1 O1C 2.21(3) .
Pd1 As1 2.4337(3) .
Pd1 As1 2.4337(3) 2_666
Pd1 N1C 2.520(17) .
Pd1 N1C 2.520(17) 2_666
As1 C7 1.929(2) .
As1 C13 1.934(2) .
As1 C1 1.946(2) .
O1 N1 1.181(8) .
O2 N1 1.225(7) .
C1 C6 1.393(3) .
C1 C2 1.397(3) .
C2 C3 1.396(3) .
C2 H2 0.9500 .
C3 C4 1.391(4) .
C3 H3 0.9500 .
C4 C5 1.384(4) .
C4 H4 0.9500 .
C5 C6 1.393(3) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.395(3) .
C7 C12 1.397(3) .
C8 C9 1.398(3) .
C8 H8 0.9500 .
C9 C10 1.385(3) .
C9 H9 0.9500 .
C10 C11 1.392(4) .
C10 H10 0.9500 .
C11 C12 1.387(3) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.391(3) .
C13 C18 1.399(3) .
C14 C15 1.390(3) .
C14 H14 0.9500 .
C15 C16 1.384(3) .
C15 H15 0.9500 .
C16 C17 1.391(4) .
C16 H16 0.9500 .
C17 C18 1.380(3) .
C17 H17 0.9500 .
C18 H18 0.9500 .
O1A N1A 1.338(9) .
N1A O2A 1.343(9) .
O1B N1B 1.344(8) .
N1B O2B 1.321(8) .
O1C N1C 1.342(10) .
O2C N1C 1.355(10) .
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
O1A Pd1 As1 C7 72.2(4) 2_666
O1A Pd1 As1 C7 -107.8(4) .
O1B Pd1 As1 C7 -57.4(2) .
O1B Pd1 As1 C7 122.6(2) 2_666
N1 Pd1 As1 C7 97.67(13) 2_666
N1 Pd1 As1 C7 -82.33(13) .
O1C Pd1 As1 C7 70.1(5) 2_666
O1C Pd1 As1 C7 -109.9(5) .
As1 Pd1 As1 C7 -170(92) 2_666
N1C Pd1 As1 C7 -78.8(5) .
N1C Pd1 As1 C7 101.2(5) 2_666
O1A Pd1 As1 C13 -42.2(4) 2_666
O1A Pd1 As1 C13 137.8(4) .
O1B Pd1 As1 C13 -171.9(2) .
O1B Pd1 As1 C13 8.1(2) 2_666
N1 Pd1 As1 C13 -16.81(13) 2_666
N1 Pd1 As1 C13 163.19(13) .
O1C Pd1 As1 C13 -44.4(5) 2_666
O1C Pd1 As1 C13 135.6(5) .
As1 Pd1 As1 C13 76(92) 2_666
N1C Pd1 As1 C13 166.7(5) .
N1C Pd1 As1 C13 -13.3(5) 2_666
O1A Pd1 As1 C1 -163.7(4) 2_666
O1A Pd1 As1 C1 16.3(4) .
O1B Pd1 As1 C1 66.7(2) .
O1B Pd1 As1 C1 -113.3(2) 2_666
N1 Pd1 As1 C1 -138.27(13) 2_666
N1 Pd1 As1 C1 41.73(13) .
O1C Pd1 As1 C1 -165.9(5) 2_666
O1C Pd1 As1 C1 14.1(5) .
As1 Pd1 As1 C1 -46(92) 2_666
N1C Pd1 As1 C1 45.3(5) .
N1C Pd1 As1 C1 -134.7(5) 2_666
O1A Pd1 N1 O1 172.2(13) 2_666
O1A Pd1 N1 O1 -7.8(13) .
O1B Pd1 N1 O1 166.6(8) .
O1B Pd1 N1 O1 -13.4(8) 2_666
N1 Pd1 N1 O1 -13(100) 2_666
O1C Pd1 N1 O1 167.4(16) 2_666
O1C Pd1 N1 O1 -12.6(16) .
As1 Pd1 N1 O1 -115.6(4) .
As1 Pd1 N1 O1 64.4(4) 2_666
N1C Pd1 N1 O1 -177(10) .
N1C Pd1 N1 O1 3(10) 2_666
O1A Pd1 N1 O2 -1.9(13) 2_666
O1A Pd1 N1 O2 178.1(13) .
O1B Pd1 N1 O2 -7.4(7) .
O1B Pd1 N1 O2 172.6(7) 2_666
N1 Pd1 N1 O2 173(100) 2_666
O1C Pd1 N1 O2 -6.7(17) 2_666
O1C Pd1 N1 O2 173.3(17) .
As1 Pd1 N1 O2 70.4(4) .
As1 Pd1 N1 O2 -109.6(4) 2_666
N1C Pd1 N1 O2 9(10) .
N1C Pd1 N1 O2 -171(10) 2_666
C7 As1 C1 C6 -114.09(17) .
C13 As1 C1 C6 -6.05(19) .
Pd1 As1 C1 C6 119.22(16) .
C7 As1 C1 C2 68.52(18) .
C13 As1 C1 C2 176.56(16) .
Pd1 As1 C1 C2 -58.18(18) .
C6 C1 C2 C3 0.2(3) .
As1 C1 C2 C3 177.60(17) .
C1 C2 C3 C4 -0.5(3) .
C2 C3 C4 C5 0.1(3) .
C3 C4 C5 C6 0.6(3) .
C2 C1 C6 C5 0.5(3) .
As1 C1 C6 C5 -176.86(16) .
C4 C5 C6 C1 -0.9(3) .
C13 As1 C7 C8 -101.32(19) .
C1 As1 C7 C8 7.8(2) .
Pd1 As1 C7 C8 138.65(17) .
C13 As1 C7 C12 74.61(18) .
C1 As1 C7 C12 -176.28(17) .
Pd1 As1 C7 C12 -45.42(19) .
C12 C7 C8 C9 -0.5(3) .
As1 C7 C8 C9 175.35(17) .
C7 C8 C9 C10 -0.9(4) .
C8 C9 C10 C11 1.0(4) .
C9 C10 C11 C12 0.3(4) .
C10 C11 C12 C7 -1.7(4) .
C8 C7 C12 C11 1.8(3) .
As1 C7 C12 C11 -174.19(18) .
C7 As1 C13 C14 -0.03(19) .
C1 As1 C13 C14 -110.64(18) .
Pd1 As1 C13 C14 119.84(16) .
C7 As1 C13 C18 -176.82(17) .
C1 As1 C13 C18 72.57(18) .
Pd1 As1 C13 C18 -56.95(18) .
C18 C13 C14 C15 0.8(3) .
As1 C13 C14 C15 -176.00(17) .
C13 C14 C15 C16 -0.6(3) .
C14 C15 C16 C17 -0.7(4) .
C15 C16 C17 C18 1.8(4) .
C16 C17 C18 C13 -1.7(4) .
C14 C13 C18 C17 0.4(3) .
As1 C13 C18 C17 177.24(18) .
O1A Pd1 O1A N1A 163(100) 2_666
O1B Pd1 O1A N1A -5.5(14) .
O1B Pd1 O1A N1A 174.5(14) 2_666
N1 Pd1 O1A N1A 177.5(10) 2_666
N1 Pd1 O1A N1A -2.5(10) .
O1C Pd1 O1A N1A -58(21) 2_666
O1C Pd1 O1A N1A 122(21) .
As1 Pd1 O1A N1A 71.2(17) .
As1 Pd1 O1A N1A -108.8(17) 2_666
N1C Pd1 O1A N1A -1.0(19) .
N1C Pd1 O1A N1A 179.0(19) 2_666
Pd1 O1A N1A O2A -6(3) .
O1A Pd1 O1B N1B 173.0(10) 2_666
O1A Pd1 O1B N1B -7.0(10) .
O1B Pd1 O1B N1B -68(100) 2_666
N1 Pd1 O1B N1B 169.9(6) 2_666
N1 Pd1 O1B N1B -10.1(6) .
O1C Pd1 O1B N1B 170.3(11) 2_666
O1C Pd1 O1B N1B -9.7(11) .
As1 Pd1 O1B N1B -110.9(8) .
As1 Pd1 O1B N1B 69.1(8) 2_666
N1C Pd1 O1B N1B -13(2) .
N1C Pd1 O1B N1B 167(2) 2_666
Pd1 O1B N1B O2B 16.0(15) .
O1A Pd1 O1C N1C 127(19) 2_666
O1A Pd1 O1C N1C -53(19) .
O1B Pd1 O1C N1C -2.5(14) .
O1B Pd1 O1C N1C 177.5(14) 2_666
N1 Pd1 O1C N1C 177.9(14) 2_666
N1 Pd1 O1C N1C -2.1(14) .
O1C Pd1 O1C N1C 179(100) 2_666
As1 Pd1 O1C N1C 76.1(17) .
As1 Pd1 O1C N1C -103.9(17) 2_666
N1C Pd1 O1C N1C 180.000(5) 2_666
Pd1 O1C N1C O2C 175(2) .
O1A Pd1 N1C O1C -176(2) 2_666
O1A Pd1 N1C O1C 4(2) .
O1B Pd1 N1C O1C 175(3) .
O1B Pd1 N1C O1C -5(3) 2_666
N1 Pd1 N1C O1C -166(9) 2_666
N1 Pd1 N1C O1C 14(9) .
O1C Pd1 N1C O1C 180.000(4) 2_666
As1 Pd1 N1C O1C -104.7(18) .
As1 Pd1 N1C O1C 75.3(18) 2_666
N1C Pd1 N1C O1C -21(100) 2_666
O1A Pd1 N1C O2C 157(9) 2_666
O1A Pd1 N1C O2C -23(9) .
O1B Pd1 N1C O2C 148(11) .
O1B Pd1 N1C O2C -32(11) 2_666
N1 Pd1 N1C O2C 167(4) 2_666
N1 Pd1 N1C O2C -13(4) .
O1C Pd1 N1C O2C 153(9) 2_666
O1C Pd1 N1C O2C -27(9) .
As1 Pd1 N1C O2C -132(10) .
As1 Pd1 N1C O2C 48(10) 2_666
N1C Pd1 N1C O2C -48(100) 2_666
