#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/16/2011600.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2011600
loop_
_publ_author_name
'O'Keefe, Brendan J.'
'Steel, Peter J.'
_publ_section_title
;
 Cyclometallated compounds. XV. A tetranuclear acetate-bridged
 cyclopalladated molecular box
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1440
_journal_page_last               1441
_journal_paper_doi               10.1107/S0108270100011768
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac
'[Pd4 (C16 H10 N2 O2)2 (C2 H3 O2)4] , 2C H Cl3 , 2H2 O'
_chemical_formula_moiety         'C40 H32 N4 O12 Pd4 , 2C1 H1 Cl3 , 2H2 O'
_chemical_formula_sum            'C42 H38 Cl6 N4 O14 Pd4'
_chemical_formula_weight         1461.06
_chemical_name_systematic
;
tetra-μ-acetato-O:O'-bis{[μ-1,4-bis(2-pyridyloxy)phenylene-N,C²:N',C⁶]
dipalladium(II)} bis(trichloromethane) dihydrate
;
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.797(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.225(5)
_cell_length_b                   15.052(5)
_cell_length_c                   14.135(5)
_cell_measurement_reflns_used    6111
_cell_measurement_temperature    168(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.15
_cell_volume                     2599.7(16)
_computing_cell_refinement       'SAINT (Siemens 1999)'
_computing_data_collection       'SMART (Siemens 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXL97
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      168(2)
_diffrn_detector_area_resol_mean 8.19
_diffrn_measured_fraction_theta_full .991
_diffrn_measured_fraction_theta_max .991
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       'Exposures over 0.5° φ or ω rotation'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .089
_diffrn_reflns_av_sigmaI/netI    .073
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            26967
_diffrn_reflns_theta_full        26.36
_diffrn_reflns_theta_max         26.36
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.735
_exptl_absorpt_correction_T_max  .934
_exptl_absorpt_correction_T_min  .559
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Siemens, 1999)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.861
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1432
_exptl_crystal_size_max          .38
_exptl_crystal_size_mid          .35
_exptl_crystal_size_min          .04
_refine_diff_density_max         .96
_refine_diff_density_min         -.95
_refine_ls_extinction_coef       .0010(3)
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     404
_refine_ls_number_reflns         5261
_refine_ls_number_restraints     145
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          .095
_refine_ls_R_factor_gt           .050
_refine_ls_shift/su_max          .027
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0748P)²+0.2065P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .134
_reflns_number_gt                3476
_reflns_number_total             5261
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            de1153.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2011600
_cod_database_fobs_code          2011600
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_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Pd1 .31144(4) .54255(3) .19048(4) .02685(17) Uani d . 1 . . Pd
Pd2 .80465(4) .49483(3) -.01135(4) .02634(17) Uani d . 1 . . Pd
C1 .5411(6) .5935(4) .1517(5) .0289(15) Uani d . 1 . . C
C2 .4638(5) .5269(4) .1499(5) .0262(15) Uani d . 1 . . C
C3 .4986(6) .4466(4) .1102(4) .0285(15) Uani d . 1 . . C
H3 .4501 .3973 .1079 .034 Uiso calc R 1 . . H
C4 .6020(6) .4377(4) .0746(4) .0248(15) Uani d . 1 . . C
C5 .6764(6) .5074(4) .0677(5) .0282(15) Uani d . 1 . . C
C6 .6432(5) .5865(5) .1103(4) .0285(15) Uani d . 1 . . C
H6 .6909 .6363 .1111 .034 Uiso calc R 1 . . H
O1 .5244(4) .6767(3) .1959(4) .0400(13) Uani d . 1 . . O
N11 .3325(5) .6772(4) .1852(4) .0317(14) Uani d . 1 . . N
C12 .4276(6) .7198(4) .1953(5) .0335(17) Uani d . 1 . . C
C13 .4343(7) .8120(5) .2058(6) .043(2) Uani d . 1 . . C
H13 .5033 .8402 .2153 .052 Uiso calc R 1 . . H
C14 .3410(7) .8603(5) .2024(6) .050(2) Uani d . 1 . . C
H14 .3436 .9229 .2105 .060 Uiso calc R 1 . . H
C15 .2414(8) .8177(5) .1868(6) .051(2) Uani d . 1 . . C
H15 .1753 .8507 .1808 .061 Uiso calc R 1 . . H
C16 .2405(6) .7285(5) .1805(5) .0401(19) Uani d . 1 . . C
H16 .1718 .6995 .1722 .048 Uiso calc R 1 . . H
O4 .6256(4) .3517(3) .0401(3) .0317(11) Uani d . 1 . . O
N41 .8167(4) .3706(4) .0396(4) .0281(13) Uani d . 1 . . N
C42 .7275(6) .3184(4) .0505(4) .0273(15) Uani d . 1 . . C
C43 .7377(7) .2288(5) .0704(5) .0369(17) Uani d . 1 . . C
H43 .6741 .1933 .0761 .044 Uiso calc R 1 . . H
C44 .8405(7) .1908(5) .0821(5) .0422(19) Uani d . 1 . . C
H44 .8483 .1293 .0960 .051 Uiso calc R 1 . . H
C45 .9317(7) .2445(5) .0731(6) .045(2) Uani d . 1 . . C
H45 1.0030 .2201 .0818 .054 Uiso calc R 1 . . H
C46 .9191(6) .3336(5) .0513(5) .0383(18) Uani d . 1 . . C
H46 .9820 .3697 .0444 .046 Uiso calc R 1 . . H
O1A .2912(4) .4079(3) .2043(3) .0308(11) Uani d . 1 . . O
C1A .2491(5) .3557(5) .1423(5) .0299(16) Uani d . 1 . . C
C2A .2488(8) .2582(5) .1683(7) .059(3) Uani d . 1 . . C
H2A1 .2193 .2509 .2315 .089 Uiso calc R 1 . . H
H2A2 .3238 .2351 .1681 .089 Uiso calc R 1 . . H
H2A3 .2031 .2254 .1220 .089 Uiso calc R 1 . . H
O2A .2103(4) .3768(3) .0619(3) .0319(11) Uani d . 1 . . O
O1B .1448(4) .5543(3) .2377(3) .0375(12) Uani d . 1 . . O
C1B .0596(6) .5397(5) .1865(5) .0319(16) Uani d . 1 . . C
C2B -.0502(7) .5541(7) .2334(6) .063(3) Uani d . 1 . . C
H2B1 -.0727 .6162 .2256 .094 Uiso calc R 1 . . H
H2B2 -.0425 .5401 .3009 .094 Uiso calc R 1 . . H
H2B3 -.1056 .5152 .2036 .094 Uiso calc R 1 . . H
O2B .0568(4) .5231(3) .1003(3) .0368(12) Uani d . 1 . . O
C70 .8801(19) .8743(11) .1312(12) .056(8) Uani d PDU .365(3) A 1 C
H70 .8167 .9071 .1576 .067 Uiso calc PR .365(3) A 1 H
Cl71 .9690(4) .8403(4) .2261(4) .0492(16) Uani d PDU .365(3) A 1 Cl
Cl72 .8314(6) .7779(5) .0740(5) .062(2) Uani d PDU .365(3) A 1 Cl
Cl73 .9463(7) .9439(4) .0506(5) .069(2) Uani d PDU .365(3) A 1 Cl
C80 .7814(14) .5897(10) .5848(12) .115(6) Uani d PDU .416(7) B 2 C
H80 .7607 .5495 .6377 .138 Uiso calc PR .416(7) B 2 H
Cl81 .6787(9) .6717(5) .5660(6) .105(4) Uani d PDU .416(7) B 2 Cl
Cl82 .7915(16) .5281(7) .4797(7) .246(10) Uani d PDU .416(7) B 2 Cl
Cl83 .9089(11) .6404(11) .6123(13) .233(8) Uani d PDU .416(7) B 2 Cl
C90 .665(2) .6198(14) .560(3) .134(11) Uani d PDU .219(7) C 3 C
H90 .6386 .6087 .6251 .160 Uiso calc PR .219(7) C 3 H
Cl91 .5664(17) .6846(10) .5001(12) .131(7) Uani d PDU .219(7) C 3 Cl
Cl92 .684(3) .5162(10) .5068(15) .181(13) Uani d PDU .219(7) C 3 Cl
Cl93 .789(2) .6790(17) .573(2) .204(13) Uani d PDU .219(7) C 3 Cl
O70A .5919(19) .5102(14) .5751(14) .032(7) Uani d PU .26(2) D 4 O
O70B .5147(11) .4590(7) .5992(5) .080(6) Uani d P .74(2) D 5 O
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl .1484 .1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -.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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 Pd1 N11 . . 89.3(2) yes
C2 Pd1 O1A . . 91.6(2) yes
N11 Pd1 O1A . . 176.6(2) yes
C2 Pd1 O1B . . 177.6(2) yes
N11 Pd1 O1B . . 92.9(2) yes
O1A Pd1 O1B . . 86.22(18) yes
C2 Pd1 Pd2 . 3_665 99.30(18) ?
N11 Pd1 Pd2 . 3_665 102.59(16) ?
O1A Pd1 Pd2 . 3_665 80.51(12) ?
O1B Pd1 Pd2 . 3_665 81.20(13) ?
C5 Pd2 N41 . . 86.4(2) yes
C5 Pd2 O2A . 3_665 92.5(2) yes
N41 Pd2 O2A . 3_665 178.8(2) yes
C5 Pd2 O2B . 3_665 178.1(2) yes
N41 Pd2 O2B . 3_665 92.5(2) yes
O2A Pd2 O2B 3_665 3_665 88.71(18) yes
C5 Pd2 Pd1 . 3_665 97.88(19) ?
N41 Pd2 Pd1 . 3_665 99.20(15) ?
O2A Pd2 Pd1 3_665 3_665 81.09(12) ?
O2B Pd2 Pd1 3_665 3_665 80.77(13) ?
C2 C1 C6 . . 123.9(6) yes
C2 C1 O1 . . 122.9(6) yes
C6 C1 O1 . . 113.2(6) yes
C1 C2 C3 . . 114.7(6) yes
C1 C2 Pd1 . . 124.0(5) yes
C3 C2 Pd1 . . 121.2(5) yes
C4 C3 C2 . . 121.4(6) yes
C3 C4 C5 . . 124.0(6) yes
C3 C4 O4 . . 114.4(5) yes
C5 C4 O4 . . 121.5(6) yes
C4 C5 C6 . . 114.2(6) yes
C4 C5 Pd2 . . 120.2(5) yes
C6 C5 Pd2 . . 125.1(5) yes
C1 C6 C5 . . 121.3(6) yes
C12 O1 C1 . . 124.0(5) yes
C12 N11 C16 . . 116.6(6) ?
C12 N11 Pd1 . . 125.7(5) ?
C16 N11 Pd1 . . 117.3(5) ?
N11 C12 O1 . . 122.2(6) ?
N11 C12 C13 . . 122.6(7) ?
O1 C12 C13 . . 115.3(7) ?
C14 C13 C12 . . 118.9(8) ?
C13 C14 C15 . . 119.5(7) ?
C16 C15 C14 . . 118.5(8) ?
C15 C16 N11 . . 123.8(8) ?
C42 O4 C4 . . 120.0(5) yes
C42 N41 C46 . . 118.9(6) ?
C42 N41 Pd2 . . 122.0(4) ?
C46 N41 Pd2 . . 118.5(5) ?
O4 C42 N41 . . 121.1(6) ?
O4 C42 C43 . . 117.5(6) ?
N41 C42 C43 . . 121.3(6) ?
C42 C43 C44 . . 120.2(7) ?
C43 C44 C45 . . 118.4(7) ?
C46 C45 C44 . . 120.1(7) ?
N41 C46 C45 . . 121.0(7) ?
C1A O1A Pd1 . . 126.2(4) yes
O2A C1A O1A . . 126.8(6) yes
O2A C1A C2A . . 117.3(6) yes
O1A C1A C2A . . 115.8(6) yes
C1A O2A Pd2 . 3_665 125.0(4) yes
C1B O1B Pd1 . . 124.9(4) yes
O2B C1B O1B . . 126.2(6) yes
O2B C1B C2B . . 117.1(7) yes
O1B C1B C2B . . 116.3(6) yes
C1B O2B Pd2 . 3_665 126.7(5) yes
Cl72 C70 Cl73 . . 110.4(11) ?
Cl72 C70 Cl71 . . 107.4(9) ?
Cl73 C70 Cl71 . . 112.1(11) ?
Cl82 C80 Cl83 . . 109.2(10) ?
Cl82 C80 Cl81 . . 107.9(9) ?
Cl83 C80 Cl81 . . 110.4(9) ?
Cl92 C90 Cl91 . . 112.5(14) ?
Cl92 C90 Cl93 . . 112.0(14) ?
Cl91 C90 Cl93 . . 110.3(14) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pd1 C2 . 1.980(7) yes
Pd1 N11 . 2.044(6) yes
Pd1 O1A . 2.052(5) yes
Pd1 O1B . 2.171(5) yes
Pd1 Pd2 3_665 2.9182(11) ?
Pd2 C5 . 1.962(7) yes
Pd2 N41 . 2.007(5) yes
Pd2 O2A 3_665 2.067(4) yes
Pd2 O2B 3_665 2.158(5) yes
Pd2 Pd1 3_665 2.9182(11) ?
C1 C2 . 1.378(9) yes
C1 C6 . 1.399(9) yes
C1 O1 . 1.417(8) yes
C2 C3 . 1.403(9) yes
C3 C4 . 1.381(10) yes
C4 C5 . 1.395(9) yes
C4 O4 . 1.417(7) yes
C5 C6 . 1.400(9) yes
O1 C12 . 1.350(9) ?
N11 C12 . 1.332(9) ?
N11 C16 . 1.364(9) ?
C12 C13 . 1.398(9) ?
C13 C14 . 1.352(11) ?
C14 C15 . 1.388(11) ?
C15 C16 . 1.346(10) ?
O4 C42 . 1.346(8) ?
N41 C42 . 1.356(8) ?
N41 C46 . 1.375(9) ?
C42 C43 . 1.383(9) ?
C43 C44 . 1.386(10) ?
C44 C45 . 1.387(11) ?
C45 C46 . 1.383(10) ?
O1A C1A . 1.273(8) yes
C1A O2A . 1.258(8) yes
C1A C2A . 1.514(9) yes
O2A Pd2 3_665 2.067(4) ?
O1B C1B . 1.269(8) yes
C1B O2B . 1.243(8) yes
C1B C2B . 1.531(10) yes
O2B Pd2 3_665 2.158(5) ?
C70 Cl72 . 1.756(14) ?
C70 Cl73 . 1.763(15) ?
C70 Cl71 . 1.775(14) ?
C80 Cl82 . 1.759(13) ?
C80 Cl83 . 1.767(14) ?
C80 Cl81 . 1.774(13) ?
C90 Cl92 . 1.749(16) ?
C90 Cl91 . 1.752(16) ?
C90 Cl93 . 1.763(16) ?
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
C6 C1 C2 C3 . . 5.6(10)
O1 C1 C2 C3 . . -174.6(6)
C6 C1 C2 Pd1 . . -170.1(5)
O1 C1 C2 Pd1 . . 9.6(9)
N11 Pd1 C2 C1 . . 15.1(6)
O1A Pd1 C2 C1 . . -161.6(6)
Pd2 Pd1 C2 C1 3_665 . 117.8(5)
N11 Pd1 C2 C3 . . -160.4(5)
O1A Pd1 C2 C3 . . 22.9(5)
Pd2 Pd1 C2 C3 3_665 . -57.7(5)
C1 C2 C3 C4 . . -1.3(9)
Pd1 C2 C3 C4 . . 174.6(5)
C2 C3 C4 C5 . . -5.3(10)
C2 C3 C4 O4 . . 178.0(5)
C3 C4 C5 C6 . . 7.2(9)
O4 C4 C5 C6 . . -176.3(5)
C3 C4 C5 Pd2 . . -164.9(5)
O4 C4 C5 Pd2 . . 11.6(8)
N41 Pd2 C5 C4 . . -40.8(5)
O2A Pd2 C5 C4 3_665 . 139.4(5)
Pd1 Pd2 C5 C4 3_665 . 58.1(5)
N41 Pd2 C5 C6 . . 148.0(6)
O2A Pd2 C5 C6 3_665 . -31.8(6)
Pd1 Pd2 C5 C6 3_665 . -113.2(6)
C2 C1 C6 C5 . . -3.6(10)
O1 C1 C6 C5 . . 176.6(6)
C4 C5 C6 C1 . . -2.8(9)
Pd2 C5 C6 C1 . . 168.8(5)
C2 C1 O1 C12 . . -36.9(10)
C6 C1 O1 C12 . . 142.8(7)
C2 Pd1 N11 C12 . . -25.9(6)
O1B Pd1 N11 C12 . . 153.1(6)
Pd2 Pd1 N11 C12 3_665 . -125.2(5)
C2 Pd1 N11 C16 . . 161.1(5)
O1B Pd1 N11 C16 . . -19.9(5)
Pd2 Pd1 N11 C16 3_665 . 61.7(5)
C16 N11 C12 O1 . . -176.5(6)
Pd1 N11 C12 O1 . . 10.4(10)
C16 N11 C12 C13 . . 3.5(10)
Pd1 N11 C12 C13 . . -169.6(5)
C1 O1 C12 N11 . . 25.5(10)
C1 O1 C12 C13 . . -154.5(6)
N11 C12 C13 C14 . . -2.4(11)
O1 C12 C13 C14 . . 177.6(7)
C12 C13 C14 C15 . . -1.1(12)
C13 C14 C15 C16 . . 3.4(12)
C14 C15 C16 N11 . . -2.3(12)
C12 N11 C16 C15 . . -1.1(11)
Pd1 N11 C16 C15 . . 172.6(6)
C3 C4 O4 C42 . . -144.7(6)
C5 C4 O4 C42 . . 38.5(8)
C5 Pd2 N41 C42 . . 41.5(5)
O2B Pd2 N41 C42 3_665 . -137.0(5)
Pd1 Pd2 N41 C42 3_665 . -55.9(5)
C5 Pd2 N41 C46 . . -147.6(5)
O2B Pd2 N41 C46 3_665 . 33.9(5)
Pd1 Pd2 N41 C46 3_665 . 115.0(5)
C4 O4 C42 N41 . . -39.1(8)
C4 O4 C42 C43 . . 142.4(6)
C46 N41 C42 O4 . . 179.7(6)
Pd2 N41 C42 O4 . . -9.4(8)
C46 N41 C42 C43 . . -1.8(9)
Pd2 N41 C42 C43 . . 169.1(5)
O4 C42 C43 C44 . . -179.8(6)
N41 C42 C43 C44 . . 1.6(10)
C42 C43 C44 C45 . . -.2(11)
C43 C44 C45 C46 . . -1.0(11)
C42 N41 C46 C45 . . .6(10)
Pd2 N41 C46 C45 . . -170.6(5)
C44 C45 C46 N41 . . .9(11)
C2 Pd1 O1A C1A . . -95.3(6)
N11 Pd1 O1A C1A . . 161(3)
O1B Pd1 O1A C1A . . 85.6(5)
Pd2 Pd1 O1A C1A 3_665 . 3.9(5)
Pd1 O1A C1A O2A . . -1.5(10)
Pd1 O1A C1A C2A . . 177.1(5)
O1A C1A O2A Pd2 . 3_665 -4.1(10)
C2A C1A O2A Pd2 . 3_665 177.4(5)
N11 Pd1 O1B C1B . . 105.9(6)
O1A Pd1 O1B C1B . . -77.4(6)
Pd2 Pd1 O1B C1B 3_665 . 3.6(5)
Pd1 O1B C1B O2B . . -5.8(10)
Pd1 O1B C1B C2B . . -178.6(5)
O1B C1B O2B Pd2 . 3_665 4.3(11)
C2B C1B O2B Pd2 . 3_665 177.0(5)
