#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:07:26 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180124 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/22/7102289.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_7102289
loop_
_publ_author_name
'Stromnova, Tatiana A'
'Shishilov, Oleg N'
'Churakov, Andrei V'
'Kuz'mina, Lyudmila G'
'Howard, Judith A K'
_publ_section_title
;
 NO-disproportionation, promoted by Pd-cluster: formation and X-ray
 structure of Pd8(micro-CO)4(micro-OOCCMe3)8[micro-N(=O)O-]4.
;
_journal_issue                   45
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              4800
_journal_page_last               4802
_journal_paper_doi               10.1039/b710230e
_journal_year                    2007
_chemical_formula_moiety
'C44 H72 N4 O28 Pd8, C7 H8, 0.5(C6 H14), C6 H6, 0.5(C6 H6)'
_chemical_formula_sum            'C63 H96 N4 O28 Pd8'
_chemical_formula_weight         2208.64
_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                 114.518(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.2125(13)
_cell_length_b                   19.3904(13)
_cell_length_c                   23.8068(16)
_cell_measurement_reflns_used    7544
_cell_measurement_temperature    115(2)
_cell_measurement_theta_max      29.585
_cell_measurement_theta_min      2.273
_cell_volume                     8489.2(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      115(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       ω
_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  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0501
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            75538
_diffrn_reflns_theta_full        28.50
_diffrn_reflns_theta_max         28.50
_diffrn_reflns_theta_min         1.88
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.727
_exptl_absorpt_correction_T_max  0.7239
_exptl_absorpt_correction_T_min  0.6253
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4376
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.660
_refine_diff_density_min         -0.873
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     839
_refine_ls_number_reflns         21499
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0513
_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)+(0.0837P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1270
_refine_ls_wR_factor_ref         0.1394
_reflns_number_gt                14784
_reflns_number_total             21499
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b710230e.txt
_cod_data_source_block           p
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7102289
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 0.200427(19) 0.610313(19) -0.023992(19) 0.02838(9) Uani 1 1 d . A .
Pd2 Pd 0.33748(2) 0.56531(2) -0.01754(2) 0.03361(11) Uani 1 1 d . A .
Pd3 Pd 0.436939(19) 0.661354(19) -0.00533(2) 0.03019(10) Uani 1 1 d . A .
Pd4 Pd 0.40427(2) 0.80493(2) -0.00098(2) 0.03128(10) Uani 1 1 d . A .
Pd5 Pd 0.15429(2) 0.820689(19) -0.132816(18) 0.02907(10) Uani 1 1 d . . .
Pd6 Pd 0.09053(2) 0.90322(2) -0.067400(18) 0.02997(10) Uani 1 1 d . . .
Pd7 Pd 0.148220(19) 0.899289(19) 0.055527(18) 0.02776(9) Uani 1 1 d . . .
Pd8 Pd 0.260905(19) 0.800900(19) 0.112161(18) 0.02684(9) Uani 1 1 d . . .
C1 C 0.4101(3) 0.6129(3) 0.0552(3) 0.0351(12) Uani 1 1 d . . .
O1 O 0.4294(2) 0.6106(2) 0.1071(2) 0.0465(10) Uani 1 1 d . . .
C2 C 0.3550(3) 0.6227(3) -0.0776(3) 0.0383(13) Uani 1 1 d . . .
O2 O 0.3312(2) 0.6294(2) -0.1302(2) 0.0539(11) Uani 1 1 d . . .
C3 C 0.1742(3) 0.9515(3) -0.0040(3) 0.0343(12) Uani 1 1 d . . .
O3 O 0.2168(2) 0.9903(2) -0.0024(2) 0.0484(11) Uani 1 1 d . . .
C4 C 0.0744(3) 0.8421(3) -0.0082(3) 0.0336(12) Uani 1 1 d . . .
O4 O 0.0398(2) 0.7959(2) -0.0090(2) 0.0465(10) Uani 1 1 d . . .
N1 N 0.2378(2) 0.6718(2) 0.0488(2) 0.0432(12) Uani 1 1 d . . .
O13 O 0.2802(3) 0.6519(2) 0.1008(2) 0.0581(12) Uani 1 1 d . . .
O14 O 0.21251(18) 0.73033(19) 0.0440(2) 0.0413(10) Uani 1 1 d . . .
N2 N 0.1480(2) 0.7314(2) -0.0947(2) 0.0394(11) Uani 1 1 d . . .
O23 O 0.0910(2) 0.7098(2) -0.0926(2) 0.0570(12) Uani 1 1 d . . .
O24 O 0.2004(2) 0.69166(19) -0.07661(19) 0.0406(9) Uani 1 1 d . . .
N3 N 0.3232(2) 0.8277(2) 0.0705(2) 0.0358(10) Uani 1 1 d . . .
O33 O 0.3414(2) 0.8883(2) 0.0672(2) 0.0579(12) Uani 1 1 d . . .
O34 O 0.3513(2) 0.7818(2) 0.0524(2) 0.0441(10) Uani 1 1 d . . .
N4 N 0.3085(2) 0.8058(2) -0.0733(2) 0.0371(11) Uani 1 1 d . . .
O43 O 0.2989(2) 0.7851(3) -0.1259(2) 0.0582(12) Uani 1 1 d . . .
O44 O 0.2560(2) 0.8327(2) -0.0677(2) 0.0437(10) Uani 1 1 d . . .
C11 C 0.1965(3) 0.5108(3) -0.1155(3) 0.0374(13) Uani 1 1 d . A .
C12 C 0.1545(3) 0.4629(3) -0.1703(3) 0.0466(15) Uani 1 1 d . . .
C13 C 0.2042(6) 0.4085(6) -0.1765(6) 0.065(3) Uiso 0.71 1 d P A 3
H13A H 0.2517 0.4290 -0.1682 0.097 Uiso 0.71 1 calc PR A 3
H13B H 0.1830 0.3897 -0.2185 0.097 Uiso 0.71 1 calc PR A 3
H13C H 0.2103 0.3714 -0.1468 0.097 Uiso 0.71 1 calc PR A 3
C14 C 0.0895(5) 0.4324(5) -0.1632(5) 0.060(3) Uiso 0.71 1 d P A 3
H14A H 0.0564 0.4695 -0.1635 0.091 Uiso 0.71 1 calc PR A 3
H14B H 0.1059 0.4073 -0.1240 0.091 Uiso 0.71 1 calc PR A 3
H14C H 0.0640 0.4007 -0.1975 0.091 Uiso 0.71 1 calc PR A 3
C15 C 0.1277(7) 0.5110(6) -0.2281(6) 0.076(3) Uiso 0.71 1 d P A 3
H15A H 0.1688 0.5375 -0.2283 0.114 Uiso 0.71 1 calc PR A 3
H15B H 0.0907 0.5426 -0.2266 0.114 Uiso 0.71 1 calc PR A 3
H15C H 0.1067 0.4829 -0.2656 0.114 Uiso 0.71 1 calc PR A 3
C16 C 0.144(3) 0.395(2) -0.135(2) 0.133(16) Uiso 0.29 1 d P A 4
H16A H 0.1454 0.4082 -0.0951 0.199 Uiso 0.29 1 calc PR A 4
H16B H 0.1826 0.3619 -0.1297 0.199 Uiso 0.29 1 calc PR A 4
H16C H 0.0965 0.3739 -0.1605 0.199 Uiso 0.29 1 calc PR A 4
C17 C 0.1938(15) 0.4525(15) -0.2081(14) 0.073(8) Uiso 0.29 1 d P A 4
H17A H 0.1818 0.4895 -0.2388 0.110 Uiso 0.29 1 calc PR A 4
H17B H 0.1802 0.4080 -0.2292 0.110 Uiso 0.29 1 calc PR A 4
H17C H 0.2462 0.4530 -0.1820 0.110 Uiso 0.29 1 calc PR A 4
C18 C 0.080(2) 0.488(2) -0.2051(18) 0.108(12) Uiso 0.29 1 d P A 4
H18A H 0.0807 0.5380 -0.2102 0.163 Uiso 0.29 1 calc PR A 4
H18B H 0.0505 0.4765 -0.1825 0.163 Uiso 0.29 1 calc PR A 4
H18C H 0.0593 0.4657 -0.2458 0.163 Uiso 0.29 1 calc PR A 4
O11 O 0.15925(19) 0.54931(19) -0.09750(19) 0.0400(9) Uani 1 1 d . . .
O12 O 0.2645(2) 0.5074(2) -0.0918(2) 0.0491(11) Uani 1 1 d . . .
C21 C 0.2630(3) 0.4930(3) 0.0538(3) 0.0399(13) Uani 1 1 d . A .
C22 C 0.2622(4) 0.4372(4) 0.0986(3) 0.0556(18) Uani 1 1 d . . .
C23 C 0.2923(5) 0.3715(5) 0.0855(5) 0.091(3) Uiso 1 1 d . . .
H23A H 0.2689 0.3617 0.0411 0.136 Uiso 1 1 calc R . .
H23B H 0.2828 0.3336 0.1083 0.136 Uiso 1 1 calc R . .
H23C H 0.3448 0.3764 0.0984 0.136 Uiso 1 1 calc R . .
C24 C 0.1863(4) 0.4233(4) 0.0933(4) 0.074(2) Uiso 1 1 d . . .
H24A H 0.1639 0.4667 0.0976 0.111 Uiso 1 1 calc R . .
H24B H 0.1886 0.3913 0.1260 0.111 Uiso 1 1 calc R . .
H24C H 0.1570 0.4028 0.0529 0.111 Uiso 1 1 calc R . .
C25 C 0.3096(7) 0.4630(6) 0.1620(6) 0.126(4) Uiso 1 1 d . . .
H25A H 0.3000 0.5121 0.1649 0.189 Uiso 1 1 calc R . .
H25B H 0.3608 0.4566 0.1698 0.189 Uiso 1 1 calc R . .
H25C H 0.2990 0.4371 0.1926 0.189 Uiso 1 1 calc R . .
O21 O 0.2064(2) 0.5301(2) 0.03057(19) 0.0428(10) Uani 1 1 d . . .
O22 O 0.3190(2) 0.4989(2) 0.0448(2) 0.0506(12) Uani 1 1 d . . .
C31 C 0.4736(3) 0.7702(3) -0.0803(3) 0.0376(13) Uani 1 1 d . B .
C32 C 0.5031(4) 0.7888(3) -0.1275(4) 0.064(2) Uani 1 1 d D . .
C33 C 0.5878(7) 0.8042(9) -0.0873(8) 0.079(4) Uiso 0.53 1 d PD B 1
H33A H 0.5929 0.8444 -0.0608 0.118 Uiso 0.53 1 calc PR B 1
H33B H 0.6116 0.8137 -0.1149 0.118 Uiso 0.53 1 calc PR B 1
H33C H 0.6106 0.7640 -0.0616 0.118 Uiso 0.53 1 calc PR B 1
C34 C 0.4792(9) 0.8592(7) -0.1559(8) 0.073(4) Uiso 0.53 1 d PD B 1
H34A H 0.4790 0.8914 -0.1242 0.109 Uiso 0.53 1 calc PR B 1
H34B H 0.4301 0.8561 -0.1890 0.109 Uiso 0.53 1 calc PR B 1
H34C H 0.5128 0.8758 -0.1729 0.109 Uiso 0.53 1 calc PR B 1
C35 C 0.5104(12) 0.7229(9) -0.1609(10) 0.107(6) Uiso 0.53 1 d PD B 1
H35A H 0.5262 0.6845 -0.1314 0.160 Uiso 0.53 1 calc PR B 1
H35B H 0.5464 0.7305 -0.1779 0.160 Uiso 0.53 1 calc PR B 1
H35C H 0.4633 0.7118 -0.1944 0.160 Uiso 0.53 1 calc PR B 1
C36 C 0.4354(9) 0.7663(10) -0.1906(8) 0.090(6) Uiso 0.47 1 d PD B 2
H36A H 0.3940 0.7969 -0.1981 0.135 Uiso 0.47 1 calc PR B 2
H36B H 0.4216 0.7186 -0.1868 0.135 Uiso 0.47 1 calc PR B 2
H36C H 0.4496 0.7696 -0.2252 0.135 Uiso 0.47 1 calc PR B 2
C37 C 0.5650(9) 0.7427(9) -0.1250(10) 0.084(5) Uiso 0.47 1 d PD B 2
H37A H 0.6085 0.7524 -0.0872 0.126 Uiso 0.47 1 calc PR B 2
H37B H 0.5754 0.7515 -0.1610 0.126 Uiso 0.47 1 calc PR B 2
H37C H 0.5511 0.6943 -0.1250 0.126 Uiso 0.47 1 calc PR B 2
C38 C 0.5141(12) 0.8674(7) -0.1316(11) 0.087(6) Uiso 0.47 1 d PD B 2
H38A H 0.5505 0.8840 -0.0919 0.131 Uiso 0.47 1 calc PR B 2
H38B H 0.4679 0.8913 -0.1415 0.131 Uiso 0.47 1 calc PR B 2
H38C H 0.5310 0.8765 -0.1640 0.131 Uiso 0.47 1 calc PR B 2
O31 O 0.4716(2) 0.7085(2) -0.0683(2) 0.0438(10) Uani 1 1 d . . .
O32 O 0.4541(2) 0.8201(2) -0.0564(2) 0.0427(10) Uani 1 1 d . . .
C41 C 0.5401(3) 0.7561(3) 0.0942(3) 0.0389(13) Uani 1 1 d . B .
C42 C 0.6117(3) 0.7677(4) 0.1521(3) 0.0528(17) Uani 1 1 d . . .
C43 C 0.6087(6) 0.8282(5) 0.1882(5) 0.095(3) Uiso 1 1 d . . .
H43A H 0.5717 0.8208 0.2042 0.143 Uiso 1 1 calc R . .
H43B H 0.5962 0.8692 0.1618 0.143 Uiso 1 1 calc R . .
H43C H 0.6562 0.8349 0.2228 0.143 Uiso 1 1 calc R . .
C44 C 0.6692(5) 0.7826(5) 0.1257(5) 0.092(3) Uiso 1 1 d . . .
H44A H 0.7163 0.7927 0.1598 0.139 Uiso 1 1 calc R . .
H44B H 0.6535 0.8222 0.0977 0.139 Uiso 1 1 calc R . .
H44C H 0.6740 0.7421 0.1031 0.139 Uiso 1 1 calc R . .
C45 C 0.6341(4) 0.7037(4) 0.1902(4) 0.068(2) Uiso 1 1 d . . .
H45A H 0.5980 0.6927 0.2064 0.102 Uiso 1 1 calc R . .
H45B H 0.6816 0.7110 0.2246 0.102 Uiso 1 1 calc R . .
H45C H 0.6374 0.6655 0.1646 0.102 Uiso 1 1 calc R . .
O41 O 0.5285(2) 0.69749(19) 0.0705(2) 0.0473(11) Uani 1 1 d . . .
O42 O 0.4986(2) 0.8072(2) 0.0736(2) 0.0462(10) Uani 1 1 d . . .
C51 C 0.1270(3) 0.9636(3) -0.1701(3) 0.0373(12) Uani 1 1 d . . .
C52 C 0.1207(4) 1.0217(3) -0.2148(3) 0.0502(16) Uani 1 1 d . . .
C53 C 0.0379(5) 1.0230(5) -0.2626(5) 0.096(3) Uiso 1 1 d . . .
H53A H 0.0305 1.0596 -0.2930 0.144 Uiso 1 1 calc R . .
H53B H 0.0071 1.0319 -0.2406 0.144 Uiso 1 1 calc R . .
H53C H 0.0248 0.9784 -0.2838 0.144 Uiso 1 1 calc R . .
C54 C 0.1658(5) 1.0074(5) -0.2494(5) 0.094(3) Uiso 1 1 d . . .
H54A H 0.2172 1.0049 -0.2205 0.140 Uiso 1 1 calc R . .
H54B H 0.1591 1.0445 -0.2793 0.140 Uiso 1 1 calc R . .
H54C H 0.1510 0.9634 -0.2713 0.140 Uiso 1 1 calc R . .
C55 C 0.1349(5) 1.0888(4) -0.1819(4) 0.075(2) Uiso 1 1 d . . .
H55A H 0.1836 1.0884 -0.1481 0.112 Uiso 1 1 calc R . .
H55B H 0.0987 1.0965 -0.1651 0.112 Uiso 1 1 calc R . .
H55C H 0.1317 1.1260 -0.2108 0.112 Uiso 1 1 calc R . .
O51 O 0.1581(2) 0.90862(18) -0.17473(19) 0.0391(9) Uani 1 1 d . . .
O52 O 0.0971(2) 0.9715(2) -0.13348(19) 0.0467(10) Uani 1 1 d . . .
C61 C -0.0018(3) 0.8228(3) -0.1821(3) 0.0385(13) Uani 1 1 d . . .
C62 C -0.0759(3) 0.7983(4) -0.2283(3) 0.0594(19) Uani 1 1 d . . .
C63 C -0.0700(4) 0.7636(4) -0.2839(4) 0.070(2) Uiso 1 1 d . . .
H63A H -0.0479 0.7958 -0.3029 0.106 Uiso 1 1 calc R . .
H63B H -0.1186 0.7506 -0.3141 0.106 Uiso 1 1 calc R . .
H63C H -0.0396 0.7222 -0.2701 0.106 Uiso 1 1 calc R . .
C64 C -0.1253(7) 0.8557(6) -0.2500(6) 0.121(4) Uiso 1 1 d . . .
H64A H -0.1053 0.8900 -0.2689 0.182 Uiso 1 1 calc R . .
H64B H -0.1318 0.8766 -0.2151 0.182 Uiso 1 1 calc R . .
H64C H -0.1724 0.8395 -0.2807 0.182 Uiso 1 1 calc R . .
C65 C -0.1037(6) 0.7444(6) -0.1963(6) 0.114(4) Uiso 1 1 d . . .
H65A H -0.1038 0.7641 -0.1584 0.170 Uiso 1 1 calc R . .
H65B H -0.0718 0.7039 -0.1860 0.170 Uiso 1 1 calc R . .
H65C H -0.1532 0.7307 -0.2240 0.170 Uiso 1 1 calc R . .
O61 O 0.05210(19) 0.80790(19) -0.19297(17) 0.0377(9) Uani 1 1 d . . .
O62 O 0.0001(2) 0.8554(2) -0.13625(19) 0.0491(11) Uani 1 1 d . . .
C71 C 0.2837(3) 0.9363(3) 0.1674(3) 0.0348(12) Uani 1 1 d . . .
C72 C 0.3323(4) 0.9889(3) 0.2145(3) 0.0573(18) Uani 1 1 d . . .
C73 C 0.2835(6) 1.0427(6) 0.2280(6) 0.120(4) Uiso 1 1 d . . .
H73A H 0.2553 1.0196 0.2474 0.181 Uiso 1 1 calc R . .
H73B H 0.2503 1.0640 0.1891 0.181 Uiso 1 1 calc R . .
H73C H 0.3143 1.0783 0.2558 0.181 Uiso 1 1 calc R . .
C74 C 0.3772(6) 1.0267(6) 0.1839(5) 0.104(3) Uiso 1 1 d . . .
H74A H 0.4070 0.9931 0.1740 0.157 Uiso 1 1 calc R . .
H74B H 0.4087 1.0613 0.2124 0.157 Uiso 1 1 calc R . .
H74C H 0.3439 1.0494 0.1458 0.157 Uiso 1 1 calc R . .
C75 C 0.3837(5) 0.9547(4) 0.2739(4) 0.078(2) Uiso 1 1 d . . .
H75A H 0.3557 0.9263 0.2904 0.117 Uiso 1 1 calc R . .
H75B H 0.4103 0.9902 0.3042 0.117 Uiso 1 1 calc R . .
H75C H 0.4182 0.9256 0.2656 0.117 Uiso 1 1 calc R . .
O71 O 0.2277(2) 0.9580(2) 0.12578(18) 0.0469(10) Uani 1 1 d . . .
O72 O 0.30611(19) 0.8755(2) 0.17446(18) 0.0414(9) Uani 1 1 d . . .
C81 C 0.1463(3) 0.7998(3) 0.1536(2) 0.0325(11) Uani 1 1 d . . .
C82 C 0.1105(3) 0.7688(4) 0.1923(3) 0.0541(17) Uani 1 1 d . . .
C83 C 0.0736(5) 0.7030(5) 0.1612(5) 0.086(3) Uiso 1 1 d . . .
H83A H 0.0284 0.7141 0.1255 0.128 Uiso 1 1 calc R . .
H83B H 0.0624 0.6750 0.1905 0.128 Uiso 1 1 calc R . .
H83C H 0.1059 0.6771 0.1476 0.128 Uiso 1 1 calc R . .
C84 C 0.0541(5) 0.8179(5) 0.1976(5) 0.085(3) Uiso 1 1 d . . .
H84A H 0.0200 0.8324 0.1562 0.127 Uiso 1 1 calc R . .
H84B H 0.0787 0.8586 0.2217 0.127 Uiso 1 1 calc R . .
H84C H 0.0274 0.7943 0.2182 0.127 Uiso 1 1 calc R . .
C85 C 0.1687(4) 0.7523(4) 0.2575(4) 0.069(2) Uiso 1 1 d . . .
H85A H 0.2036 0.7191 0.2545 0.103 Uiso 1 1 calc R . .
H85B H 0.1452 0.7325 0.2825 0.103 Uiso 1 1 calc R . .
H85C H 0.1942 0.7947 0.2770 0.103 Uiso 1 1 calc R . .
O81 O 0.1188(2) 0.8512(2) 0.12187(19) 0.0464(10) Uani 1 1 d . . .
O82 O 0.2021(2) 0.7687(2) 0.15648(19) 0.0410(9) Uani 1 1 d . . .
C91 C 0.4936(4) 0.4706(3) 0.0496(3) 0.0518(17) Uani 1 1 d . . .
H91A H 0.4897 0.4502 0.0844 0.062 Uiso 1 1 calc R . .
C92 C 0.5460(4) 0.5201(3) 0.0585(3) 0.0556(19) Uani 1 1 d . D .
H92A H 0.5777 0.5339 0.0991 0.067 Uiso 1 1 calc R . .
C93 C 0.5524(3) 0.5494(3) 0.0082(3) 0.0497(16) Uani 1 1 d . . .
H93A H 0.5885 0.5833 0.0139 0.060 Uiso 0.50 1 calc PR C 8
C90 C 0.6138(15) 0.6055(14) 0.0190(14) 0.148(11) Uiso 0.50 1 d P D 9
H90A H 0.6050 0.6282 -0.0202 0.222 Uiso 0.50 1 calc PR D 9
H90B H 0.6614 0.5830 0.0351 0.222 Uiso 0.50 1 calc PR D 9
H90C H 0.6127 0.6399 0.0488 0.222 Uiso 0.50 1 calc PR D 9
C94 C 0.0255(4) 0.9912(4) 0.0635(4) 0.062(2) Uani 1 1 d . . .
H94A H 0.0431 0.9850 0.1069 0.074 Uiso 0.50 1 calc PR E 6
C95 C -0.0297(4) 0.9510(4) 0.0234(4) 0.064(2) Uani 1 1 d . F .
H95A H -0.0510 0.9168 0.0393 0.077 Uiso 1 1 calc R . .
C96 C -0.0547(4) 0.9595(4) -0.0392(4) 0.062(2) Uani 1 1 d . . .
H96A H -0.0928 0.9308 -0.0662 0.075 Uiso 1 1 calc R F .
C100 C 0.0651(15) 0.9906(15) 0.1410(13) 0.153(11) Uiso 0.50 1 d P F 7
H10G H 0.1165 0.9782 0.1552 0.229 Uiso 0.50 1 calc PR F 7
H10H H 0.0407 0.9568 0.1565 0.229 Uiso 0.50 1 calc PR F 7
H10I H 0.0612 1.0365 0.1566 0.229 Uiso 0.50 1 calc PR F 7
C97 C 0.3388(14) 0.9965(13) -0.0859(12) 0.291(13) Uiso 1 1 d . . .
H97A H 0.2997 1.0262 -0.0856 0.437 Uiso 1 1 calc R . .
H97B H 0.3208 0.9492 -0.0961 0.437 Uiso 1 1 calc R . .
H97C H 0.3551 1.0135 -0.1168 0.437 Uiso 1 1 calc R . .
C98 C 0.4035(9) 0.9978(9) -0.0212(8) 0.178(6) Uiso 1 1 d . . .
H98A H 0.3987 1.0367 0.0038 0.213 Uiso 1 1 calc R . .
H98B H 0.4060 0.9542 0.0012 0.213 Uiso 1 1 calc R . .
C99 C 0.4719(7) 1.0068(8) -0.0343(6) 0.146(5) Uiso 1 1 d . . .
H99A H 0.4761 1.0538 -0.0488 0.175 Uiso 1 1 calc R . .
H99B H 0.4749 0.9720 -0.0636 0.175 Uiso 1 1 calc R . .
C101 C 0.1874(9) 0.1915(7) 0.0688(7) 0.124(4) Uani 1 1 d D . .
H10A H 0.1946 0.1809 0.1099 0.149 Uiso 1 1 calc R . .
C102 C 0.2256(9) 0.1601(7) 0.0424(8) 0.137(5) Uani 1 1 d D . .
H10B H 0.2595 0.1254 0.0647 0.164 Uiso 1 1 calc R . .
C103 C 0.2173(8) 0.1763(8) -0.0157(8) 0.133(5) Uani 1 1 d D . .
H10C H 0.2472 0.1540 -0.0322 0.159 Uiso 1 1 calc R . .
C104 C 0.1683(9) 0.2226(7) -0.0505(7) 0.131(5) Uani 1 1 d D . .
H10D H 0.1621 0.2325 -0.0915 0.158 Uiso 1 1 calc R . .
C105 C 0.1267(7) 0.2559(7) -0.0242(8) 0.130(5) Uani 1 1 d DU . .
H10E H 0.0914 0.2894 -0.0469 0.156 Uiso 1 1 calc R . .
C106 C 0.1379(7) 0.2393(8) 0.0353(8) 0.130(5) Uani 1 1 d D . .
H10F H 0.1101 0.2621 0.0535 0.156 Uiso 1 1 calc R . .
C200 C -0.0172(10) 0.4576(10) -0.0041(10) 0.082(2) Uiso 0.50 1 d P G -5
H20A H -0.0298 0.4104 -0.0043 0.098 Uiso 0.50 1 calc PR G -5
C201 C -0.0015(11) 0.4843(12) -0.0517(11) 0.082(2) Uiso 0.50 1 d P G -5
H20B H -0.0026 0.4562 -0.0848 0.098 Uiso 0.50 1 calc PR G -5
C202 C 0.0168(10) 0.5572(10) -0.0479(10) 0.082(2) Uiso 0.50 1 d P G -5
H20C H 0.0233 0.5762 -0.0821 0.098 Uiso 0.50 1 calc PR G -5
C203 C 0.0260(10) 0.6038(10) 0.0021(9) 0.082(2) Uiso 0.50 1 d P G -5
H20D H 0.0418 0.6505 0.0065 0.098 Uiso 0.50 1 calc PR G -5
C204 C 0.0063(10) 0.5650(10) 0.0434(10) 0.082(2) Uiso 0.50 1 d P G -5
H20E H 0.0075 0.5888 0.0786 0.098 Uiso 0.50 1 calc PR G -5
C205 C -0.0148(11) 0.4956(11) 0.0382(11) 0.082(2) Uiso 0.50 1 d P G -5
H20F H -0.0280 0.4769 0.0690 0.098 Uiso 0.50 1 calc PR G -5
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'
Pd Pd -0.9988 1.0072 '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'
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
N1 Pd1 O11 177.95(17) . .
N1 Pd1 O21 90.1(2) . .
O11 Pd1 O21 89.96(17) . .
N1 Pd1 O24 88.53(19) . .
O11 Pd1 O24 91.52(17) . .
O21 Pd1 O24 176.86(16) . .
N1 Pd1 Pd2 97.35(13) . .
O11 Pd1 Pd2 84.69(10) . .
O21 Pd1 Pd2 86.07(11) . .
O24 Pd1 Pd2 91.31(10) . .
C2 Pd2 C1 94.7(2) . .
C2 Pd2 O12 88.0(2) . .
C1 Pd2 O12 175.5(2) . .
C2 Pd2 O22 177.1(2) . .
C1 Pd2 O22 87.3(2) . .
O12 Pd2 O22 89.92(18) . .
C2 Pd2 Pd3 47.59(17) . .
C1 Pd2 Pd3 47.56(17) . .
O12 Pd2 Pd3 134.47(13) . .
O22 Pd2 Pd3 133.99(12) . .
C2 Pd2 Pd1 104.71(15) . .
C1 Pd2 Pd1 104.86(15) . .
O12 Pd2 Pd1 77.91(10) . .
O22 Pd2 Pd1 76.86(10) . .
Pd3 Pd2 Pd1 117.676(18) . .
C2 Pd3 C1 94.1(2) . .
C2 Pd3 O41 176.12(19) . .
C1 Pd3 O41 86.7(2) . .
C2 Pd3 O31 87.2(2) . .
C1 Pd3 O31 176.14(18) . .
O41 Pd3 O31 91.84(17) . .
C2 Pd3 Pd2 47.03(18) . .
C1 Pd3 Pd2 47.52(17) . .
O41 Pd3 Pd2 133.07(12) . .
O31 Pd3 Pd2 133.11(12) . .
C2 Pd3 Pd4 106.11(15) . .
C1 Pd3 Pd4 107.30(15) . .
O41 Pd3 Pd4 77.25(10) . .
O31 Pd3 Pd4 75.80(10) . .
Pd2 Pd3 Pd4 120.439(17) . .
O32 Pd4 N4 90.22(19) . .
O32 Pd4 O42 91.55(18) . .
N4 Pd4 O42 177.35(18) . .
O32 Pd4 O34 175.35(17) . .
N4 Pd4 O34 88.12(18) . .
O42 Pd4 O34 90.27(18) . .
O32 Pd4 Pd3 86.08(11) . .
N4 Pd4 Pd3 97.61(13) . .
O42 Pd4 Pd3 84.49(11) . .
O34 Pd4 Pd3 89.83(11) . .
O61 Pd5 N2 88.60(18) . .
O61 Pd5 O51 89.47(16) . .
N2 Pd5 O51 177.5(2) . .
O61 Pd5 O44 176.55(17) . .
N2 Pd5 O44 89.28(19) . .
O51 Pd5 O44 92.72(17) . .
O61 Pd5 Pd6 83.93(11) . .
N2 Pd5 Pd6 96.26(13) . .
O51 Pd5 Pd6 85.10(12) . .
O44 Pd5 Pd6 93.60(11) . .
C4 Pd6 C3 94.7(2) . .
C4 Pd6 O62 86.8(2) . .
C3 Pd6 O62 177.91(19) . .
C4 Pd6 O52 174.41(18) . .
C3 Pd6 O52 88.4(2) . .
O62 Pd6 O52 89.94(18) . .
C4 Pd6 Pd7 47.42(16) . .
C3 Pd6 Pd7 47.79(17) . .
O62 Pd6 Pd7 133.48(13) . .
O52 Pd6 Pd7 134.84(12) . .
C4 Pd6 Pd5 107.24(15) . .
C3 Pd6 Pd5 104.06(16) . .
O62 Pd6 Pd5 76.83(12) . .
O52 Pd6 Pd5 76.37(11) . .
Pd7 Pd6 Pd5 119.171(17) . .
C4 Pd7 C3 94.5(2) . .
C4 Pd7 O71 178.2(2) . .
C3 Pd7 O71 87.2(2) . .
C4 Pd7 O81 88.2(2) . .
C3 Pd7 O81 175.35(19) . .
O71 Pd7 O81 90.19(17) . .
C4 Pd7 Pd6 47.46(17) . .
C3 Pd7 Pd6 47.53(16) . .
O71 Pd7 Pd6 134.28(13) . .
O81 Pd7 Pd6 134.47(12) . .
C4 Pd7 Pd8 100.89(14) . .
C3 Pd7 Pd8 106.49(14) . .
O71 Pd7 Pd8 77.83(11) . .
O81 Pd7 Pd8 76.64(10) . .
Pd6 Pd7 Pd8 116.047(17) . .
N3 Pd8 O82 176.36(16) . .
N3 Pd8 O72 89.52(19) . .
O82 Pd8 O72 91.34(17) . .
N3 Pd8 O14 88.43(18) . .
O82 Pd8 O14 90.93(17) . .
O72 Pd8 O14 175.91(17) . .
N3 Pd8 Pd7 97.93(12) . .
O82 Pd8 Pd7 85.68(11) . .
O72 Pd8 Pd7 84.04(10) . .
O14 Pd8 Pd7 92.73(10) . .
O1 C1 Pd2 137.2(5) . .
O1 C1 Pd3 137.8(5) . .
Pd2 C1 Pd3 84.9(3) . .
O2 C2 Pd2 137.8(5) . .
O2 C2 Pd3 136.7(5) . .
Pd2 C2 Pd3 85.4(3) . .
O3 C3 Pd6 137.7(5) . .
O3 C3 Pd7 137.6(5) . .
Pd6 C3 Pd7 84.7(2) . .
O4 C4 Pd7 136.5(5) . .
O4 C4 Pd6 138.4(5) . .
Pd7 C4 Pd6 85.1(2) . .
O14 N1 O13 117.9(5) . .
O14 N1 Pd1 118.8(3) . .
O13 N1 Pd1 122.9(4) . .
N1 O14 Pd8 120.2(3) . .
O24 N2 O23 116.8(4) . .
O24 N2 Pd5 119.7(3) . .
O23 N2 Pd5 123.2(3) . .
N2 O24 Pd1 118.9(3) . .
O34 N3 O33 118.1(5) . .
O34 N3 Pd8 118.2(4) . .
O33 N3 Pd8 123.4(4) . .
N3 O34 Pd4 120.2(3) . .
O44 N4 O43 117.3(5) . .
O44 N4 Pd4 118.7(4) . .
O43 N4 Pd4 123.8(4) . .
N4 O44 Pd5 121.1(4) . .
O12 C11 O11 125.4(5) . .
O12 C11 C12 117.8(5) . .
O11 C11 C12 116.8(5) . .
C17 C12 C18 113(2) . .
C13 C12 C14 112.5(7) . .
C17 C12 C11 111.2(12) . .
C18 C12 C11 110.8(16) . .
C13 C12 C11 110.5(6) . .
C14 C12 C11 109.8(6) . .
C13 C12 C15 109.6(8) . .
C14 C12 C15 109.3(7) . .
C11 C12 C15 104.8(6) . .
C17 C12 C16 116(2) . .
C18 C12 C16 103(2) . .
C11 C12 C16 101.5(18) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
C12 C16 H16A 109.5 . .
C12 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C12 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C12 C17 H17A 109.5 . .
C12 C17 H17B 109.5 . .
C12 C17 H17C 109.5 . .
C12 C18 H18A 109.5 . .
C12 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C12 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C11 O11 Pd1 124.3(3) . .
C11 O12 Pd2 127.5(4) . .
O22 C21 O21 126.5(5) . .
O22 C21 C22 117.5(5) . .
O21 C21 C22 116.0(5) . .
C25 C22 C23 110.4(7) . .
C25 C22 C24 110.3(8) . .
C23 C22 C24 108.4(7) . .
C25 C22 C21 106.3(7) . .
C23 C22 C21 109.5(7) . .
C24 C22 C21 112.0(5) . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C22 C25 H25A 109.5 . .
C22 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C22 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C21 O21 Pd1 121.7(4) . .
C21 O22 Pd2 128.1(4) . .
O31 C31 O32 126.3(5) . .
O31 C31 C32 117.4(5) . .
O32 C31 C32 116.3(5) . .
C34 C32 C31 113.2(8) . .
C37 C32 C31 113.6(9) . .
C34 C32 C35 126.8(12) . .
C31 C32 C35 109.5(10) . .
C37 C32 C38 116.4(12) . .
C31 C32 C38 113.0(10) . .
C34 C32 C33 99.4(10) . .
C31 C32 C33 104.6(8) . .
C35 C32 C33 98.9(11) . .
C34 C32 C36 80.7(11) . .
C37 C32 C36 104.1(11) . .
C31 C32 C36 100.5(9) . .
C38 C32 C36 107.3(12) . .
C32 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
C32 C33 H33C 109.5 . .
C32 C34 H34A 109.5 . .
C32 C34 H34B 109.5 . .
C32 C34 H34C 109.5 . .
C32 C35 H35A 109.5 . .
C32 C35 H35B 109.5 . .
C32 C35 H35C 109.5 . .
C32 C36 H36A 109.5 . .
C32 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C32 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C32 C37 H37A 109.5 . .
C32 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C32 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C32 C38 H38A 109.5 . .
C32 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C32 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C31 O31 Pd3 129.5(4) . .
C31 O32 Pd4 121.6(4) . .
O41 C41 O42 124.9(5) . .
O41 C41 C42 117.8(5) . .
O42 C41 C42 117.3(5) . .
C43 C42 C45 112.5(7) . .
C43 C42 C41 112.8(6) . .
C45 C42 C41 110.9(6) . .
C43 C42 C44 107.8(7) . .
C45 C42 C44 108.0(6) . .
C41 C42 C44 104.3(6) . .
C42 C43 H43A 109.5 . .
C42 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C42 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C42 C44 H44A 109.5 . .
C42 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C42 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C42 C45 H45A 109.5 . .
C42 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C42 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C41 O41 Pd3 128.8(4) . .
C41 O42 Pd4 124.5(4) . .
O52 C51 O51 124.2(5) . .
O52 C51 C52 118.1(5) . .
O51 C51 C52 117.5(5) . .
C55 C52 C54 115.2(7) . .
C55 C52 C51 109.9(6) . .
C54 C52 C51 111.1(6) . .
C55 C52 C53 106.2(6) . .
C54 C52 C53 108.2(7) . .
C51 C52 C53 105.8(6) . .
C52 C53 H53A 109.5 . .
C52 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C52 C53 H53C 109.5 . .
H53A C53 H53C 109.5 . .
H53B C53 H53C 109.5 . .
C52 C54 H54A 109.5 . .
C52 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C52 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C52 C55 H55A 109.5 . .
C52 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C52 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C51 O51 Pd5 123.5(4) . .
C51 O52 Pd6 129.7(4) . .
O62 C61 O61 125.6(5) . .
O62 C61 C62 117.2(6) . .
O61 C61 C62 117.2(6) . .
C64 C62 C61 110.2(7) . .
C64 C62 C65 111.3(8) . .
C61 C62 C65 107.9(7) . .
C64 C62 C63 108.7(8) . .
C61 C62 C63 110.9(6) . .
C65 C62 C63 107.9(7) . .
C62 C63 H63A 109.5 . .
C62 C63 H63B 109.5 . .
H63A C63 H63B 109.5 . .
C62 C63 H63C 109.5 . .
H63A C63 H63C 109.5 . .
H63B C63 H63C 109.5 . .
C62 C64 H64A 109.5 . .
C62 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C62 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C62 C65 H65A 109.5 . .
C62 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C62 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C61 O61 Pd5 123.8(4) . .
C61 O62 Pd6 127.5(4) . .
O71 C71 O72 126.4(5) . .
O71 C71 C72 117.4(5) . .
O72 C71 C72 116.2(5) . .
C75 C72 C71 112.1(6) . .
C75 C72 C73 110.4(7) . .
C71 C72 C73 109.1(6) . .
C75 C72 C74 109.6(7) . .
C71 C72 C74 106.8(6) . .
C73 C72 C74 108.7(7) . .
C72 C73 H73A 109.5 . .
C72 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
C72 C73 H73C 109.5 . .
H73A C73 H73C 109.5 . .
H73B C73 H73C 109.5 . .
C72 C74 H74A 109.5 . .
C72 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
C72 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
C72 C75 H75A 109.5 . .
C72 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
C72 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
C71 O71 Pd7 126.8(4) . .
C71 O72 Pd8 123.6(3) . .
O81 C81 O82 125.9(5) . .
O81 C81 C82 119.1(5) . .
O82 C81 C82 114.9(5) . .
C83 C82 C81 107.6(6) . .
C83 C82 C84 109.4(6) . .
C81 C82 C84 111.3(6) . .
C83 C82 C85 109.5(6) . .
C81 C82 C85 109.8(5) . .
C84 C82 C85 109.2(7) . .
C82 C83 H83A 109.5 . .
C82 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
C82 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
C82 C84 H84A 109.5 . .
C82 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
C82 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
C82 C85 H85A 109.5 . .
C82 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
C82 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
C81 O81 Pd7 128.1(4) . .
C81 O82 Pd8 122.8(3) . .
C93 C91 C92 120.8(7) 3_665 .
C93 C91 H91A 119.6 3_665 .
C92 C91 H91A 119.6 . .
C93 C92 C91 119.8(6) . .
C93 C92 H92A 120.1 . .
C91 C92 H92A 120.1 . .
C91 C93 C92 119.4(6) 3_665 .
C91 C93 C90 121.3(13) 3_665 .
C92 C93 C90 119.3(13) . .
C91 C93 H93A 120.3 3_665 .
C92 C93 H93A 120.3 . .
C93 C90 H90A 109.5 . .
C93 C90 H90B 109.5 . .
C93 C90 H90C 109.5 . .
C95 C94 C96 118.2(7) . 3_575
C95 C94 C100 129.8(13) . .
C96 C94 C100 112.0(12) 3_575 .
C95 C94 H94A 120.9 . .
C96 C94 H94A 120.9 3_575 .
C94 C95 C96 121.0(8) . .
C94 C95 H95A 119.5 . .
C96 C95 H95A 119.5 . .
C94 C96 C95 120.9(8) 3_575 .
C94 C96 H96A 119.6 3_575 .
C95 C96 H96A 119.6 . .
C94 C100 H10G 109.5 . .
C94 C100 H10H 109.5 . .
C94 C100 H10I 109.5 . .
C98 C97 H97A 109.5 . .
C98 C97 H97B 109.5 . .
H97A C97 H97B 109.5 . .
C98 C97 H97C 109.5 . .
H97A C97 H97C 109.5 . .
H97B C97 H97C 109.5 . .
C99 C98 C97 104.9(15) . .
C99 C98 H98A 110.8 . .
C97 C98 H98A 110.8 . .
C99 C98 H98B 110.8 . .
C97 C98 H98B 110.8 . .
H98A C98 H98B 108.9 . .
C98 C99 C99 95.2(15) . 3_675
C98 C99 H99A 112.7 . .
C99 C99 H99A 112.7 3_675 .
C98 C99 H99B 112.7 . .
C99 C99 H99B 112.7 3_675 .
H99A C99 H99B 110.2 . .
C102 C101 C106 117.9(14) . .
C102 C101 H10A 121.0 . .
C106 C101 H10A 121.0 . .
C101 C102 C103 121.6(14) . .
C101 C102 H10B 119.2 . .
C103 C102 H10B 119.2 . .
C104 C103 C102 122.1(14) . .
C104 C103 H10C 118.9 . .
C102 C103 H10C 118.9 . .
C103 C104 C105 117.5(14) . .
C103 C104 H10D 121.2 . .
C105 C104 H10D 121.2 . .
C106 C105 C104 118.6(13) . .
C106 C105 H10E 120.7 . .
C104 C105 H10E 120.7 . .
C101 C106 C105 122.2(14) . .
C101 C106 H10F 118.9 . .
C105 C106 H10F 118.9 . .
C205 C200 C201 120(2) . .
C205 C200 H20A 120.2 . .
C201 C200 H20A 120.2 . .
C200 C201 C202 117(2) . .
C200 C201 H20B 121.7 . .
C202 C201 H20B 121.7 . .
C203 C202 C201 127(2) . .
C203 C202 H20C 116.5 . .
C201 C202 H20C 116.5 . .
C204 C203 C202 105.1(17) . .
C204 C203 H20D 127.4 . .
C202 C203 H20D 127.4 . .
C205 C204 C203 128(2) . .
C205 C204 H20E 116.2 . .
C203 C204 H20E 116.2 . .
C200 C205 C204 124(3) . .
C200 C205 H20F 118.2 . .
C204 C205 H20F 118.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N1 1.977(5) .
Pd1 O11 1.986(4) .
Pd1 O21 1.998(4) .
Pd1 O24 2.014(4) .
Pd1 Pd2 2.8471(5) .
Pd2 C2 1.958(6) .
Pd2 C1 1.974(6) .
Pd2 O12 2.096(4) .
Pd2 O22 2.113(4) .
Pd2 Pd3 2.6664(6) .
Pd3 C2 1.975(6) .
Pd3 C1 1.976(6) .
Pd3 O41 2.099(4) .
Pd3 O31 2.109(4) .
Pd3 Pd4 2.8730(6) .
Pd4 O32 1.985(4) .
Pd4 N4 1.986(5) .
Pd4 O42 1.996(4) .
Pd4 O34 2.022(4) .
Pd5 O61 1.981(3) .
Pd5 N2 1.984(4) .
Pd5 O51 1.993(4) .
Pd5 O44 2.009(4) .
Pd5 Pd6 2.8833(6) .
Pd6 C4 1.970(6) .
Pd6 C3 1.974(5) .
Pd6 O62 2.097(4) .
Pd6 O52 2.103(4) .
Pd6 Pd7 2.6642(6) .
Pd7 C4 1.969(5) .
Pd7 C3 1.982(6) .
Pd7 O71 2.108(4) .
Pd7 O81 2.121(4) .
Pd7 Pd8 2.8454(5) .
Pd8 N3 1.968(5) .
Pd8 O82 1.990(4) .
Pd8 O72 2.000(4) .
Pd8 O14 2.036(4) .
C1 O1 1.132(7) .
C2 O2 1.145(7) .
C3 O3 1.131(6) .
C4 O4 1.131(6) .
N1 O14 1.231(5) .
N1 O13 1.239(6) .
N2 O24 1.234(5) .
N2 O23 1.244(6) .
N3 O34 1.227(6) .
N3 O33 1.243(6) .
N4 O44 1.239(6) .
N4 O43 1.251(6) .
C11 O12 1.253(6) .
C11 O11 1.255(7) .
C11 C12 1.538(8) .
C12 C17 1.44(3) .
C12 C18 1.47(4) .
C12 C13 1.505(12) .
C12 C14 1.514(12) .
C12 C15 1.560(13) .
C12 C16 1.62(4) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C21 O22 1.240(7) .
C21 O21 1.268(6) .
C21 C22 1.524(9) .
C22 C25 1.497(13) .
C22 C23 1.499(11) .
C22 C24 1.512(10) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C31 O31 1.234(7) .
C31 O32 1.264(7) .
C31 C32 1.520(9) .
C32 C34 1.511(12) .
C32 C37 1.519(13) .
C32 C35 1.544(13) .
C32 C38 1.548(13) .
C32 C33 1.605(12) .
C32 C36 1.617(13) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C41 O41 1.247(7) .
C41 O42 1.258(7) .
C41 C42 1.545(8) .
C42 C43 1.471(11) .
C42 C45 1.492(10) .
C42 C44 1.560(11) .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 H45A 0.9800 .
C45 H45B 0.9800 .
C45 H45C 0.9800 .
C51 O52 1.257(7) .
C51 O51 1.267(6) .
C51 C52 1.517(8) .
C52 C55 1.484(10) .
C52 C54 1.489(11) .
C52 C53 1.587(11) .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C53 H53C 0.9800 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C61 O62 1.247(7) .
C61 O61 1.255(7) .
C61 C62 1.521(8) .
C62 C64 1.440(13) .
C62 C65 1.530(13) .
C62 C63 1.532(11) .
C63 H63A 0.9800 .
C63 H63B 0.9800 .
C63 H63C 0.9800 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C71 O71 1.227(6) .
C71 O72 1.251(7) .
C71 C72 1.533(8) .
C72 C75 1.515(10) .
C72 C73 1.556(13) .
C72 C74 1.563(12) .
C73 H73A 0.9800 .
C73 H73B 0.9800 .
C73 H73C 0.9800 .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C75 H75A 0.9800 .
C75 H75B 0.9800 .
C75 H75C 0.9800 .
C81 O81 1.235(6) .
C81 O82 1.255(6) .
C81 C82 1.512(8) .
C82 C83 1.508(11) .
C82 C84 1.532(11) .
C82 C85 1.542(10) .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C84 H84A 0.9800 .
C84 H84B 0.9800 .
C84 H84C 0.9800 .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C91 C93 1.359(9) 3_665
C91 C92 1.379(10) .
C91 H91A 0.9500 .
C92 C93 1.378(10) .
C92 H92A 0.9500 .
C93 C91 1.359(9) 3_665
C93 C90 1.59(3) .
C93 H93A 0.9500 .
C90 H90A 0.9800 .
C90 H90B 0.9800 .
C90 H90C 0.9800 .
C94 C95 1.371(11) .
C94 C96 1.372(11) 3_575
C94 C100 1.68(3) .
C94 H94A 0.9500 .
C95 C96 1.372(11) .
C95 H95A 0.9500 .
C96 C94 1.372(11) 3_575
C96 H96A 0.9500 .
C100 H10G 0.9800 .
C100 H10H 0.9800 .
C100 H10I 0.9800 .
C97 C98 1.55(2) .
C97 H97A 0.9800 .
C97 H97B 0.9800 .
C97 H97C 0.9800 .
C98 C99 1.548(19) .
C98 H98A 0.9900 .
C98 H98B 0.9900 .
C99 C99 1.58(2) 3_675
C99 H99A 0.9900 .
C99 H99B 0.9900 .
C101 C102 1.329(13) .
C101 C106 1.353(13) .
C101 H10A 0.9500 .
C102 C103 1.360(14) .
C102 H10B 0.9500 .
C103 C104 1.338(13) .
C103 H10C 0.9500 .
C104 C105 1.398(14) .
C104 H10D 0.9500 .
C105 C106 1.376(14) .
C105 H10E 0.9500 .
C106 H10F 0.9500 .
C200 C205 1.23(3) .
C200 C201 1.40(3) .
C200 H20A 0.9500 .
C201 C202 1.46(3) .
C201 H20B 0.9500 .
C202 C203 1.45(3) .
C202 H20C 0.9500 .
C203 C204 1.42(3) .
C203 H20D 0.9500 .
C204 C205 1.40(3) .
C204 H20E 0.9500 .
C205 H20F 0.9500 .
