#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:14:48 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179368 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/65/4326550.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_4326550
loop_
_publ_author_name
'Natalya V. Izarova'
'Abhishek Banerjee'
'Ulrich Kortz'
_publ_contact_author_address
;Jacobs University
School of Engineering and Science
P.O. Box 750 561
28725 Bremen
Germany
;
_publ_contact_author_email       u.kortz@jacobs-university.de
_publ_contact_author_fax         '+49-421-200 3229'
_publ_contact_author_name        'Ulrich Kortz'
_publ_contact_author_phone       '+49-421-200 3235'
_publ_section_title
;
 Noble Metals in Polyoxometalate Chemistry: Palladium-Containing
 Derivatives of the Monolacunary Keggin and Wells-Dawson Tungstophosphates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10379
_journal_page_last               10386
_journal_paper_doi               10.1021/ic201451x
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'H38 K12 N2 O103 P2 Pd2 W22'
_chemical_formula_weight         6502.96
_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_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.693(4)
_cell_angle_beta                 95.868(4)
_cell_angle_gamma                108.256(3)
_cell_formula_units_Z            1
_cell_length_a                   11.7571(7)
_cell_length_b                   12.1709(7)
_cell_length_c                   18.5502(11)
_cell_measurement_reflns_used    9973
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.30
_cell_measurement_theta_min      2.36
_cell_volume                     2343.7(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0819
_diffrn_reflns_av_sigmaI/netI    0.0472
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            108499
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.43
_exptl_absorpt_coefficient_mu    27.937
_exptl_absorpt_correction_T_max  0.1574
_exptl_absorpt_correction_T_min  0.0191
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    4.607
_exptl_crystal_description       rode
_exptl_crystal_F_000             2854
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.11
_refine_diff_density_max         5.382
_refine_diff_density_min         -2.908
_refine_diff_density_rms         0.564
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         11461
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0853
_refine_ls_R_factor_gt           0.0672
_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)+(0.0887P)²+147.5873P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1857
_refine_ls_wR_factor_ref         0.1979
_reflns_number_gt                8990
_reflns_number_total             11461
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201451x_si_002_2.cif
_cod_data_source_block           K-1N
_cod_original_cell_volume        2343.7(2)
_cod_database_code               4326550
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
Pd1 Pd -0.55037(14) 0.36042(14) 0.96886(9) 0.0290(3) Uani 1 1 d .
W1 W -0.28255(8) 0.50474(8) 0.59956(5) 0.03096(19) Uani 1 1 d .
W2 W -0.18795(8) 0.34344(7) 0.69986(5) 0.02956(19) Uani 1 1 d .
W3 W -0.07045(8) 0.65996(7) 0.77159(5) 0.02946(19) Uani 1 1 d .
W4 W -0.60563(8) 0.33283(8) 0.59629(5) 0.03075(19) Uani 1 1 d .
W5 W -0.48349(8) 0.67478(8) 0.67282(5) 0.0317(2) Uani 1 1 d .
W6 W -0.50818(8) 0.17147(7) 0.69561(5) 0.03018(19) Uani 1 1 d .
W7 W -0.26723(8) 0.83219(8) 0.84349(5) 0.03164(19) Uani 1 1 d .
W8 W -0.28594(8) 0.34544(7) 0.88647(5) 0.02825(18) Uani 1 1 d .
W9 W -0.17315(8) 0.65763(7) 0.95677(5) 0.02826(18) Uani 1 1 d .
W10 W -0.68517(8) 0.33520(8) 0.77258(5) 0.0322(2) Uani 1 1 d .
W11 W -0.56375(8) 0.67303(8) 0.84840(5) 0.03182(19) Uani 1 1 d .
P1 P -0.3791(4) 0.5032(4) 0.7764(2) 0.0177(8) Uani 1 1 d .
O1T O -0.2654(13) 0.5016(13) 0.5079(9) 0.032(3) Uiso 1 1 d .
O0D1 O -0.6040(13) 0.3636(13) 0.8663(8) 0.029(3) Uiso 1 1 d .
O2T O -0.1067(14) 0.2465(14) 0.6732(9) 0.033(3) Uiso 1 1 d .
O3T O 0.0791(14) 0.7563(14) 0.7885(9) 0.036(3) Uiso 1 1 d .
O4T O -0.6962(15) 0.2750(15) 0.5046(10) 0.041(4) Uiso 1 1 d .
O5T O -0.5323(14) 0.7352(15) 0.6095(9) 0.037(3) Uiso 1 1 d .
O6T O -0.5399(15) 0.0146(15) 0.6661(10) 0.039(3) Uiso 1 1 d .
O7T O -0.1875(15) 0.9862(15) 0.8840(9) 0.038(3) Uiso 1 1 d .
O8T O -0.2261(14) 0.2456(14) 0.9118(9) 0.033(3) Uiso 1 1 d .
O9T O -0.0409(14) 0.7555(14) 1.0266(9) 0.035(3) Uiso 1 1 d .
O10T O -0.8381(16) 0.2728(16) 0.7748(11) 0.046(4) Uiso 1 1 d .
O1P1 O -0.3317(12) 0.5011(12) 0.8567(8) 0.027(3) Uiso 1 1 d .
O1D1 O -0.5031(14) 0.6425(14) 0.9286(9) 0.033(3) Uiso 1 1 d .
O011 O -0.6609(14) 0.5048(14) 0.7888(9) 0.035(3) Uiso 1 1 d .
O11T O -0.6661(16) 0.7377(16) 0.8791(10) 0.044(4) Uiso 1 1 d .
O12 O -0.2196(14) 0.3805(14) 0.6070(9) 0.036(3) Uiso 1 1 d .
O13 O -0.1291(14) 0.6264(14) 0.6615(9) 0.034(3) Uiso 1 1 d .
O14 O -0.4426(13) 0.3826(14) 0.5781(9) 0.032(3) Uiso 1 1 d .
O2P1 O -0.4107(13) 0.6190(13) 0.7836(8) 0.029(3) Uiso 1 1 d .
O23 O -0.0527(13) 0.5040(13) 0.7386(9) 0.032(3) Uiso 1 1 d .
O25 O -0.3535(14) 0.6253(14) 0.6325(9) 0.032(3) Uiso 1 1 d .
O26 O -0.3556(13) 0.2315(13) 0.6681(8) 0.029(3) Uiso 1 1 d .
O28 O -0.1958(12) 0.3539(12) 0.8008(8) 0.025(3) Uiso 1 1 d .
O3P1 O -0.2792(13) 0.5030(13) 0.7279(8) 0.028(3) Uiso 1 1 d .
O37 O -0.1588(14) 0.7734(14) 0.7905(9) 0.033(3) Uiso 1 1 d .
O39 O -0.0854(12) 0.6508(12) 0.8679(8) 0.025(3) Uiso 1 1 d .
O4P1 O -0.4932(13) 0.3857(14) 0.7309(9) 0.032(3) Uiso 1 1 d .
O45 O -0.5810(13) 0.5055(13) 0.6289(8) 0.031(3) Uiso 1 1 d .
O46 O -0.5780(13) 0.1873(14) 0.6029(9) 0.032(3) Uiso 1 1 d .
O57 O -0.3514(14) 0.8192(14) 0.7449(9) 0.036(3) Uiso 1 1 d .
O68 O -0.4165(13) 0.2286(13) 0.7983(8) 0.030(3) Uiso 1 1 d .
O79 O -0.2215(14) 0.7754(14) 0.9193(9) 0.033(3) Uiso 1 1 d .
O8D1 O -0.3914(13) 0.3566(13) 0.9467(9) 0.031(3) Uiso 1 1 d .
O89 O -0.1593(13) 0.4999(13) 0.9494(8) 0.032(3) Uiso 1 1 d .
O9D1 O -0.2889(14) 0.6462(14) 1.0122(9) 0.033(3) Uiso 1 1 d .
O410 O -0.7192(14) 0.3097(14) 0.6578(9) 0.033(3) Uiso 1 1 d .
O511 O -0.5803(14) 0.6994(14) 0.7468(9) 0.034(3) Uiso 1 1 d .
O610 O -0.6521(14) 0.1811(14) 0.7304(9) 0.033(3) Uiso 1 1 d .
O711 O -0.4184(13) 0.8235(14) 0.8746(9) 0.032(3) Uiso 1 1 d .
K1 K -0.0519(4) 0.2034(5) 0.8229(3) 0.0350(10) Uani 1 1 d .
K2 K 0.1674(4) 0.8069(5) 0.9589(3) 0.0358(10) Uani 1 1 d .
K3 K -0.4202(5) 0.1582(5) 0.4922(3) 0.0440(12) Uani 1 1 d .
K4 K -0.7132(5) 0.8462(5) 0.7298(4) 0.0498(13) Uani 1 1 d .
K5 K 0.0468(7) 0.1978(7) 0.5825(4) 0.0672(18) Uani 1 1 d .
K6 K 0.1314(7) 0.1447(6) 0.3605(4) 0.0613(17) Uani 1 1 d .
N1 N -0.240(2) 0.029(2) 0.5271(16) 0.060(6) Uiso 1 1 d .
O1N O -0.3373(17) 0.0061(17) 0.5529(11) 0.048(4) Uiso 1 1 d .
O2N O -0.215(2) 0.098(2) 0.4880(13) 0.065(6) Uiso 1 1 d .
O3N O -0.155(3) -0.012(3) 0.5454(16) 0.082(7) Uiso 1 1 d .
O1W O -0.2441(18) 0.0284(18) 0.7095(12) 0.054(5) Uiso 1 1 d .
O2W O -0.5106(19) 1.0083(19) 0.8501(12) 0.058(5) Uiso 1 1 d .
O3W O 0.3491(19) 1.0274(19) 0.9610(12) 0.058(5) Uiso 1 1 d .
O4W O 0.043(2) 0.292(2) 0.4727(14) 0.072(6) Uiso 1 1 d .
O5W O 0.021(2) 0.008(2) 0.7879(14) 0.066(6) Uiso 1 1 d .
O6W O -0.837(2) 0.654(2) 0.5951(15) 0.074(6) Uiso 1 1 d .
O7W O 0.145(2) 0.482(2) 0.6670(15) 0.075(6) Uiso 1 1 d .
O8W O 0.079(3) 0.503(3) 0.9008(17) 0.085(7) Uiso 1 1 d .
O9W O 0.076(3) 0.989(3) 0.9378(18) 0.036(7) Uiso 0.50 1 d P
O10W O -0.107(3) -0.004(3) 0.377(2) 0.042(7) Uiso 0.50 1 d P
O11W O -0.744(4) 1.052(4) 0.828(2) 0.056(10) Uiso 0.50 1 d P
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'
K K 0.2009 0.2494 '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'
W W -0.8490 6.8722 '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
O9D1 Pd1 O1D1 91.9(6) 2_467 2_467
O9D1 Pd1 O0D1 88.0(6) 2_467 .
O1D1 Pd1 O0D1 179.9(7) 2_467 .
O9D1 Pd1 O8D1 176.7(6) 2_467 .
O1D1 Pd1 O8D1 88.4(6) 2_467 .
O0D1 Pd1 O8D1 91.7(6) . .
O9D1 Pd1 Pd1 92.1(4) 2_467 2_467
O1D1 Pd1 Pd1 90.9(4) 2_467 2_467
O0D1 Pd1 Pd1 89.0(4) . 2_467
O8D1 Pd1 Pd1 91.2(4) . 2_467
O1T W1 O25 103.5(7) . .
O1T W1 O13 101.4(7) . .
O25 W1 O13 88.0(6) . .
O1T W1 O14 101.7(7) . .
O25 W1 O14 87.5(6) . .
O13 W1 O14 156.9(6) . .
O1T W1 O12 100.1(7) . .
O25 W1 O12 156.4(6) . .
O13 W1 O12 88.1(7) . .
O14 W1 O12 87.0(6) . .
O1T W1 O3P1 171.6(6) . .
O25 W1 O3P1 83.4(6) . .
O13 W1 O3P1 73.9(6) . .
O14 W1 O3P1 83.1(6) . .
O12 W1 O3P1 73.1(6) . .
O1T W1 K3 81.0(5) . .
O25 W1 K3 132.4(5) . .
O13 W1 K3 138.3(5) . .
O14 W1 K3 46.1(5) . .
O12 W1 K3 51.1(5) . .
O3P1 W1 K3 97.8(3) . .
O1T W1 K6 79.7(5) . 2_566
O25 W1 K6 53.3(5) . 2_566
O13 W1 K6 47.7(5) . 2_566
O14 W1 K6 139.0(5) . 2_566
O12 W1 K6 133.6(5) . 2_566
O3P1 W1 K6 101.3(4) . 2_566
K3 W1 K6 160.65(14) . 2_566
O2T W2 O28 103.3(6) . .
O2T W2 O26 103.3(7) . .
O28 W2 O26 88.1(6) . .
O2T W2 O12 102.2(7) . .
O28 W2 O12 154.6(6) . .
O26 W2 O12 86.1(6) . .
O2T W2 O23 99.8(7) . .
O28 W2 O23 90.0(6) . .
O26 W2 O23 156.6(6) . .
O12 W2 O23 85.7(6) . .
O2T W2 O3P1 170.2(6) . .
O28 W2 O3P1 83.6(5) . .
O26 W2 O3P1 83.8(5) . .
O12 W2 O3P1 71.2(6) . .
O23 W2 O3P1 72.8(5) . .
O2T W2 K1 52.7(5) . .
O28 W2 K1 50.7(4) . .
O26 W2 K1 100.8(4) . .
O12 W2 K1 154.7(5) . .
O23 W2 K1 95.9(4) . .
O3P1 W2 K1 133.4(3) . .
O2T W2 K3 88.8(5) . .
O28 W2 K3 135.4(4) . .
O26 W2 K3 47.2(4) . .
O12 W2 K3 45.2(5) . .
O23 W2 K3 130.7(4) . .
O3P1 W2 K3 91.2(3) . .
K1 W2 K3 125.93(11) . .
O3T W3 O39 102.7(7) . .
O3T W3 O23 100.3(7) . .
O39 W3 O23 90.9(6) . .
O3T W3 O37 103.2(7) . .
O39 W3 O37 87.5(6) . .
O23 W3 O37 156.2(6) . .
O3T W3 O13 102.0(7) . .
O39 W3 O13 155.3(6) . .
O23 W3 O13 86.2(6) . .
O37 W3 O13 85.4(6) . .
O3T W3 O3P1 170.9(6) . .
O39 W3 O3P1 84.3(5) . .
O23 W3 O3P1 73.6(6) . .
O37 W3 O3P1 82.6(6) . .
O13 W3 O3P1 71.3(6) . .
O3T W3 K2 52.1(5) . .
O39 W3 K2 50.6(4) . .
O23 W3 K2 97.7(5) . .
O37 W3 K2 99.6(5) . .
O13 W3 K2 154.0(5) . .
O3P1 W3 K2 134.4(3) . .
O3T W3 K6 83.2(5) . 2_566
O39 W3 K6 139.6(4) . 2_566
O23 W3 K6 127.8(5) . 2_566
O37 W3 K6 52.6(5) . 2_566
O13 W3 K6 43.1(5) . 2_566
O3P1 W3 K6 95.2(3) . 2_566
K2 W3 K6 122.35(12) . 2_566
O4T W4 O410 103.0(7) . .
O4T W4 O45 102.6(7) . .
O410 W4 O45 90.2(6) . .
O4T W4 O14 102.8(7) . .
O410 W4 O14 154.1(6) . .
O45 W4 O14 85.3(6) . .
O4T W4 O46 101.2(7) . .
O410 W4 O46 88.4(6) . .
O45 W4 O46 155.8(6) . .
O14 W4 O46 85.5(6) . .
O4T W4 O4P1 171.1(7) . .
O410 W4 O4P1 71.5(6) . .
O45 W4 O4P1 84.6(6) . .
O14 W4 O4P1 82.7(6) . .
O46 W4 O4P1 72.1(6) . .
O4T W4 K3 82.2(6) . .
O410 W4 K3 137.4(5) . .
O45 W4 K3 130.5(4) . .
O14 W4 K3 46.4(5) . .
O46 W4 K3 49.6(4) . .
O4P1 W4 K3 97.1(4) . .
O4T W4 K5 64.4(6) . 1_455
O410 W4 K5 38.6(5) . 1_455
O45 W4 K5 99.6(4) . 1_455
O14 W4 K5 167.0(5) . 1_455
O46 W4 K5 94.3(5) . 1_455
O4P1 W4 K5 109.6(4) . 1_455
K3 W4 K5 125.32(14) . 1_455
O5T W5 O45 103.5(7) . .
O5T W5 O511 102.2(7) . .
O45 W5 O511 90.9(6) . .
O5T W5 O57 100.8(7) . .
O45 W5 O57 155.4(6) . .
O511 W5 O57 87.5(7) . .
O5T W5 O25 104.1(7) . .
O45 W5 O25 85.5(6) . .
O511 W5 O25 153.5(6) . .
O57 W5 O25 85.1(6) . .
O5T W5 O2P1 170.1(6) . .
O45 W5 O2P1 84.1(5) . .
O511 W5 O2P1 71.0(6) . .
O57 W5 O2P1 72.2(6) . .
O25 W5 O2P1 82.5(5) . .
O5T W5 K4 62.6(5) . .
O45 W5 K4 105.5(5) . .
O511 W5 K4 40.1(5) . .
O57 W5 K4 88.9(5) . .
O25 W5 K4 164.2(4) . .
O2P1 W5 K4 109.5(3) . .
O6T W6 O68 102.3(7) . .
O6T W6 O610 101.0(7) . .
O68 W6 O610 92.1(6) . .
O6T W6 O26 102.7(7) . .
O68 W6 O26 86.4(6) . .
O610 W6 O26 156.0(6) . .
O6T W6 O46 101.6(7) . .
O68 W6 O46 155.9(6) . .
O610 W6 O46 86.6(6) . .
O26 W6 O46 85.1(6) . .
O6T W6 O4P1 172.2(6) . .
O68 W6 O4P1 82.8(6) . .
O610 W6 O4P1 72.7(6) . .
O26 W6 O4P1 83.4(6) . .
O46 W6 O4P1 73.8(6) . .
O6T W6 K3 87.6(6) . .
O68 W6 K3 134.2(4) . .
O610 W6 K3 130.3(5) . .
O26 W6 K3 47.9(4) . .
O46 W6 K3 43.9(5) . .
O4P1 W6 K3 93.1(4) . .
O7T W7 O79 102.3(7) . .
O7T W7 O37 102.8(7) . .
O79 W7 O37 87.3(7) . .
O7T W7 O711 100.4(7) . .
O79 W7 O711 90.8(7) . .
O37 W7 O711 156.6(7) . .
O7T W7 O57 101.4(7) . .
O79 W7 O57 156.3(7) . .
O37 W7 O57 87.1(7) . .
O711 W7 O57 85.4(6) . .
O7T W7 O2P1 171.0(6) . .
O79 W7 O2P1 82.7(6) . .
O37 W7 O2P1 84.8(6) . .
O711 W7 O2P1 71.8(6) . .
O57 W7 O2P1 73.9(6) . .
O8T W8 O8D1 102.2(7) . .
O8T W8 O89 99.2(7) . .
O8D1 W8 O89 95.6(7) . .
O8T W8 O68 100.3(7) . .
O8D1 W8 O68 91.4(7) . .
O89 W8 O68 157.4(6) . .
O8T W8 O28 94.7(6) . .
O8D1 W8 O28 162.5(6) . .
O89 W8 O28 86.5(6) . .
O68 W8 O28 80.5(6) . .
O8T W8 O1P1 170.3(6) . .
O8D1 W8 O1P1 83.9(6) . .
O89 W8 O1P1 72.5(6) . .
O68 W8 O1P1 87.1(5) . .
O28 W8 O1P1 80.2(5) . .
O8T W8 K1 44.6(5) . .
O8D1 W8 K1 146.8(5) . .
O89 W8 K1 91.6(5) . .
O68 W8 K1 94.2(4) . .
O28 W8 K1 50.2(4) . .
O1P1 W8 K1 129.1(3) . .
O9T W9 O9D1 102.6(7) . .
O9T W9 O89 99.1(7) . .
O9D1 W9 O89 95.8(7) . .
O9T W9 O79 101.6(7) . .
O9D1 W9 O79 91.1(7) . .
O89 W9 O79 156.2(6) . .
O9T W9 O39 93.6(6) . .
O9D1 W9 O39 163.1(6) . .
O89 W9 O39 86.3(6) . .
O79 W9 O39 80.8(6) . .
O9T W9 O1P1 169.5(6) . .
O9D1 W9 O1P1 83.7(6) . .
O89 W9 O1P1 71.7(6) . .
O79 W9 O1P1 86.5(6) . .
O39 W9 O1P1 81.0(5) . .
O9T W9 K2 43.8(5) . .
O9D1 W9 K2 146.3(5) . .
O89 W9 K2 92.9(4) . .
O79 W9 K2 93.9(5) . .
O39 W9 K2 49.8(4) . .
O1P1 W9 K2 129.7(3) . .
O10T W10 O0D1 104.6(8) . .
O10T W10 O011 102.9(8) . .
O0D1 W10 O011 95.8(7) . .
O10T W10 O610 99.7(7) . .
O0D1 W10 O610 90.6(6) . .
O011 W10 O610 154.1(6) . .
O10T W10 O410 94.6(7) . .
O0D1 W10 O410 160.0(6) . .
O011 W10 O410 85.2(6) . .
O610 W10 O410 80.6(6) . .
O10T W10 O4P1 163.7(7) . .
O0D1 W10 O4P1 89.6(6) . .
O011 W10 O4P1 83.2(6) . .
O610 W10 O4P1 71.8(6) . .
O410 W10 O4P1 70.6(6) . .
O10T W10 K5 58.0(6) . 1_455
O0D1 W10 K5 161.3(5) . 1_455
O011 W10 K5 95.0(5) . 1_455
O610 W10 K5 86.4(4) . 1_455
O410 W10 K5 36.7(4) . 1_455
O4P1 W10 K5 106.8(4) . 1_455
O11T W11 O1D1 104.9(8) . .
O11T W11 O011 104.6(8) . .
O1D1 W11 O011 95.4(7) . .
O11T W11 O711 99.4(7) . .
O1D1 W11 O711 90.3(7) . .
O011 W11 O711 153.0(6) . .
O11T W11 O511 94.1(7) . .
O1D1 W11 O511 160.2(7) . .
O011 W11 O511 85.0(6) . .
O711 W11 O511 81.0(6) . .
O11T W11 O2P1 163.7(7) . .
O1D1 W11 O2P1 89.1(6) . .
O011 W11 O2P1 82.1(6) . .
O711 W11 O2P1 71.6(6) . .
O511 W11 O2P1 71.3(5) . .
O11T W11 K4 57.2(6) . .
O1D1 W11 K4 158.7(5) . .
O011 W11 K4 100.1(5) . .
O711 W11 K4 82.5(4) . .
O511 W11 K4 37.5(4) . .
O2P1 W11 K4 107.3(3) . .
O2P1 P1 O4P1 109.6(8) . .
O2P1 P1 O1P1 111.7(8) . .
O4P1 P1 O1P1 110.5(8) . .
O2P1 P1 O3P1 108.1(8) . .
O4P1 P1 O3P1 107.1(8) . .
O1P1 P1 O3P1 109.7(8) . .
W10 O0D1 Pd1 165.7(9) . .
W2 O2T K5 142.5(8) . .
W2 O2T K1 100.2(6) . .
K5 O2T K1 111.5(5) . .
W3 O3T K4 148.9(8) . 1_655
W3 O3T K2 101.4(7) . .
K4 O3T K2 107.6(5) 1_655 .
W4 O4T K6 170.1(9) . 1_455
W5 O5T K3 172.8(9) . 2_466
W6 O6T K3 127.6(8) . 2_456
W6 O6T K4 123.2(8) . 1_545
K3 O6T K4 99.6(5) 2_456 1_545
W7 O7T K2 134.3(8) . 2_577
W7 O7T K1 136.0(8) . 1_565
K2 O7T K1 88.0(4) 2_577 1_565
W8 O8T K2 138.6(8) . 2_567
W8 O8T K1 109.9(7) . .
K2 O8T K1 105.1(5) 2_567 .
W9 O9T K1 137.2(8) . 2_567
W9 O9T K2 111.3(7) . .
K1 O9T K2 105.0(5) 2_567 .
W10 O10T K1 163.6(10) . 1_455
W10 O10T K5 96.6(7) . 1_455
K1 O10T K5 99.6(5) 1_455 1_455
P1 O1P1 W8 128.8(8) . .
P1 O1P1 W9 127.5(8) . .
W8 O1P1 W9 92.7(5) . .
W11 O1D1 Pd1 166.3(9) . 2_467
W11 O011 W10 145.8(9) . .
W11 O11T K2 163.2(10) . 1_455
W1 O12 W2 125.5(8) . .
W1 O12 K3 99.0(6) . .
W2 O12 K3 107.3(6) . .
W1 O13 W3 124.7(8) . .
W1 O13 K6 103.7(6) . 2_566
W3 O13 K6 109.8(6) . 2_566
W1 O14 W4 150.5(9) . .
W1 O14 K3 104.7(6) . .
W4 O14 K3 104.0(6) . .
P1 O2P1 W11 125.5(8) . .
P1 O2P1 W7 125.4(8) . .
W11 O2P1 W7 90.5(5) . .
P1 O2P1 W5 125.7(8) . .
W11 O2P1 W5 90.3(5) . .
W7 O2P1 W5 88.0(4) . .
W3 O23 W2 125.2(8) . .
W1 O25 W5 150.4(8) . .
W1 O25 K6 97.9(6) . 2_566
W5 O25 K6 111.1(6) . 2_566
W6 O26 W2 148.0(8) . .
W6 O26 K3 104.7(6) . .
W2 O26 K3 105.3(6) . .
W2 O28 W8 153.0(8) . .
W2 O28 K1 100.2(5) . .
W8 O28 K1 98.2(5) . .
P1 O3P1 W1 130.0(8) . .
P1 O3P1 W2 123.1(8) . .
W1 O3P1 W2 90.2(5) . .
P1 O3P1 W3 123.4(8) . .
W1 O3P1 W3 90.0(5) . .
W2 O3P1 W3 88.3(5) . .
W7 O37 W3 148.4(9) . .
W7 O37 K6 111.2(6) . 2_566
W3 O37 K6 99.1(6) . 2_566
W3 O39 W9 152.4(8) . .
W3 O39 K2 100.6(5) . .
W9 O39 K2 98.7(5) . .
P1 O4P1 W10 123.8(8) . .
P1 O4P1 W6 127.4(8) . .
W10 O4P1 W6 90.3(5) . .
P1 O4P1 W4 125.4(8) . .
W10 O4P1 W4 90.4(5) . .
W6 O4P1 W4 88.2(5) . .
W5 O45 W4 153.3(9) . .
W6 O46 W4 125.6(8) . .
W6 O46 K3 109.0(6) . .
W4 O46 K3 100.2(6) . .
W7 O57 W5 125.8(8) . .
W7 O57 K6 104.6(6) . 2_566
W5 O57 K6 102.0(6) . 2_566
W6 O68 W8 154.0(8) . .
W7 O79 W9 154.0(9) . .
W8 O8D1 Pd1 154.1(9) . .
W8 O89 W9 121.9(8) . .
W9 O9D1 Pd1 154.2(9) . 2_467
W4 O410 W10 127.5(8) . .
W4 O410 K5 115.6(7) . 1_455
W10 O410 K5 116.2(7) . 1_455
W5 O511 W11 127.3(8) . .
W5 O511 K4 114.0(7) . .
W11 O511 K4 116.4(7) . .
W6 O610 W10 125.1(8) . .
W7 O711 W11 125.9(8) . .
O5W K1 O1W 78.3(7) . .
O5W K1 O10T 73.1(6) . 1_655
O1W K1 O10T 114.2(6) . 1_655
O5W K1 O9T 85.6(6) . 2_567
O1W K1 O9T 136.0(6) . 2_567
O10T K1 O9T 99.3(5) 1_655 2_567
O5W K1 O8T 128.0(6) . .
O1W K1 O8T 87.0(5) . .
O10T K1 O8T 154.3(5) 1_655 .
O9T K1 O8T 71.2(5) 2_567 .
O5W K1 O28 157.2(6) . .
O1W K1 O28 79.9(5) . .
O10T K1 O28 110.3(5) 1_655 .
O9T K1 O28 115.1(4) 2_567 .
O8T K1 O28 57.1(4) . .
O5W K1 O2T 106.5(6) . .
O1W K1 O2T 61.7(5) . .
O10T K1 O2T 71.8(5) 1_655 .
O9T K1 O2T 161.4(5) 2_567 .
O8T K1 O2T 109.5(4) . .
O28 K1 O2T 56.2(4) . .
O5W K1 O7T 64.0(6) . 1_545
O1W K1 O7T 70.8(5) . 1_545
O10T K1 O7T 134.9(5) 1_655 1_545
O9T K1 O7T 65.4(4) 2_567 1_545
O8T K1 O7T 64.0(4) . 1_545
O28 K1 O7T 114.5(4) . 1_545
O2T K1 O7T 132.5(4) . 1_545
O5W K1 O8W 136.6(7) . .
O1W K1 O8W 140.0(7) . .
O10T K1 O8W 71.7(6) 1_655 .
O9T K1 O8W 76.0(6) 2_567 .
O8T K1 O8W 82.7(6) . .
O28 K1 O8W 62.1(6) . .
O2T K1 O8W 85.6(6) . .
O7T K1 O8W 135.0(6) 1_545 .
O5W K1 W2 132.5(5) . .
O1W K1 W2 68.8(4) . .
O10T K1 W2 89.9(4) 1_655 .
O9T K1 W2 141.6(4) 2_567 .
O8T K1 W2 84.4(3) . .
O28 K1 W2 29.2(3) . .
O2T K1 W2 27.1(3) . .
O7T K1 W2 129.3(3) 1_545 .
O8W K1 W2 71.7(5) . .
O5W K1 W8 150.0(5) . .
O1W K1 W8 84.5(4) . .
O10T K1 W8 136.9(4) 1_655 .
O9T K1 W8 90.0(3) 2_567 .
O8T K1 W8 25.5(3) . .
O28 K1 W8 31.6(3) . .
O2T K1 W8 86.1(3) . .
O7T K1 W8 87.2(3) 1_545 .
O8W K1 W8 70.0(5) . .
W2 K1 W8 59.80(7) . .
O5W K1 K6 40.1(5) . 2_556
O1W K1 K6 41.2(4) . 2_556
O10T K1 K6 84.1(4) 1_655 2_556
O9T K1 K6 122.4(4) 2_567 2_556
O8T K1 K6 121.4(4) . 2_556
O28 K1 K6 117.1(3) . 2_556
O2T K1 K6 73.9(3) . 2_556
O7T K1 K6 72.2(3) 1_545 2_556
O8W K1 K6 152.3(5) . 2_556
W2 K1 K6 95.47(14) . 2_556
W8 K1 K6 125.43(16) . 2_556
O8T K2 O11T 98.7(5) 2_567 1_655
O8T K2 O3W 110.8(6) 2_567 .
O11T K2 O3W 72.9(6) 1_655 .
O8T K2 O9T 70.7(5) 2_567 .
O11T K2 O9T 152.6(5) 1_655 .
O3W K2 O9T 134.3(6) . .
O8T K2 O9W 131.6(7) 2_567 .
O11T K2 O9W 122.5(8) 1_655 .
O3W K2 O9W 65.0(8) . .
O9T K2 O9W 80.3(7) . .
O8T K2 O39 112.9(4) 2_567 .
O11T K2 O39 109.6(5) 1_655 .
O3W K2 O39 135.1(5) . .
O9T K2 O39 56.4(4) . .
O9W K2 O39 78.6(7) . .
O8T K2 O3T 157.3(5) 2_567 .
O11T K2 O3T 71.5(5) 1_655 .
O3W K2 O3T 86.2(5) . .
O9T K2 O3T 108.5(5) . .
O9W K2 O3T 68.5(7) . .
O39 K2 O3T 55.3(4) . .
O8T K2 O7T 66.0(4) 2_567 2_577
O11T K2 O7T 134.9(5) 1_655 2_577
O3W K2 O7T 74.1(5) . 2_577
O9T K2 O7T 65.1(4) . 2_577
O9W K2 O7T 66.8(7) . 2_577
O39 K2 O7T 115.5(4) . 2_577
O3T K2 O7T 135.4(5) . 2_577
O8T K2 O8W 74.1(6) 2_567 .
O11T K2 O8W 72.0(6) 1_655 .
O3W K2 O8W 144.9(7) . .
O9T K2 O8W 80.7(6) . .
O9W K2 O8W 138.7(8) . .
O39 K2 O8W 60.4(6) . .
O3T K2 O8W 83.4(6) . .
O7T K2 O8W 133.7(6) 2_577 .
O8T K2 W3 138.5(4) 2_567 .
O11T K2 W3 89.4(4) 1_655 .
O3W K2 W3 110.4(4) . .
O9T K2 W3 83.6(3) . .
O9W K2 W3 71.7(6) . .
O39 K2 W3 28.8(3) . .
O3T K2 W3 26.5(3) . .
O7T K2 W3 131.1(3) 2_577 .
O8W K2 W3 70.0(5) . .
O8T K2 W9 88.9(3) 2_567 .
O11T K2 W9 136.1(4) 1_655 .
O3W K2 W9 143.5(5) . .
O9T K2 W9 24.9(3) . .
O9W K2 W9 78.9(6) . .
O39 K2 W9 31.5(3) . .
O3T K2 W9 85.1(3) . .
O7T K2 W9 87.7(3) 2_577 .
O8W K2 W9 68.7(5) . .
W3 K2 W9 59.30(7) . .
O8T K2 K1 38.1(3) 2_567 2_567
O11T K2 K1 136.6(4) 1_655 2_567
O3W K2 K1 118.6(5) . 2_567
O9T K2 K1 36.5(3) . 2_567
O9W K2 K1 98.4(6) . 2_567
O39 K2 K1 90.9(3) . 2_567
O3T K2 K1 145.0(3) . 2_567
O7T K2 K1 46.7(3) 2_577 2_567
O8W K2 K1 87.3(5) . 2_567
W3 K2 K1 119.35(13) . 2_567
W9 K2 K1 60.08(9) . 2_567
O5T K3 O2N 115.7(6) 2_466 .
O5T K3 O1N 90.2(5) 2_466 2_456
O2N K3 O1N 126.5(6) . 2_456
O5T K3 O1N 159.0(6) 2_466 .
O2N K3 O1N 47.2(6) . .
O1N K3 O1N 93.2(6) 2_456 .
O5T K3 O14 72.8(5) 2_466 .
O2N K3 O14 129.2(6) . .
O1N K3 O14 102.3(5) 2_456 .
O1N K3 O14 126.3(5) . .
O5T K3 O46 107.8(5) 2_466 .
O2N K3 O46 135.0(6) . .
O1N K3 O46 62.2(5) 2_456 .
O1N K3 O46 92.1(5) . .
O14 K3 O46 54.1(4) . .
O5T K3 O6T 70.9(5) 2_466 2_456
O2N K3 O6T 74.5(6) . 2_456
O1N K3 O6T 71.3(5) 2_456 2_456
O1N K3 O6T 90.6(5) . 2_456
O14 K3 O6T 143.1(5) . 2_456
O46 K3 O6T 133.5(5) . 2_456
O5T K3 O12 97.3(5) 2_466 .
O2N K3 O12 75.4(6) . .
O1N K3 O12 150.4(5) 2_456 .
O1N K3 O12 89.9(5) . .
O14 K3 O12 53.8(4) . .
O46 K3 O12 88.3(4) . .
O6T K3 O12 138.1(5) 2_456 .
O5T K3 O26 136.9(5) 2_466 .
O2N K3 O26 87.4(6) . .
O1N K3 O26 104.9(5) 2_456 .
O1N K3 O26 61.7(5) . .
O14 K3 O26 64.7(4) . .
O46 K3 O26 51.2(4) . .
O6T K3 O26 152.1(5) 2_456 .
O12 K3 O26 51.7(4) . .
O5T K3 N1 138.1(6) 2_466 .
O2N K3 N1 23.3(6) . .
O1N K3 N1 111.3(7) 2_456 .
O1N K3 N1 23.9(6) . .
O14 K3 N1 131.6(6) . .
O46 K3 N1 114.1(6) . .
O6T K3 N1 82.2(6) 2_456 .
O12 K3 N1 81.6(6) . .
O26 K3 N1 73.5(6) . .
O5T K3 W4 80.2(4) 2_466 .
O2N K3 W4 151.7(5) . .
O1N K3 W4 73.6(4) 2_456 .
O1N K3 W4 120.6(4) . .
O14 K3 W4 29.5(3) . .
O46 K3 W4 30.3(3) . .
O6T K3 W4 133.8(4) 2_456 .
O12 K3 W4 79.5(3) . .
O26 K3 W4 66.5(3) . .
N1 K3 W4 139.3(5) . .
O5T K3 W1 73.2(4) 2_466 .
O2N K3 W1 101.8(5) . .
O1N K3 W1 131.1(4) 2_456 .
O1N K3 W1 118.5(4) . .
O14 K3 W1 29.2(3) . .
O46 K3 W1 79.3(3) . .
O6T K3 W1 137.3(4) 2_456 .
O12 K3 W1 29.9(3) . .
O26 K3 W1 66.5(3) . .
N1 K3 W1 111.4(5) . .
W4 K3 W1 58.61(8) . .
O6W K4 O11W 138.4(10) . .
O6W K4 O511 84.3(6) . .
O11W K4 O511 134.8(9) . .
O6W K4 O2W 156.6(7) . .
O11W K4 O2W 64.4(10) . .
O511 K4 O2W 76.2(6) . .
O6W K4 O3T 85.6(6) . 1_455
O11W K4 O3T 73.7(9) . 1_455
O511 K4 O3T 102.9(5) . 1_455
O2W K4 O3T 111.1(6) . 1_455
O6W K4 O6T 99.3(6) . 1_565
O11W K4 O6T 88.5(9) . 1_565
O511 K4 O6T 99.8(5) . 1_565
O2W K4 O6T 72.0(6) . 1_565
O3T K4 O6T 157.1(5) 1_455 1_565
O6W K4 W5 74.9(6) . .
O11W K4 W5 146.2(9) . .
O511 K4 W5 25.9(3) . .
O2W K4 W5 82.0(5) . .
O3T K4 W5 124.9(4) 1_455 .
O6T K4 W5 77.7(3) 1_565 .
O6W K4 W11 100.7(6) . .
O11W K4 W11 112.1(9) . .
O511 K4 W11 26.1(3) . .
O2W K4 W11 66.3(5) . .
O3T K4 W11 84.1(3) 1_455 .
O6T K4 W11 116.5(4) 1_565 .
W5 K4 W11 51.43(8) . .
O6W K4 K3 60.6(5) . 2_466
O11W K4 K3 122.4(9) . 2_466
O511 K4 K3 87.6(4) . 2_466
O2W K4 K3 105.2(5) . 2_466
O3T K4 K3 143.6(4) 1_455 2_466
O6T K4 K3 39.5(3) 1_565 2_466
W5 K4 K3 61.87(11) . 2_466
W11 K4 K3 113.27(15) . 2_466
O6W K4 K2 116.7(6) . 1_455
O11W K4 K2 64.8(9) . 1_455
O511 K4 K2 84.9(4) . 1_455
O2W K4 K2 74.7(5) . 1_455
O3T K4 K2 37.8(3) 1_455 1_455
O6T K4 K2 144.1(4) 1_565 1_455
W5 K4 K2 110.72(16) . 1_455
W11 K4 K2 59.43(10) . 1_455
K3 K4 K2 172.30(18) 2_466 1_455
O4W K5 O410 101.9(7) . 1_655
O4W K5 O2T 111.7(7) . .
O410 K5 O2T 112.4(5) 1_655 .
O4W K5 O3N 109.9(8) . .
O410 K5 O3N 143.9(7) 1_655 .
O2T K5 O3N 71.3(7) . .
O4W K5 O10W 142.5(9) . 2_556
O410 K5 O10W 76.0(8) 1_655 2_556
O2T K5 O10W 103.3(8) . 2_556
O3N K5 O10W 68.4(9) . 2_556
O4W K5 O2N 71.0(7) . .
O410 K5 O2N 172.4(6) 1_655 .
O2T K5 O2N 69.0(6) . .
O3N K5 O2N 43.6(7) . .
O10W K5 O2N 111.2(8) 2_556 .
O4W K5 O7W 74.3(8) . .
O410 K5 O7W 61.9(6) 1_655 .
O2T K5 O7W 73.2(6) . .
O3N K5 O7W 143.1(8) . .
O10W K5 O7W 130.9(9) 2_556 .
O2N K5 O7W 112.5(7) . .
O4W K5 N1 93.7(8) . .
O410 K5 N1 164.4(7) 1_655 .
O2T K5 N1 60.5(6) . .
O3N K5 N1 23.5(7) . .
O10W K5 N1 91.7(9) 2_556 .
O2N K5 N1 22.8(6) . .
O7W K5 N1 123.6(7) . .
O4W K5 O3N 81.3(7) . 2_556
O410 K5 O3N 84.0(6) 1_655 2_556
O2T K5 O3N 155.1(6) . 2_556
O3N K5 O3N 84.4(8) . 2_556
O10W K5 O3N 61.2(8) 2_556 2_556
O2N K5 O3N 97.3(7) . 2_556
O7W K5 O3N 131.7(7) . 2_556
N1 K5 O3N 98.7(7) . 2_556
O4W K5 O10T 142.7(7) . 1_655
O410 K5 O10T 52.5(5) 1_655 1_655
O2T K5 O10T 66.2(5) . 1_655
O3N K5 O10T 104.5(7) . 1_655
O10W K5 O10T 64.9(8) 2_556 1_655
O2N K5 O10T 132.0(6) . 1_655
O7W K5 O10T 69.5(6) . 1_655
N1 K5 O10T 113.6(6) . 1_655
O3N K5 O10T 116.8(6) 2_556 1_655
O4W K5 W4 81.4(6) . 1_655
O410 K5 W4 25.8(3) 1_655 1_655
O2T K5 W4 135.7(4) . 1_655
O3N K5 W4 146.1(6) . 1_655
O10W K5 W4 83.2(7) 2_556 1_655
O2N K5 W4 149.6(5) . 1_655
O7W K5 W4 70.1(5) . 1_655
N1 K5 W4 163.8(5) . 1_655
O3N K5 W4 65.4(5) 2_556 1_655
O10T K5 W4 78.1(3) 1_655 1_655
O4W K5 W10 125.0(6) . 1_655
O410 K5 W10 27.1(3) 1_655 1_655
O2T K5 W10 88.8(4) . 1_655
O3N K5 W10 125.0(6) . 1_655
O10W K5 W10 67.4(7) 2_556 1_655
O2N K5 W10 157.1(5) . 1_655
O7W K5 W10 63.6(5) . 1_655
N1 K5 W10 138.5(5) . 1_655
O3N K5 W10 101.1(5) 2_556 1_655
O10T K5 W10 25.4(3) 1_655 1_655
W4 K5 W10 52.71(9) 1_655 1_655
O3N K6 O4W 90.4(8) 2_556 .
O3N K6 O5W 112.7(8) 2_556 2_556
O4W K6 O5W 120.2(7) . 2_556
O3N K6 O4T 62.8(7) 2_556 1_655
O4W K6 O4T 67.5(6) . 1_655
O5W K6 O4T 171.9(7) 2_556 1_655
O3N K6 O1W 70.6(7) 2_556 2_556
O4W K6 O1W 160.4(7) . 2_556
O5W K6 O1W 73.4(6) 2_556 2_556
O4T K6 O1W 98.5(6) 1_655 2_556
O3N K6 O10W 67.9(9) 2_556 .
O4W K6 O10W 69.5(9) . .
O5W K6 O10W 70.3(8) 2_556 .
O4T K6 O10W 112.2(8) 1_655 .
O1W K6 O10W 106.0(8) 2_556 .
O3N K6 O13 151.4(7) 2_556 2_566
O4W K6 O13 64.9(6) . 2_566
O5W K6 O13 92.9(6) 2_556 2_566
O4T K6 O13 93.1(5) 1_655 2_566
O1W K6 O13 131.8(6) 2_556 2_566
O10W K6 O13 112.4(8) . 2_566
O3N K6 O25 120.4(7) 2_556 2_566
O4W K6 O25 92.3(6) . 2_566
O5W K6 O25 116.5(6) 2_556 2_566
O4T K6 O25 63.8(5) 1_655 2_566
O1W K6 O25 93.4(5) 2_556 2_566
O10W K6 O25 160.7(8) . 2_566
O13 K6 O25 51.3(4) 2_566 2_566
O3N K6 O37 155.8(7) 2_556 2_566
O4W K6 O37 113.7(6) . 2_566
O5W K6 O37 58.2(6) 2_556 2_566
O4T K6 O37 122.8(5) 1_655 2_566
O1W K6 O37 85.2(5) 2_556 2_566
O10W K6 O37 121.5(7) . 2_566
O13 K6 O37 50.2(4) 2_566 2_566
O25 K6 O37 59.0(4) 2_566 2_566
O3N K6 O57 113.4(7) 2_556 2_566
O4W K6 O57 139.1(6) . 2_566
O5W K6 O57 82.2(6) 2_556 2_566
O4T K6 O57 93.4(5) 1_655 2_566
O1W K6 O57 51.6(5) 2_556 2_566
O10W K6 O57 149.4(8) . 2_566
O13 K6 O57 81.3(4) 2_566 2_566
O25 K6 O57 47.1(4) 2_566 2_566
O37 K6 O57 46.2(4) 2_566 2_566
O3N K6 W1 129.6(6) 2_556 2_566
O4W K6 W1 66.6(5) . 2_566
O5W K6 W1 117.6(5) 2_556 2_566
O4T K6 W1 67.0(4) 1_655 2_566
O1W K6 W1 121.9(5) 2_556 2_566
O10W K6 W1 131.9(7) . 2_566
O13 K6 W1 28.6(3) 2_566 2_566
O25 K6 W1 28.8(3) 2_566 2_566
O37 K6 W1 63.4(3) 2_566 2_566
O57 K6 W1 72.7(3) 2_566 2_566
O3N K6 W3 175.2(6) 2_556 2_566
O4W K6 W3 85.9(5) . 2_566
O5W K6 W3 66.9(5) 2_556 2_566
O4T K6 W3 118.2(4) 1_655 2_566
O1W K6 W3 113.4(5) 2_556 2_566
O10W K6 W3 107.9(7) . 2_566
O13 K6 W3 27.1(3) 2_566 2_566
O25 K6 W3 62.8(3) 2_566 2_566
O37 K6 W3 28.3(3) 2_566 2_566
O57 K6 W3 71.4(3) 2_566 2_566
W1 K6 W3 51.17(8) 2_566 2_566
O2N N1 O1N 123(3) . .
O2N N1 O3N 117(3) . .
O1N N1 O3N 120(3) . .
O2N N1 K3 59.9(15) . .
O1N N1 K3 62.9(14) . .
O3N N1 K3 173(2) . .
O2N N1 K5 71.5(16) . .
O1N N1 K5 141.0(18) . .
O3N N1 K5 56.9(16) . .
K3 N1 K5 116.7(8) . .
N1 O1N K3 140.2(17) . 2_456
N1 O1N K3 93.1(16) . .
K3 O1N K3 86.8(5) 2_456 .
N1 O2N K3 96.8(18) . .
N1 O2N K5 85.6(17) . .
K3 O2N K5 138.0(9) . .
N1 O3N K5 99.6(19) . .
N1 O3N K6 133(2) . 2_556
K5 O3N K6 111.3(10) . 2_556
N1 O3N K5 125(2) . 2_556
K5 O3N K5 95.6(8) . 2_556
K6 O3N K5 86.3(7) 2_556 2_556
K1 O1W K6 100.4(7) . 2_556
K5 O4W K6 102.0(8) . .
K1 O5W K6 102.0(8) . 2_556
K1 O8W K2 169.0(10) . .
K6 O10W K5 101.3(10) . 2_556
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 O9D1 1.939(15) 2_467
Pd1 O1D1 1.955(15) 2_467
Pd1 O0D1 1.958(14) .
Pd1 O8D1 1.966(15) .
Pd1 Pd1 3.016(3) 2_467
W1 O1T 1.722(15) .
W1 O25 1.884(15) .
W1 O13 1.907(15) .
W1 O14 1.909(15) .
W1 O12 1.914(16) .
W1 O3P1 2.384(14) .
W2 O2T 1.732(15) .
W2 O28 1.852(13) .
W2 O26 1.919(14) .
W2 O12 1.937(16) .
W2 O23 1.957(15) .
W2 O3P1 2.450(14) .
W3 O3T 1.714(16) .
W3 O39 1.846(13) .
W3 O23 1.894(15) .
W3 O37 1.946(15) .
W3 O13 1.960(15) .
W3 O3P1 2.459(14) .
W4 O4T 1.718(17) .
W4 O410 1.854(15) .
W4 O45 1.917(14) .
W4 O14 1.920(15) .
W4 O46 1.934(15) .
W4 O4P1 2.493(15) .
W5 O5T 1.704(16) .
W5 O45 1.879(15) .
W5 O511 1.884(15) .
W5 O57 1.930(16) .
W5 O25 1.948(15) .
W5 O2P1 2.503(14) .
W6 O6T 1.720(16) .
W6 O68 1.892(14) .
W6 O610 1.896(15) .
W6 O26 1.898(14) .
W6 O46 1.919(15) .
W6 O4P1 2.431(15) .
W7 O7T 1.690(16) .
W7 O79 1.848(15) .
W7 O37 1.871(15) .
W7 O711 1.906(15) .
W7 O57 1.925(16) .
W7 O2P1 2.436(14) .
W8 O8T 1.734(15) .
W8 O8D1 1.761(15) .
W8 O89 1.916(15) .
W8 O68 1.939(15) .
W8 O28 2.008(13) .
W8 O1P1 2.323(14) .
W9 O9T 1.733(16) .
W9 O9D1 1.784(15) .
W9 O89 1.942(15) .
W9 O79 1.973(15) .
W9 O39 2.027(13) .
W9 O1P1 2.338(14) .
W10 O10T 1.729(18) .
W10 O0D1 1.773(14) .
W10 O011 1.915(15) .
W10 O610 1.977(15) .
W10 O410 2.033(15) .
W10 O4P1 2.418(15) .
W11 O11T 1.690(18) .
W11 O1D1 1.774(15) .
W11 O011 1.903(16) .
W11 O711 1.959(15) .
W11 O511 2.006(15) .
W11 O2P1 2.412(14) .
P1 O2P1 1.539(15) .
P1 O4P1 1.545(15) .
P1 O1P1 1.547(14) .
P1 O3P1 1.550(15) .
O2T K5 2.668(17) .
O2T K1 3.023(16) .
O3T K4 2.817(17) 1_655
O3T K2 3.032(16) .
O4T K6 2.841(18) 1_455
O5T K3 2.699(17) 2_466
O6T K3 2.934(17) 2_456
O6T K4 3.018(17) 1_545
O7T K2 3.149(17) 2_577
O7T K1 3.219(17) 1_565
O8T K2 2.741(16) 2_567
O8T K1 2.830(16) .
O9T K1 2.725(16) 2_567
O9T K2 2.849(16) .
O10T K1 2.723(19) 1_455
O10T K5 3.41(2) 1_455
O1D1 Pd1 1.955(15) 2_467
O11T K2 2.756(18) 1_455
O12 K3 2.982(16) .
O13 K6 2.944(16) 2_566
O14 K3 2.821(16) .
O25 K6 3.131(16) 2_566
O26 K3 3.052(15) .
O28 K1 2.940(14) .
O37 K6 3.260(17) 2_566
O39 K2 2.963(14) .
O46 K3 2.921(16) .
O57 K6 3.398(18) 2_566
O9D1 Pd1 1.939(15) 2_467
O410 K5 2.663(17) 1_455
O511 K4 2.779(16) .
K1 O5W 2.70(2) .
K1 O1W 2.71(2) .
K1 O10T 2.723(19) 1_655
K1 O9T 2.725(16) 2_567
K1 O7T 3.219(17) 1_545
K1 O8W 3.25(3) .
K2 O8T 2.741(16) 2_567
K2 O11T 2.756(18) 1_655
K2 O3W 2.84(2) .
K2 O9W 2.86(3) .
K2 O7T 3.149(17) 2_577
K2 O8W 3.30(3) .
K3 O5T 2.699(17) 2_466
K3 O2N 2.73(2) .
K3 O1N 2.78(2) 2_456
K3 O1N 2.795(19) .
K3 O6T 2.934(17) 2_456
K4 O6W 2.72(3) .
K4 O11W 2.77(4) .
K4 O2W 2.80(2) .
K4 O3T 2.817(17) 1_455
K4 O6T 3.018(17) 1_565
K5 O4W 2.63(3) .
K5 O410 2.663(17) 1_655
K5 O3N 2.72(3) .
K5 O10W 2.93(4) 2_556
K5 O2N 3.05(2) .
K5 O7W 3.09(3) .
K5 O3N 3.40(3) 2_556
K5 O10T 3.41(2) 1_655
K6 O3N 2.77(3) 2_556
K6 O4W 2.83(3) .
K6 O5W 2.83(2) 2_556
K6 O4T 2.841(18) 1_655
K6 O1W 2.88(2) 2_556
K6 O10W 2.93(3) .
K6 O13 2.944(16) 2_566
K6 O25 3.131(16) 2_566
K6 O37 3.260(17) 2_566
K6 O57 3.398(18) 2_566
N1 O2N 1.25(3) .
N1 O1N 1.27(3) .
N1 O3N 1.30(4) .
O1N K3 2.784(19) 2_456
O3N K6 2.77(3) 2_556
O3N K5 3.40(3) 2_556
O1W K6 2.88(2) 2_556
O5W K6 2.83(2) 2_556
O10W K5 2.93(4) 2_556
