#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/03/4120366.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_4120366
loop_
_publ_author_name
'Kate Harris'
'Qing-Fu Sun'
'Sota Sato'
'Makoto Fujita'
_publ_section_title
;
 M12L24 Spheres with Endo and Exo Coordination Sites: Scaffolds for
 Non-Covalent Functionalization
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12497
_journal_page_last               12499
_journal_paper_doi               10.1021/ja4043609
_journal_volume                  135
_journal_year                    2013
_chemical_formula_moiety
'2(C456 H264 N72 Pd12), 0.8(2(12Ag 24N)), 46(B F4)'
_chemical_formula_sum            'C456 H264 Ag19.2 B23 F92 N110.4 Pd12'
_chemical_formula_weight         12633.91
_chemical_name_common
'M12L24 sphere 2b from ligand 1a and Pd2+ complexed with Ag+'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     'charge flipping'
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 135.02(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   61.066(12)
_cell_length_b                   61.073(12)
_cell_length_c                   43.152(9)
_cell_measurement_reflns_used    19848
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      15.04
_cell_measurement_theta_min      0.61
_cell_volume                     113758(7)
_computing_cell_refinement       HKL2000
_computing_data_collection       ugui
_computing_data_reduction        HKL2000
_computing_molecular_graphics    'Yadokari-XG 2009'
_computing_publication_material  'Yadokari-XG 2009'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    superflip
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_details
' 1.00 degrees, 1.0 sec, detector distance 203.70 mm'
_diffrn_measurement_device_type  'CCD Quantum 270 (ADSC)'
_diffrn_measurement_method       'oscillation method, ω scans'
_diffrn_radiation_monochromator  'Si 111'
_diffrn_radiation_source         'KEK PF-AR NE3A beamline'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.75000
_diffrn_reflns_av_R_equivalents  0.1015
_diffrn_reflns_av_sigmaI/netI    0.0711
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -42
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            75221
_diffrn_reflns_theta_full        15.04
_diffrn_reflns_theta_max         15.04
_diffrn_reflns_theta_min         0.61
_exptl_absorpt_coefficient_mu    0.290
_exptl_absorpt_correction_T_max  0.9800
_exptl_absorpt_correction_T_min  0.9716
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL2000 DENZO SCALEPACK'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.369
_exptl_crystal_description       cubic
_exptl_crystal_F_000             12340
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.679
_refine_diff_density_min         -0.415
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.798
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1622
_refine_ls_number_reflns         19962
_refine_ls_number_restraints     1149
_refine_ls_restrained_S_all      1.782
_refine_ls_R_factor_all          0.2036
_refine_ls_R_factor_gt           0.1615
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.4424
_refine_ls_wR_factor_ref         0.4650
_reflns_number_gt                12569
_reflns_number_total             19962
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ja4043609_si_004.cif
_cod_data_source_block           c2m
_cod_original_cell_volume        113758(39)
_cod_original_formula_sum        'C456 H264 Ag19.20 B23 F92 N110.40 Pd12'
_cod_database_code               4120366
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
N1A N 0.2921(4) 0.2179(3) 0.4542(5) 0.246(6) Uani 1 1 d GU . .
C1A C 0.3025(4) 0.2093(2) 0.4366(7) 0.259(7) Uani 1 1 d GU . .
H1 H 0.3128 0.1959 0.4466 0.311 Uiso 1 1 calc R . .
C2A C 0.2974(5) 0.2206(4) 0.4041(7) 0.273(7) Uani 1 1 d GU . .
H2 H 0.3044 0.2149 0.3924 0.327 Uiso 1 1 calc R . .
C3A C 0.2820(5) 0.2406(3) 0.3892(5) 0.278(7) Uani 1 1 d GDU . .
C4A C 0.2716(4) 0.2492(2) 0.4067(7) 0.260(7) Uani 1 1 d GU . .
H3 H 0.2613 0.2626 0.3967 0.312 Uiso 1 1 calc R . .
C5A C 0.2767(4) 0.2378(3) 0.4392(6) 0.260(7) Uani 1 1 d GU . .
H4 H 0.2697 0.2436 0.4510 0.312 Uiso 1 1 calc R . .
N2A N 0.2916(4) 0.2177(3) 0.1298(7) 0.236(6) Uani 1 1 d GU . .
C6A C 0.3024(4) 0.2095(2) 0.1687(7) 0.254(7) Uani 1 1 d GU . .
H5 H 0.3130 0.1962 0.1798 0.305 Uiso 1 1 calc R . .
C7A C 0.2974(4) 0.2211(4) 0.1909(5) 0.276(7) Uani 1 1 d GU . .
H6 H 0.3046 0.2156 0.2169 0.331 Uiso 1 1 calc R . .
C8A C 0.2815(5) 0.2409(3) 0.1742(7) 0.275(7) Uani 1 1 d GDU . .
C9A C 0.2706(4) 0.2491(2) 0.1353(8) 0.261(7) Uani 1 1 d GU . .
H7 H 0.2600 0.2623 0.1242 0.314 Uiso 1 1 calc R . .
C10A C 0.2757(4) 0.2375(3) 0.1131(5) 0.256(7) Uani 1 1 d GU . .
H8 H 0.2684 0.2430 0.0871 0.307 Uiso 1 1 calc R . .
C11A C 0.2776(8) 0.2506(5) 0.3556(9) 0.303(9) Uani 1 1 d DU . .
C12A C 0.2732(8) 0.2598(5) 0.3267(9) 0.322(9) Uani 1 1 d DU . .
C13A C 0.2775(8) 0.2482(4) 0.2009(10) 0.312(9) Uani 1 1 d DU . .
C14A C 0.2742(8) 0.2622(4) 0.2174(11) 0.324(9) Uani 1 1 d DU . .
N3A N 0.2707(4) 0.2611(3) 0.2730(9) 0.325(8) Uani 1 1 d GU G .
C16A C 0.2603(6) 0.2722(4) 0.2888(6) 0.335(8) Uani 1 1 d GDU . .
C17A C 0.2430(6) 0.2913(4) 0.2683(9) 0.360(9) Uani 1 1 d GU . .
H9 H 0.2361 0.2987 0.2789 0.432 Uiso 1 1 calc R . .
C18A C 0.2360(5) 0.2992(3) 0.2319(8) 0.365(10) Uani 1 1 d GU . .
H10 H 0.2244 0.3120 0.2182 0.438 Uiso 1 1 calc R . .
C19A C 0.2463(6) 0.2881(5) 0.2161(6) 0.344(9) Uani 1 1 d GU . .
H11 H 0.2416 0.2935 0.1918 0.412 Uiso 1 1 calc R . .
C20A C 0.2636(6) 0.2691(4) 0.2366(9) 0.331(8) Uani 1 1 d GDU . .
N1B N 0.2579(4) 0.1857(3) 0.0630(7) 0.191(8) Uani 1 1 d GU . .
C1B C 0.2590(4) 0.1665(3) 0.0816(5) 0.262(13) Uani 1 1 d GU . .
H12 H 0.2778 0.1615 0.1081 0.314 Uiso 1 1 calc R . .
C2B C 0.2320(6) 0.1549(3) 0.0605(8) 0.278(14) Uani 1 1 d GU . .
H13 H 0.2327 0.1421 0.0729 0.333 Uiso 1 1 calc R . .
C3B C 0.2038(4) 0.1624(3) 0.0209(8) 0.232(12) Uani 1 1 d GU . .
C4B C 0.2027(4) 0.1816(4) 0.0023(6) 0.246(12) Uani 1 1 d GU . .
H14 H 0.1838 0.1866 -0.0242 0.295 Uiso 1 1 calc R . .
C5B C 0.2297(6) 0.1932(2) 0.0234(7) 0.237(12) Uani 1 1 d GU . .
H15 H 0.2289 0.2060 0.0110 0.284 Uiso 1 1 calc R . .
N2B N 0.0962(5) 0.0235(2) 0.0625(7) 0.183(7) Uani 1 1 d GU . .
C6B C 0.1247(4) 0.0310(3) 0.0806(5) 0.239(12) Uani 1 1 d GU . .
H16 H 0.1429 0.0248 0.1063 0.287 Uiso 1 1 calc R . .
C7B C 0.1261(4) 0.0478(3) 0.0603(8) 0.267(13) Uani 1 1 d GU . .
H17 H 0.1452 0.0528 0.0724 0.320 Uiso 1 1 calc R . .
C8B C 0.0989(6) 0.0570(3) 0.0218(8) 0.252(12) Uani 1 1 d GU . .
C9B C 0.0704(4) 0.0495(3) 0.0037(6) 0.252(12) Uani 1 1 d GU . .
H18 H 0.0522 0.0557 -0.0221 0.302 Uiso 1 1 calc R . .
C10B C 0.0690(4) 0.0327(3) 0.0240(7) 0.236(13) Uani 1 1 d GU . .
H19 H 0.0499 0.0277 0.0119 0.283 Uiso 1 1 calc R . .
C11B C 0.1788(7) 0.1503(6) 0.0013(12) 0.327(18) Uani 1 1 d DU . .
C12B C 0.1545(8) 0.1404(6) -0.0201(13) 0.331(17) Uani 1 1 d DU . .
C13B C 0.1010(10) 0.0748(7) 0.0009(14) 0.329(19) Uani 1 1 d DU . .
C14B C 0.0979(12) 0.0871(7) -0.0241(16) 0.39(3) Uani 1 1 d DU . .
N3B N 0.1249(5) 0.1141(5) -0.0189(7) 0.361(12) Uani 1 1 d GU H .
C16B C 0.1261(5) 0.1311(5) -0.0392(10) 0.389(15) Uani 1 1 d GU . .
C17B C 0.0991(7) 0.1381(4) -0.0806(10) 0.458(17) Uani 1 1 d GU . .
H20 H 0.0999 0.1495 -0.0942 0.549 Uiso 1 1 calc R . .
C18B C 0.0710(5) 0.1282(5) -0.1019(8) 0.493(19) Uani 1 1 d GU . .
H21 H 0.0529 0.1329 -0.1296 0.592 Uiso 1 1 calc R . .
C19B C 0.0698(5) 0.1112(5) -0.0816(10) 0.452(17) Uani 1 1 d GU . .
H22 H 0.0510 0.1046 -0.0959 0.542 Uiso 1 1 calc R . .
C20B C 0.0968(7) 0.1041(4) -0.0402(10) 0.413(17) Uani 1 1 d GU . .
N1C N 0.0972(6) 0.0233(2) 0.1304(7) 0.189(8) Uani 1 1 d GU . .
C1C C 0.1253(4) 0.0311(3) 0.1697(7) 0.228(12) Uani 1 1 d GU . .
H23 H 0.1439 0.0254 0.1807 0.273 Uiso 1 1 calc R . .
C2C C 0.1258(4) 0.0474(4) 0.1925(5) 0.263(13) Uani 1 1 d GU . .
H24 H 0.1446 0.0527 0.2188 0.315 Uiso 1 1 calc R . .
C3C C 0.0981(6) 0.0559(3) 0.1761(7) 0.244(12) Uani 1 1 d GU . .
C4C C 0.0700(4) 0.0481(3) 0.1368(8) 0.242(12) Uani 1 1 d GU . .
H25 H 0.0515 0.0537 0.1258 0.290 Uiso 1 1 calc R . .
C5C C 0.0696(4) 0.0317(3) 0.1140(5) 0.230(12) Uani 1 1 d GU . .
H26 H 0.0508 0.0265 0.0877 0.276 Uiso 1 1 calc R . .
N2C N 0.2583(4) 0.1851(3) 0.4526(5) 0.194(8) Uani 1 1 d GU . .
C6C C 0.2587(4) 0.1658(4) 0.4360(7) 0.258(13) Uani 1 1 d GU . .
H27 H 0.2773 0.1603 0.4469 0.310 Uiso 1 1 calc R . .
C7C C 0.2312(6) 0.1545(3) 0.4031(7) 0.264(13) Uani 1 1 d GU . .
H28 H 0.2314 0.1416 0.3920 0.316 Uiso 1 1 calc R . .
C8C C 0.2034(4) 0.1626(4) 0.3868(6) 0.245(12) Uani 1 1 d GU . .
C9C C 0.2030(4) 0.1820(4) 0.4034(7) 0.254(13) Uani 1 1 d GU . .
H29 H 0.1844 0.1874 0.3925 0.305 Uiso 1 1 calc R . .
C10C C 0.2305(6) 0.1932(2) 0.4363(7) 0.225(11) Uani 1 1 d GU . .
H30 H 0.2303 0.2062 0.4474 0.270 Uiso 1 1 calc R . .
C11C C 0.0993(8) 0.0737(6) 0.1993(12) 0.296(16) Uani 1 1 d DU . .
C12C C 0.0994(9) 0.0859(6) 0.2217(13) 0.33(2) Uani 1 1 d DU . .
C13C C 0.1783(8) 0.1504(5) 0.3561(13) 0.295(16) Uani 1 1 d DU . .
C14C C 0.1543(8) 0.1403(6) 0.3284(13) 0.302(16) Uani 1 1 d DU . .
N3C N 0.1247(5) 0.1147(5) 0.2695(11) 0.388(13) Uani 1 1 d GU I .
C16C C 0.0966(8) 0.1053(4) 0.2330(10) 0.425(18) Uani 1 1 d GU . .
C17C C 0.0693(5) 0.1126(5) 0.2192(9) 0.462(18) Uani 1 1 d GU . .
H31 H 0.0505 0.1063 0.1948 0.554 Uiso 1 1 calc R . .
C18C C 0.0700(5) 0.1293(5) 0.2418(12) 0.470(17) Uani 1 1 d GU . .
H32 H 0.0517 0.1342 0.2326 0.564 Uiso 1 1 calc R . .
C19C C 0.0981(8) 0.1387(4) 0.2783(11) 0.467(18) Uani 1 1 d GU . .
H33 H 0.0986 0.1499 0.2934 0.560 Uiso 1 1 calc R . .
C20C C 0.1255(5) 0.1314(5) 0.2921(8) 0.419(17) Uani 1 1 d GU . .
N1D N 0.3388(4) 0.2177(3) 0.1311(7) 0.193(8) Uani 1 1 d GU . .
C1D C 0.3668(5) 0.2097(3) 0.1704(7) 0.244(12) Uani 1 1 d GU . .
H34 H 0.3672 0.1968 0.1822 0.293 Uiso 1 1 calc R . .
C2D C 0.3941(4) 0.2210(4) 0.1920(5) 0.277(14) Uani 1 1 d GU . .
H35 H 0.4128 0.2156 0.2183 0.333 Uiso 1 1 calc R . .
C3D C 0.3935(4) 0.2403(3) 0.1743(7) 0.244(11) Uani 1 1 d GU . .
C4D C 0.3655(6) 0.2483(3) 0.1350(8) 0.252(12) Uani 1 1 d GU . .
H36 H 0.3651 0.2612 0.1232 0.302 Uiso 1 1 calc R . .
C5D C 0.3382(4) 0.2370(3) 0.1134(5) 0.231(11) Uani 1 1 d GU . .
H37 H 0.3195 0.2423 0.0872 0.277 Uiso 1 1 calc R . .
N2D N 0.6613(4) 0.2179(3) 0.4537(5) 0.200(8) Uani 1 1 d GU . .
C6D C 0.6333(6) 0.2095(2) 0.4364(7) 0.245(12) Uani 1 1 d GU . .
H38 H 0.6330 0.1964 0.4470 0.294 Uiso 1 1 calc R . .
C7D C 0.6059(4) 0.2207(4) 0.4033(7) 0.268(13) Uani 1 1 d GU . .
H39 H 0.5872 0.2151 0.3917 0.321 Uiso 1 1 calc R . .
C8D C 0.6063(4) 0.2403(3) 0.3875(6) 0.259(12) Uani 1 1 d GU . .
C9D C 0.6343(6) 0.2488(3) 0.4048(7) 0.250(12) Uani 1 1 d GU . .
H40 H 0.6346 0.2619 0.3942 0.300 Uiso 1 1 calc R . .
C10D C 0.6617(4) 0.2376(4) 0.4379(7) 0.237(12) Uani 1 1 d GU . .
H41 H 0.6804 0.2432 0.4494 0.284 Uiso 1 1 calc R . .
C11D C 0.4241(7) 0.2495(5) 0.1994(12) 0.296(14) Uani 1 1 d DU . .
C12D C 0.4461(7) 0.2613(6) 0.2170(12) 0.330(18) Uani 1 1 d DU . .
C13D C 0.5746(8) 0.2501(5) 0.3505(13) 0.286(14) Uani 1 1 d DU . .
C14D C 0.5521(8) 0.2616(6) 0.3245(14) 0.35(2) Uani 1 1 d DU . .
N3D N 0.4997(7) 0.2594(3) 0.2684(10) 0.386(13) Uani 1 1 d GU J .
C16D C 0.4717(5) 0.2688(5) 0.2317(10) 0.417(17) Uani 1 1 d GU . .
C17D C 0.4714(5) 0.2886(5) 0.2154(9) 0.471(18) Uani 1 1 d GU . .
H42 H 0.4526 0.2949 0.1909 0.565 Uiso 1 1 calc R . .
C18D C 0.4991(7) 0.2989(4) 0.2358(11) 0.496(19) Uani 1 1 d GU . .
H43 H 0.4989 0.3122 0.2250 0.595 Uiso 1 1 calc R . .
C19D C 0.5271(5) 0.2895(5) 0.2725(11) 0.488(19) Uani 1 1 d GU . .
H44 H 0.5457 0.2965 0.2862 0.586 Uiso 1 1 calc R . .
C20D C 0.5274(5) 0.2698(5) 0.2888(8) 0.438(18) Uani 1 1 d GU . .
N1E N 0.3049(4) 0.1851(3) 0.0622(6) 0.198(7) Uani 1 1 d GU . .
C1E C 0.3213(4) 0.1655(3) 0.0794(5) 0.264(11) Uani 1 1 d GU . .
H45 H 0.3284 0.1600 0.1052 0.317 Uiso 1 1 calc R . .
C2E C 0.3271(4) 0.1543(2) 0.0578(7) 0.270(12) Uani 1 1 d GU . .
H46 H 0.3381 0.1411 0.0693 0.324 Uiso 1 1 calc R . .
C3E C 0.3165(5) 0.1625(3) 0.0191(7) 0.243(10) Uani 1 1 d GU . .
C4E C 0.3001(4) 0.1821(3) 0.0020(5) 0.235(9) Uani 1 1 d GU . .
H47 H 0.2930 0.1877 -0.0238 0.282 Uiso 1 1 calc R . .
C5E C 0.2943(3) 0.1934(2) 0.0236(7) 0.229(10) Uani 1 1 d GU . .
H48 H 0.2834 0.2065 0.0121 0.275 Uiso 1 1 calc R . .
N2E N 0.4668(3) 0.0231(2) 0.0638(8) 0.207(9) Uani 1 1 d GU . .
C6E C 0.4557(5) 0.0313(3) 0.0808(6) 0.250(11) Uani 1 1 d GU . .
H49 H 0.4631 0.0257 0.1067 0.300 Uiso 1 1 calc R . .
C7E C 0.4337(5) 0.0479(3) 0.0589(9) 0.278(14) Uani 1 1 d GU . .
H50 H 0.4264 0.0534 0.0702 0.334 Uiso 1 1 calc R . .
C8E C 0.4228(4) 0.0564(3) 0.0201(8) 0.267(12) Uani 1 1 d GU . .
C9E C 0.4338(5) 0.0482(4) 0.0031(6) 0.247(11) Uani 1 1 d GU . .
H51 H 0.4264 0.0538 -0.0228 0.296 Uiso 1 1 calc R . .
C10E C 0.4558(5) 0.0316(4) 0.0250(8) 0.231(12) Uani 1 1 d GU . .
H52 H 0.4632 0.0261 0.0137 0.277 Uiso 1 1 calc R . .
C11E C 0.3238(9) 0.1504(6) -0.0002(12) 0.304(16) Uani 1 1 d DU . .
C12E C 0.3231(9) 0.1412(7) -0.0258(13) 0.327(17) Uani 1 1 d DU . .
C13E C 0.3978(9) 0.0762(7) -0.0015(13) 0.315(14) Uani 1 1 d DU . .
C14E C 0.3739(11) 0.0868(8) -0.0264(16) 0.40(2) Uani 1 1 d DU . .
N3E N 0.3545(7) 0.1146(5) -0.0207(8) 0.423(11) Uani 1 1 d GU K .
C16E C 0.3356(7) 0.1330(5) -0.0384(10) 0.427(11) Uani 1 1 d GU . .
C17E C 0.3238(6) 0.1420(4) -0.0773(10) 0.436(12) Uani 1 1 d GU . .
H53 H 0.3111 0.1543 -0.0891 0.523 Uiso 1 1 calc R . .
C18E C 0.3310(7) 0.1326(5) -0.0986(8) 0.452(12) Uani 1 1 d GU . .
H54 H 0.3231 0.1387 -0.1246 0.543 Uiso 1 1 calc R . .
C19E C 0.3499(7) 0.1143(5) -0.0810(10) 0.451(12) Uani 1 1 d GU . .
H55 H 0.3547 0.1080 -0.0952 0.541 Uiso 1 1 calc R . .
C20E C 0.3617(6) 0.1052(4) -0.0420(10) 0.442(12) Uani 1 1 d GU . .
N1F N 0.5334(3) 0.0233(2) 0.1320(8) 0.197(8) Uani 1 1 d GU . .
C1F C 0.5449(5) 0.0328(4) 0.1704(8) 0.241(11) Uani 1 1 d GU . .
H56 H 0.5379 0.0281 0.1825 0.289 Uiso 1 1 calc R . .
C2F C 0.5670(5) 0.0493(4) 0.1906(5) 0.279(14) Uani 1 1 d GU . .
H57 H 0.5746 0.0557 0.2163 0.335 Uiso 1 1 calc R . .
C3F C 0.5775(4) 0.0564(3) 0.1725(9) 0.262(13) Uani 1 1 d GU . .
C4F C 0.5661(6) 0.0469(4) 0.1340(9) 0.256(12) Uani 1 1 d GU . .
H58 H 0.5731 0.0516 0.1219 0.307 Uiso 1 1 calc R . .
C5F C 0.5440(5) 0.0303(3) 0.1138(6) 0.220(10) Uani 1 1 d GU . .
H59 H 0.5363 0.0240 0.0881 0.264 Uiso 1 1 calc R . .
N2F N 0.6950(4) 0.1847(4) 0.4533(5) 0.194(8) Uani 1 1 d GU . .
C6F C 0.6781(4) 0.1653(4) 0.4363(7) 0.252(13) Uani 1 1 d GU . .
H60 H 0.6707 0.1595 0.4473 0.303 Uiso 1 1 calc R . .
C7F C 0.6724(4) 0.1546(3) 0.4028(8) 0.279(15) Uani 1 1 d GU . .
H61 H 0.6612 0.1416 0.3914 0.335 Uiso 1 1 calc R . .
C8F C 0.6836(5) 0.1632(4) 0.3863(6) 0.253(12) Uani 1 1 d GU . .
C9F C 0.7004(5) 0.1826(4) 0.4034(8) 0.254(13) Uani 1 1 d GU . .
H62 H 0.7079 0.1884 0.3923 0.305 Uiso 1 1 calc R . .
C10F C 0.7061(4) 0.1934(2) 0.4369(8) 0.224(11) Uani 1 1 d GU . .
H63 H 0.7174 0.2063 0.4483 0.269 Uiso 1 1 calc R . .
C11F C 0.6019(8) 0.0740(6) 0.2008(12) 0.301(14) Uani 1 1 d DU . .
C12F C 0.6237(9) 0.0866(6) 0.2237(14) 0.346(18) Uani 1 1 d DU . .
C13F C 0.6779(9) 0.1497(6) 0.3555(13) 0.275(15) Uani 1 1 d DU . .
C14F C 0.6742(10) 0.1416(7) 0.3264(13) 0.309(17) Uani 1 1 d DU . .
N3F N 0.6455(7) 0.1145(5) 0.2709(11) 0.426(11) Uani 1 1 d GU L .
C16F C 0.6382(6) 0.1049(4) 0.2353(10) 0.438(12) Uani 1 1 d GU . .
C17F C 0.6505(8) 0.1134(5) 0.2204(9) 0.453(12) Uani 1 1 d GU . .
H64 H 0.6457 0.1070 0.1966 0.543 Uiso 1 1 calc R . .
C18F C 0.6700(7) 0.1315(5) 0.2409(11) 0.457(12) Uani 1 1 d GU . .
H65 H 0.6782 0.1372 0.2309 0.548 Uiso 1 1 calc R . .
C19F C 0.6772(6) 0.1411(4) 0.2765(11) 0.448(12) Uani 1 1 d GU . .
H66 H 0.6903 0.1532 0.2902 0.538 Uiso 1 1 calc R . .
C20F C 0.6650(7) 0.1326(5) 0.2914(9) 0.433(12) Uani 1 1 d GU . .
Pd1 Pd 0.29814(4) 0.20184(3) 0.49996(7) 0.1781(16) Uani 1 1 d . . .
Pd2 Pd 0.29817(4) 0.20183(3) 0.09634(7) 0.1780(16) Uani 1 1 d . . .
Pd3M Pd 0.09635(5) 0.0000 0.09644(10) 0.1769(18) Uani 1 2 d S . .
Pd4M Pd 0.50001(7) 0.0000 0.09628(10) 0.1774(18) Uani 1 2 d S . .
Ag1A Ag 0.28920(13) 0.22797(7) 0.28923(18) 0.399(3) Uani 0.80 1 d P . .
Ag1B Ag 0.16643(10) 0.10556(7) 0.04395(18) 0.395(3) Uani 0.80 1 d P . .
Ag1C Ag 0.16636(10) 0.10539(7) 0.28868(17) 0.396(3) Uani 0.80 1 d P . .
Ag1D Ag 0.50002(8) 0.22792(7) 0.28885(17) 0.398(3) Uani 0.80 1 d P . .
Ag1E Ag 0.37766(12) 0.10567(7) 0.04407(18) 0.399(3) Uani 0.80 1 d P . .
Ag1F Ag 0.62241(12) 0.10559(7) 0.28891(17) 0.399(3) Uani 0.80 1 d P . .
B1 B 0.3386(8) 0.1549(6) 0.4759(12) 0.75(2) Uani 1 1 d DU . .
F11 F 0.3372(8) 0.1620(5) 0.5050(13) 0.624(19) Uani 1 1 d DU . .
F12 F 0.3542(11) 0.1706(6) 0.4741(17) 0.82(3) Uani 1 1 d DU . .
F13 F 0.3091(8) 0.1483(7) 0.4370(13) 0.78(2) Uani 1 1 d DU . .
F14 F 0.3584(9) 0.1372(5) 0.4990(14) 0.75(2) Uani 1 1 d DU . .
B2 B 0.2561(8) 0.2526(5) 0.5063(11) 0.257(16) Uani 0.50 1 d PDU A -1
F21 F 0.2671(7) 0.2683(4) 0.4967(11) 0.288(15) Uani 0.50 1 d PDU A -1
F22 F 0.2763(7) 0.2511(5) 0.5515(10) 0.310(15) Uani 0.50 1 d PDU A -1
F23 F 0.2585(7) 0.2332(5) 0.4927(13) 0.192(12) Uani 0.50 1 d PDU A -1
F24 F 0.2287(7) 0.2597(6) 0.4914(14) 0.247(18) Uani 0.50 1 d PDU A -1
B3 B 0.3392(8) 0.1552(6) 0.2024(12) 0.81(2) Uani 1 1 d DU . .
F31 F 0.3369(8) 0.1640(6) 0.1705(13) 0.614(19) Uani 1 1 d DU . .
F32 F 0.3094(8) 0.1498(8) 0.1829(18) 0.89(3) Uani 1 1 d DU . .
F33 F 0.3545(12) 0.1700(7) 0.2374(13) 0.91(3) Uani 1 1 d DU . .
F34 F 0.3585(9) 0.1372(6) 0.2172(14) 0.77(3) Uani 1 1 d DU . .
B4 B 0.2503(8) 0.2535(6) 0.0064(12) 0.259(16) Uani 0.50 1 d PDU B -1
F41 F 0.2663(9) 0.2338(6) 0.0233(14) 0.198(12) Uani 0.50 1 d PDU B -1
F42 F 0.2393(11) 0.2614(7) -0.0327(13) 0.212(15) Uani 0.50 1 d PDU B -1
F43 F 0.2692(7) 0.2689(5) 0.0393(12) 0.352(18) Uani 0.50 1 d PDU B -1
F44 F 0.2246(6) 0.2500(5) -0.0004(11) 0.269(12) Uani 0.50 1 d PDU B -1
B5 B 0.1976(7) 0.0063(6) 0.1939(12) 0.56(3) Uani 0.50 1 d PDU C -1
F51 F 0.1913(10) 0.0120(8) 0.1567(14) 0.63(3) Uani 0.50 1 d PDU C -1
F52 F 0.1725(7) -0.0057(6) 0.1798(15) 0.49(2) Uani 0.50 1 d PDU C -1
F53 F 0.2014(10) 0.0252(7) 0.2154(17) 0.59(3) Uani 0.50 1 d PDU C -1
F54 F 0.2242(6) -0.0066(6) 0.2219(15) 0.56(3) Uani 0.50 1 d PDU C -1
B6 B 0.0003(8) -0.0022(6) 0.0090(13) 0.205(19) Uani 0.25 1 d PDU D -1
F61 F -0.0003(17) -0.0251(5) 0.012(2) 0.18(2) Uani 0.25 1 d PDU D -1
F62 F 0.0270(12) 0.0037(13) 0.019(2) 0.195(18) Uani 0.25 1 d PDU D -1
F63 F 0.0009(10) 0.0080(5) 0.0388(15) 0.22(2) Uani 0.25 1 d PDU D -1
F64 F -0.0264(12) 0.0045(12) -0.0337(13) 0.192(17) Uani 0.25 1 d PDU D -1
B7 B 0.4939(11) -0.0109(10) 0.1893(16) 0.77(4) Uani 0.50 1 d PDU E -1
F71 F 0.5141(17) -0.0287(11) 0.209(2) 0.76(3) Uani 0.50 1 d PDU E -1
F72 F 0.4631(12) -0.0182(12) 0.1592(19) 0.81(4) Uani 0.50 1 d PDU E -1
F73 F 0.4983(16) 0.0024(9) 0.168(2) 0.74(3) Uani 0.50 1 d PDU E -1
F74 F 0.4997(15) 0.0018(11) 0.2217(17) 0.78(3) Uani 0.50 1 d PDU E -1
B8 B 0.5078(8) -0.0014(5) 0.0075(12) 0.173(18) Uani 0.25 1 d PDU F -1
F81 F 0.5117(8) -0.0242(4) 0.011(2) 0.163(17) Uani 0.25 1 d PDU F -1
F82 F 0.4918(12) 0.0046(12) 0.019(2) 0.136(16) Uani 0.25 1 d PDU F -1
F83 F 0.5369(8) 0.0089(4) 0.0362(14) 0.198(19) Uani 0.25 1 d PDU F -1
F84 F 0.4910(12) 0.0052(12) -0.0355(12) 0.162(18) Uani 0.25 1 d PDU F -1
B2B B 0.7135(16) 0.2023(12) 0.329(3) 0.55(4) Uiso 0.25 1 d PDU . .
F21B F 0.686(2) 0.1900(17) 0.300(4) 0.56(4) Uiso 0.25 1 d PDU . .
F22B F 0.714(3) 0.2182(16) 0.306(4) 0.55(4) Uiso 0.25 1 d PDU . .
F23B F 0.739(2) 0.1883(16) 0.351(4) 0.54(4) Uiso 0.25 1 d PDU . .
F24B F 0.715(3) 0.2130(18) 0.359(3) 0.55(4) Uiso 0.25 1 d PDU . .
B2C B 0.6151(14) 0.3100(10) 0.351(2) 0.47(3) Uiso 0.25 1 d PDU . .
F21C F 0.6365(18) 0.2957(13) 0.359(3) 0.47(3) Uiso 0.25 1 d PDU . .
F22C F 0.5889(17) 0.3108(15) 0.305(2) 0.47(3) Uiso 0.25 1 d PDU . .
F23C F 0.607(2) 0.3031(14) 0.372(3) 0.46(3) Uiso 0.25 1 d PDU . .
F24C F 0.629(2) 0.3307(11) 0.367(3) 0.47(3) Uiso 0.25 1 d PDU . .
B4B B 0.1141(14) 0.1905(10) -0.117(2) 0.46(3) Uiso 0.25 1 d PDU . .
F41B F 0.0871(16) 0.1898(14) -0.127(3) 0.46(3) Uiso 0.25 1 d PDU . .
F42B F 0.1344(18) 0.2052(13) -0.083(3) 0.48(3) Uiso 0.25 1 d PDU . .
F43B F 0.1279(19) 0.1699(11) -0.105(3) 0.46(3) Uiso 0.25 1 d PDU . .
F44B F 0.108(2) 0.1965(14) -0.154(3) 0.46(3) Uiso 0.25 1 d PDU . .
B4C B 0.2860(18) 0.2009(13) -0.094(3) 0.60(5) Uiso 0.25 1 d PDU . .
F41C F 0.288(3) 0.212(2) -0.064(4) 0.61(5) Uiso 0.25 1 d PDU . .
F42C F 0.312(2) 0.1876(19) -0.071(4) 0.60(5) Uiso 0.25 1 d PDU . .
F43C F 0.259(2) 0.1878(19) -0.122(4) 0.60(5) Uiso 0.25 1 d PDU . .
F44C F 0.285(3) 0.2165(19) -0.119(4) 0.60(5) Uiso 0.25 1 d PDU . .
B6B B -0.0002(13) 0.0741(9) 0.121(2) 0.45(3) Uiso 0.25 1 d PDU . .
F61B F 0.0257(15) 0.0631(13) 0.159(2) 0.45(3) Uiso 0.25 1 d PDU . .
F62B F 0.001(2) 0.0742(14) 0.090(3) 0.47(3) Uiso 0.25 1 d PDU . .
F63B F 0.000(2) 0.0957(9) 0.132(3) 0.46(3) Uiso 0.25 1 d PDU . .
F64B F -0.0271(15) 0.0634(12) 0.104(3) 0.44(3) Uiso 0.25 1 d PDU . .
N11A N 0.357(3) 0.185(2) 0.299(5) 0.59(9) Uiso 0.40(5) 1 d P G 1
N12A N 0.362(3) 0.192(2) 0.427(5) 0.59(9) Uiso 0.40(5) 1 d P G 1
N13A N 0.350(2) 0.2207(16) 0.388(4) 0.48(7) Uiso 0.40(5) 1 d P G 2
N14A N 0.345(2) 0.2191(18) 0.308(4) 0.51(8) Uiso 0.40(5) 1 d P G 2
N11B N 0.1953(16) 0.0686(11) 0.100(3) 0.33(5) Uiso 0.39(5) 1 d P H 1
N12B N 0.238(2) 0.1034(16) 0.102(3) 0.44(6) Uiso 0.39(5) 1 d P H 1
N13B N 0.182(2) 0.0520(15) 0.053(4) 0.44(6) Uiso 0.41(5) 1 d P H 2
N14B N 0.2276(19) 0.1213(15) 0.121(3) 0.42(6) Uiso 0.41(5) 1 d P H 2
N11C N 0.230(2) 0.1004(18) 0.368(4) 0.34(7) Uiso 0.26(4) 1 d P I 1
N12C N 0.1891(19) 0.0806(13) 0.267(3) 0.25(5) Uiso 0.26(4) 1 d P I 1
N13C N 0.2240(18) 0.1231(14) 0.328(3) 0.53(6) Uiso 0.54(4) 1 d P I 2
N14C N 0.1989(19) 0.0641(15) 0.306(3) 0.52(5) Uiso 0.54(4) 1 d P I 2
N11D N 0.5361(15) 0.1920(11) 0.341(3) 0.35(5) Uiso 0.41(5) 1 d P J 1
N12D N 0.4653(18) 0.2007(12) 0.291(3) 0.39(5) Uiso 0.41(5) 1 d P J 1
N13D N 0.462(2) 0.1934(14) 0.247(4) 0.43(6) Uiso 0.39(5) 1 d P J 2
N14D N 0.539(2) 0.2091(17) 0.382(4) 0.47(7) Uiso 0.39(5) 1 d P J 2
N11E N 0.349(2) 0.0963(15) 0.076(3) 0.35(6) Uiso 0.30(4) 1 d P K 1
N12E N 0.425(2) 0.0844(16) 0.115(4) 0.37(6) Uiso 0.30(4) 1 d P K 1
N13E N 0.3876(16) 0.1197(12) 0.110(3) 0.43(5) Uiso 0.50(4) 1 d P K 2
N14E N 0.397(2) 0.0628(14) 0.099(3) 0.50(5) Uiso 0.50(4) 1 d P K 2
N11F N 0.625(3) 0.0586(17) 0.309(4) 0.36(6) Uiso 0.28(4) 1 d P L 1
N12F N 0.6135(18) 0.1169(13) 0.336(3) 0.29(6) Uiso 0.28(4) 1 d P L 1
N13F N 0.594(2) 0.0696(13) 0.291(3) 0.49(5) Uiso 0.52(4) 1 d P L 2
N14F N 0.666(2) 0.0924(15) 0.390(3) 0.57(6) Uiso 0.52(4) 1 d P L 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0036 0.0018 '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'
B B 0.0018 0.0008 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0071 0.0037 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0198 0.0116 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.8533 1.1119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.7601 1.2164 '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
C1A N1A C5A 120.0 . .
C1A N1A Pd1 121.3(14) . .
C5A N1A Pd1 118.7(14) . .
C2A C1A N1A 120.0 . .
C3A C2A C1A 120.0 . .
C4A C3A C2A 120.0 . .
C4A C3A C11A 125(2) . .
C2A C3A C11A 115(2) . .
C5A C4A C3A 120.0 . .
C4A C5A N1A 120.0 . .
C6A N2A C10A 120.0 . .
C6A N2A Pd2 121.9(15) . .
C10A N2A Pd2 118.1(15) . .
C7A C6A N2A 120.0 . .
C8A C7A C6A 120.0 . .
C7A C8A C9A 120.0 . .
C7A C8A C13A 108(2) . .
C9A C8A C13A 131(2) . .
C8A C9A C10A 120.0 . .
C9A C10A N2A 120.0 . .
C12A C11A C3A 177(4) . .
C11A C12A C16A 165(4) . .
C14A C13A C8A 154(3) . .
C13A C14A C20A 151(3) . .
C16A N3A C20A 120.0 . .
C16A N3A Ag1A 127(2) . .
C20A N3A Ag1A 111(2) . .
N3A C16A C17A 120.0 . .
N3A C16A C12A 103(3) . .
C17A C16A C12A 137(3) . .
C16A C17A C18A 120.0 . .
C19A C18A C17A 120.0 . .
C18A C19A C20A 120.0 . .
C19A C20A N3A 120.0 . .
C19A C20A C14A 109(3) . .
N3A C20A C14A 130(3) . .
C1B N1B C5B 120.0 . .
C1B N1B Pd2 117.4(14) . .
C5B N1B Pd2 122.6(14) . .
C2B C1B N1B 120.0 . .
C3B C2B C1B 120.0 . .
C11B C3B C4B 122(2) . .
C11B C3B C2B 118(2) . .
C4B C3B C2B 120.0 . .
C3B C4B C5B 120.0 . .
C4B C5B N1B 120.0 . .
C6B N2B C10B 120.0 . .
C6B N2B Pd3M 117.3(14) . .
C10B N2B Pd3M 122.6(14) . .
C7B C6B N2B 120.0 . .
C6B C7B C8B 120.0 . .
C9B C8B C7B 120.0 . .
C9B C8B C13B 121(2) . .
C7B C8B C13B 119(2) . .
C8B C9B C10B 120.0 . .
C9B C10B N2B 120.0 . .
C12B C11B C3B 174(4) . .
C11B C12B C16B 168(4) . .
C14B C13B C8B 167(6) . .
C13B C14B C20B 160(6) . .
C16B N3B C20B 120.0 . .
C16B N3B Ag1B 116.7(17) . .
C20B N3B Ag1B 123.2(17) . .
C17B C16B N3B 120.0 . .
C17B C16B C12B 118(2) . .
N3B C16B C12B 122(2) . .
C16B C17B C18B 120.0 . .
C19B C18B C17B 120.0 . .
C20B C19B C18B 120.0 . .
C14B C20B C19B 122(4) . .
C14B C20B N3B 117(4) . .
C19B C20B N3B 120.0 . .
C1C N1C C5C 120.0 . .
C1C N1C Pd3M 120.4(15) . .
C5C N1C Pd3M 119.6(15) . .
N1C C1C C2C 120.0 . .
C3C C2C C1C 120.0 . .
C2C C3C C4C 120.0 . .
C2C C3C C11C 119(2) . .
C4C C3C C11C 121(2) . .
C5C C4C C3C 120.0 . .
C4C C5C N1C 120.0 . .
C6C N2C C10C 120.0 . .
C6C N2C Pd1 120.2(15) . .
C10C N2C Pd1 119.8(15) . .
N2C C6C C7C 120.0 . .
C8C C7C C6C 120.0 . .
C13C C8C C7C 116(2) . .
C13C C8C C9C 124(2) . .
C7C C8C C9C 120.0 . .
C8C C9C C10C 120.0 . .
C9C C10C N2C 120.0 . .
C12C C11C C3C 168(5) . .
C11C C12C C16C 154(5) . .
C14C C13C C8C 175(4) . .
C13C C14C C20C 171(5) . .
C16C N3C C20C 120.0 . .
C16C N3C Ag1C 121(2) . .
C20C N3C Ag1C 119(2) . .
C12C C16C C17C 124(3) . .
C12C C16C N3C 114(3) . .
C17C C16C N3C 120.0 . .
C18C C17C C16C 120.0 . .
C17C C18C C19C 120.0 . .
C20C C19C C18C 120.0 . .
C19C C20C N3C 120.0 . .
C19C C20C C14C 122(3) . .
N3C C20C C14C 118(3) . .
C1D N1D C5D 120.0 . .
C1D N1D Pd2 122.8(14) . .
C5D N1D Pd2 117.2(14) . .
C2D C1D N1D 120.0 . .
C1D C2D C3D 120.0 . .
C4D C3D C2D 120.0 . .
C4D C3D C11D 126(2) . .
C2D C3D C11D 113(2) . .
C5D C4D C3D 120.0 . .
C4D C5D N1D 120.0 . .
C6D N2D C10D 120.0 . .
C6D N2D Pd1 122.1(15) . 2_656
C10D N2D Pd1 117.9(15) . 2_656
C7D C6D N2D 120.0 . .
C6D C7D C8D 120.0 . .
C9D C8D C7D 120.0 . .
C9D C8D C13D 126(2) . .
C7D C8D C13D 114(2) . .
C10D C9D C8D 120.0 . .
C9D C10D N2D 120.0 . .
C12D C11D C3D 166(3) . .
C11D C12D C16D 161(5) . .
C14D C13D C8D 168(4) . .
C13D C14D C20D 162(6) . .
C16D N3D C20D 120.0 . .
C16D N3D Ag1D 119.5(18) . .
C20D N3D Ag1D 120.2(18) . .
C12D C16D N3D 120(3) . .
C12D C16D C17D 119(3) . .
N3D C16D C17D 120.0 . .
C18D C17D C16D 120.0 . .
C17D C18D C19D 120.0 . .
C20D C19D C18D 120.0 . .
C14D C20D C19D 122(3) . .
C14D C20D N3D 117(3) . .
C19D C20D N3D 120.0 . .
C1E N1E C5E 120.0 . .
C1E N1E Pd2 118.7(13) . .
C5E N1E Pd2 121.3(13) . .
N1E C1E C2E 120.0 . .
C3E C2E C1E 120.0 . .
C2E C3E C4E 120.0 . .
C2E C3E C11E 117(2) . .
C4E C3E C11E 123(2) . .
C3E C4E C5E 120.0 . .
C4E C5E N1E 120.0 . .
C6E N2E C10E 120.0 . .
C6E N2E Pd4M 120.8(17) . .
C10E N2E Pd4M 119.2(17) . .
C7E C6E N2E 120.0 . .
C8E C7E C6E 120.0 . .
C7E C8E C9E 120.0 . .
C7E C8E C13E 115(2) . .
C9E C8E C13E 125(2) . .
C10E C9E C8E 120.0 . .
C9E C10E N2E 120.0 . .
C12E C11E C3E 165(4) . .
C11E C12E C16E 154(5) . .
C14E C13E C8E 162(5) . .
C13E C14E C20E 147(6) . .
C16E N3E C20E 120.0 . .
C16E N3E Ag1E 116.7(19) . .
C20E N3E Ag1E 122.4(19) . .
C12E C16E C17E 113(3) . .
C12E C16E N3E 126(3) . .
C17E C16E N3E 120.0 . .
C18E C17E C16E 120.0 . .
C17E C18E C19E 120.0 . .
C18E C19E C20E 120.0 . .
C14E C20E C19E 127(4) . .
C14E C20E N3E 111(4) . .
C19E C20E N3E 120.0 . .
C1F N1F C5F 120.0 . .
C1F N1F Pd4M 125.8(17) . .
C5F N1F Pd4M 114.1(18) . .
C2F C1F N1F 120.0 . .
C3F C2F C1F 120.0 . .
C2F C3F C4F 120.0 . .
C2F C3F C11F 110(3) . .
C4F C3F C11F 130(2) . .
C5F C4F C3F 120.0 . .
C4F C5F N1F 120.0 . .
C6F N2F C10F 120.0 . .
C6F N2F Pd1 121.3(17) . 2_656
C10F N2F Pd1 118.6(17) . 2_656
N2F C6F C7F 120.0 . .
C8F C7F C6F 120.0 . .
C13F C8F C7F 112(3) . .
C13F C8F C9F 127(3) . .
C7F C8F C9F 120.0 . .
C10F C9F C8F 120.0 . .
C9F C10F N2F 120.0 . .
C12F C11F C3F 172(4) . .
C11F C12F C16F 157(5) . .
C14F C13F C8F 167(5) . .
C13F C14F C20F 170(5) . .
C16F N3F C20F 120.0 . .
C16F N3F Ag1F 122(2) . .
C20F N3F Ag1F 118(2) . .
C12F C16F C17F 126(3) . .
C12F C16F N3F 113(3) . .
C17F C16F N3F 120.0 . .
C16F C17F C18F 120.0 . .
C17F C18F C19F 120.0 . .
C20F C19F C18F 120.0 . .
C14F C20F C19F 117(3) . .
C14F C20F N3F 123(3) . .
C19F C20F N3F 120.0 . .
N1A Pd1 N2D 88.8(6) . 2_656
N1A Pd1 N2C 90.0(7) . .
N2D Pd1 N2C 177.4(9) 2_656 .
N1A Pd1 N2F 178.2(11) . 2_656
N2D Pd1 N2F 91.2(6) 2_656 2_656
N2C Pd1 N2F 89.9(6) . 2_656
N2A Pd2 N1D 90.0(6) . .
N2A Pd2 N1B 89.0(6) . .
N1D Pd2 N1B 178.4(9) . .
N2A Pd2 N1E 179.2(8) . .
N1D Pd2 N1E 90.4(6) . .
N1B Pd2 N1E 90.5(6) . .
N1C Pd3M N1C 89.7(8) 6 .
N1C Pd3M N2B 179.1(9) 6 .
N1C Pd3M N2B 90.6(6) . .
N1C Pd3M N2B 90.6(6) 6 6
N1C Pd3M N2B 179.1(9) . 6
N2B Pd3M N2B 89.0(8) . 6
N2E Pd4M N2E 89.1(8) 6 .
N2E Pd4M N1F 176.3(11) 6 .
N2E Pd4M N1F 90.8(6) . .
N2E Pd4M N1F 90.8(6) 6 6
N2E Pd4M N1F 176.3(11) . 6
N1F Pd4M N1F 89.1(8) . 6
N3A Ag1A N14A 120(2) . .
N3A Ag1A N13A 114.5(19) . .
N14A Ag1A N13A 65(3) . .
N3A Ag1A N11A 140.9(18) . .
N14A Ag1A N11A 24(2) . .
N13A Ag1A N11A 72(3) . .
N3A Ag1A N12A 130.6(18) . .
N14A Ag1A N12A 72(3) . .
N13A Ag1A N12A 22(2) . .
N11A Ag1A N12A 69(2) . .
N3B Ag1B N11B 139.5(17) . .
N3B Ag1B N14B 143.8(19) . .
N11B Ag1B N14B 77(2) . .
N3B Ag1B N12B 141(2) . .
N11B Ag1B N12B 67(2) . .
N14B Ag1B N12B 33(2) . .
N3B Ag1B N13B 112(2) . .
N11B Ag1B N13B 33.9(19) . .
N14B Ag1B N13B 99(3) . .
N12B Ag1B N13B 75(2) . .
N3C Ag1C N12C 143(2) . .
N3C Ag1C N11C 137(3) . .
N12C Ag1C N11C 76(3) . .
N3C Ag1C N13C 140.6(19) . .
N12C Ag1C N13C 72(2) . .
N11C Ag1C N13C 42(2) . .
N3C Ag1C N14C 137.3(19) . .
N12C Ag1C N14C 34(2) . .
N11C Ag1C N14C 60(3) . .
N13C Ag1C N14C 81(2) . .
N3D Ag1D N13D 134(2) . .
N3D Ag1D N12D 141.9(17) . .
N13D Ag1D N12D 38(2) . .
N3D Ag1D N11D 145.6(15) . .
N13D Ag1D N11D 75(3) . .
N12D Ag1D N11D 72(2) . .
N3D Ag1D N14D 131(2) . .
N13D Ag1D N14D 95(3) . .
N12D Ag1D N14D 69(3) . .
N11D Ag1D N14D 39(2) . .
N3E Ag1E N13E 140.9(18) . .
N3E Ag1E N12E 144(2) . .
N13E Ag1E N12E 72(3) . .
N3E Ag1E N11E 127(2) . .
N13E Ag1E N11E 47(2) . .
N12E Ag1E N11E 85(3) . .
N3E Ag1E N14E 138.5(19) . .
N13E Ag1E N14E 77(2) . .
N12E Ag1E N14E 37(2) . .
N11E Ag1E N14E 61(2) . .
N3F Ag1F N12F 143(2) . .
N3F Ag1F N13F 142(2) . .
N12F Ag1F N13F 73(3) . .
N3F Ag1F N11F 116(2) . .
N12F Ag1F N11F 92(3) . .
N13F Ag1F N11F 31.6(19) . .
N3F Ag1F N14F 115.8(19) . .
N12F Ag1F N14F 55(2) . .
N13F Ag1F N14F 72(3) . .
N11F Ag1F N14F 63(3) . .
F11 B1 F14 100(2) . .
F11 B1 F12 108(3) . .
F14 B1 F12 107(2) . .
F11 B1 F13 109(2) . .
F14 B1 F13 111(3) . .
F12 B1 F13 119(3) . .
F24 B2 F23 122(2) . .
F24 B2 F22 105(2) . .
F23 B2 F22 106(2) . .
F24 B2 F21 109(2) . .
F23 B2 F21 104(2) . .
F22 B2 F21 109(3) . .
F31 B3 F34 103(2) . .
F31 B3 F32 108(2) . .
F34 B3 F32 114(3) . .
F31 B3 F33 110(3) . .
F34 B3 F33 108(2) . .
F32 B3 F33 113(3) . .
F42 B4 F43 110(2) . .
F42 B4 F41 120(2) . .
F43 B4 F41 106(2) . .
F42 B4 F44 107(2) . .
F43 B4 F44 109(2) . .
F41 B4 F44 104(2) . .
F52 B5 F54 109.1(17) . .
F52 B5 F53 109.9(18) . .
F54 B5 F53 110.4(18) . .
F52 B5 F51 107.8(17) . .
F54 B5 F51 109.8(18) . .
F53 B5 F51 109.8(18) . .
F61 B6 F63 110.3(18) . .
F61 B6 F64 109.3(18) . .
F63 B6 F64 109.0(18) . .
F61 B6 F62 109.1(18) . .
F63 B6 F62 108.9(18) . .
F64 B6 F62 110.2(17) . .
F73 B7 F71 110(2) . .
F73 B7 F72 110(2) . .
F71 B7 F72 110(2) . .
F73 B7 F74 108(2) . .
F71 B7 F74 110(2) . .
F72 B7 F74 109(2) . .
F81 B8 F84 109.5(18) . .
F81 B8 F83 109.5(18) . .
F84 B8 F83 108.8(17) . .
F81 B8 F82 109.1(18) . .
F84 B8 F82 110.3(18) . .
F83 B8 F82 109.7(18) . .
F23B B2B F24B 110(3) . .
F23B B2B F22B 110(3) . .
F24B B2B F22B 108(3) . .
F23B B2B F21B 109(3) . .
F24B B2B F21B 110(3) . .
F22B B2B F21B 110(3) . .
F22C B2C F24C 110(3) . .
F22C B2C F21C 108(3) . .
F24C B2C F21C 109(3) . .
F22C B2C F23C 110(3) . .
F24C B2C F23C 108(3) . .
F21C B2C F23C 112(3) . .
F41B B4B F43B 110(3) . .
F41B B4B F44B 111(3) . .
F43B B4B F44B 107(3) . .
F41B B4B F42B 108(3) . .
F43B B4B F42B 109(3) . .
F44B B4B F42B 112(3) . .
F43C B4C F44C 110(3) . .
F43C B4C F42C 109(3) . .
F44C B4C F42C 110(3) . .
F43C B4C F41C 110(3) . .
F44C B4C F41C 108(3) . .
F42C B4C F41C 109(3) . .
F64B B6B F63B 109.6(18) . .
F64B B6B F61B 109.1(18) . .
F63B B6B F61B 109.6(18) . .
F64B B6B F62B 109.9(18) . .
F63B B6B F62B 108.9(18) . .
F61B B6B F62B 109.8(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1A C1A 1.3900 .
N1A C5A 1.3900 .
N1A Pd1 1.992(12) .
C1A C2A 1.3900 .
C2A C3A 1.3900 .
C3A C4A 1.3900 .
C3A C11A 1.411(10) .
C4A C5A 1.3900 .
N2A C6A 1.3900 .
N2A C10A 1.3900 .
N2A Pd2 2.002(12) .
C6A C7A 1.3900 .
C7A C8A 1.3900 .
C8A C9A 1.3900 .
C8A C13A 1.408(10) .
C9A C10A 1.3900 .
C11A C12A 1.212(10) .
C12A C16A 1.430(10) .
C13A C14A 1.214(10) .
C14A C20A 1.429(10) .
N3A C16A 1.3900 .
N3A C20A 1.3900 .
N3A Ag1A 2.180(15) .
C16A C17A 1.3900 .
C17A C18A 1.3900 .
C18A C19A 1.3900 .
C19A C20A 1.3900 .
N1B C1B 1.3900 .
N1B C5B 1.3900 .
N1B Pd2 2.024(13) .
C1B C2B 1.3900 .
C2B C3B 1.3900 .
C3B C11B 1.33(3) .
C3B C4B 1.3900 .
C4B C5B 1.3900 .
N2B C6B 1.3900 .
N2B C10B 1.3900 .
N2B Pd3M 2.044(13) .
C6B C7B 1.3900 .
C7B C8B 1.3900 .
C8B C9B 1.3900 .
C8B C13B 1.47(4) .
C9B C10B 1.3900 .
C11B C12B 1.216(10) .
C12B C16B 1.41(3) .
C13B C14B 1.217(10) .
C14B C20B 1.23(4) .
N3B C16B 1.3900 .
N3B C20B 1.3900 .
N3B Ag1B 2.080(19) .
C16B C17B 1.3900 .
C17B C18B 1.3900 .
C18B C19B 1.3900 .
C19B C20B 1.3900 .
N1C C1C 1.3900 .
N1C C5C 1.3900 .
N1C Pd3M 2.014(14) .
C1C C2C 1.3900 .
C2C C3C 1.3900 .
C3C C4C 1.3900 .
C3C C11C 1.44(3) .
C4C C5C 1.3900 .
N2C C6C 1.3900 .
N2C C10C 1.3900 .
N2C Pd1 2.025(14) .
C6C C7C 1.3900 .
C7C C8C 1.3900 .
C8C C13C 1.34(3) .
C8C C9C 1.3900 .
C9C C10C 1.3900 .
C11C C12C 1.216(10) .
C12C C16C 1.34(3) .
C13C C14C 1.215(10) .
C14C C20C 1.40(3) .
N3C C16C 1.3900 .
N3C C20C 1.3900 .
N3C Ag1C 2.122(16) .
C16C C17C 1.3900 .
C17C C18C 1.3900 .
C18C C19C 1.3900 .
C19C C20C 1.3900 .
N1D C1D 1.3900 .
N1D C5D 1.3900 .
N1D Pd2 2.019(13) .
C1D C2D 1.3900 .
C2D C3D 1.3900 .
C3D C4D 1.3900 .
C3D C11D 1.45(3) .
C4D C5D 1.3900 .
N2D C6D 1.3900 .
N2D C10D 1.3900 .
N2D Pd1 2.025(13) 2_656
C6D C7D 1.3900 .
C7D C8D 1.3900 .
C8D C9D 1.3900 .
C8D C13D 1.51(3) .
C9D C10D 1.3900 .
C11D C12D 1.209(10) .
C12D C16D 1.29(3) .
C13D C14D 1.211(10) .
C14D C20D 1.27(3) .
N3D C16D 1.3900 .
N3D C20D 1.3900 .
N3D Ag1D 2.110(17) .
C16D C17D 1.3900 .
C17D C18D 1.3900 .
C18D C19D 1.3900 .
C19D C20D 1.3900 .
N1E C1E 1.3900 .
N1E C5E 1.3900 .
N1E Pd2 2.057(13) .
C1E C2E 1.3900 .
C2E C3E 1.3900 .
C3E C4E 1.3900 .
C3E C11E 1.40(3) .
C4E C5E 1.3900 .
N2E C6E 1.3900 .
N2E C10E 1.3900 .
N2E Pd4M 2.014(14) .
C6E C7E 1.3900 .
C7E C8E 1.3900 .
C8E C9E 1.3901 .
C8E C13E 1.63(4) .
C9E C10E 1.3900 .
C11E C12E 1.213(10) .
C12E C16E 1.30(3) .
C13E C14E 1.220(10) .
C14E C20E 1.25(4) .
N3E C16E 1.3900 .
N3E C20E 1.3900 .
N3E Ag1E 2.13(2) .
C16E C17E 1.3900 .
C17E C18E 1.3900 .
C18E C19E 1.3900 .
C19E C20E 1.3900 .
N1F C1F 1.3900 .
N1F C5F 1.3900 .
N1F Pd4M 2.029(14) .
C1F C2F 1.3900 .
C2F C3F 1.3900 .
C3F C4F 1.3900 .
C3F C11F 1.52(3) .
C4F C5F 1.3900 .
N2F C6F 1.3900 .
N2F C10F 1.3900 .
N2F Pd1 2.033(16) 2_656
C6F C7F 1.3900 .
C7F C8F 1.3900 .
C8F C13F 1.38(3) .
C8F C9F 1.3900 .
C9F C10F 1.3900 .
C11F C12F 1.216(10) .
C12F C16F 1.29(3) .
C13F C14F 1.212(10) .
C14F C20F 1.30(3) .
N3F C16F 1.3900 .
N3F C20F 1.3900 .
N3F Ag1F 2.107(18) .
C16F C17F 1.3900 .
C17F C18F 1.3900 .
C18F C19F 1.3900 .
C19F C20F 1.3900 .
Pd1 N2D 2.025(14) 2_656
Pd1 N2F 2.033(16) 2_656
Pd3M N1C 2.014(14) 6
Pd3M N2B 2.044(13) 6
Pd4M N2E 2.014(14) 6
Pd4M N1F 2.029(14) 6
Ag1A N14A 2.92(10) .
Ag1A N13A 3.13(11) .
Ag1A N11A 4.66(13) .
Ag1A N12A 4.75(15) .
Ag1B N11B 2.82(7) .
Ag1B N14B 2.89(9) .
Ag1B N12B 3.15(9) .
Ag1B N13B 3.36(9) .
Ag1C N12C 2.65(8) .
Ag1C N11C 2.84(11) .
Ag1C N13C 2.83(8) .
Ag1C N14C 2.97(9) .
Ag1D N13D 2.69(9) .
Ag1D N12D 2.74(8) .
Ag1D N11D 2.77(7) .
Ag1D N14D 3.11(11) .
Ag1E N13E 2.58(8) .
Ag1E N12E 2.63(10) .
Ag1E N11E 2.97(10) .
Ag1E N14E 3.14(9) .
Ag1F N12F 2.54(9) .
Ag1F N13F 2.83(8) .
Ag1F N11F 2.97(10) .
Ag1F N14F 3.21(10) .
B1 F11 1.384(19) .
B1 F14 1.386(19) .
B1 F12 1.396(19) .
B1 F13 1.398(19) .
B2 F24 1.374(18) .
B2 F23 1.375(19) .
B2 F22 1.390(19) .
B2 F21 1.390(19) .
B3 F31 1.389(19) .
B3 F34 1.393(19) .
B3 F32 1.399(19) .
B3 F33 1.405(19) .
B4 F42 1.386(19) .
B4 F43 1.387(19) .
B4 F41 1.389(19) .
B4 F44 1.391(19) .
B5 F52 1.391(18) .
B5 F54 1.394(18) .
B5 F53 1.395(18) .
B5 F51 1.407(18) .
B6 F61 1.402(18) .
B6 F63 1.404(18) .
B6 F64 1.406(19) .
B6 F62 1.407(18) .
B7 F73 1.39(2) .
B7 F71 1.40(2) .
B7 F72 1.40(2) .
B7 F74 1.40(4) .
B8 F81 1.403(18) .
B8 F84 1.404(18) .
B8 F83 1.404(18) .
B8 F82 1.404(18) .
B2B F23B 1.398(19) .
B2B F24B 1.399(19) .
B2B F22B 1.399(19) .
B2B F21B 1.400(19) .
B2C F22C 1.396(19) .
B2C F24C 1.396(19) .
B2C F21C 1.397(19) .
B2C F23C 1.397(19) .
B4B F41B 1.394(19) .
B4B F43B 1.395(19) .
B4B F44B 1.399(19) .
B4B F42B 1.399(19) .
B4C F43C 1.398(19) .
B4C F44C 1.400(19) .
B4C F42C 1.400(19) .
B4C F41C 1.402(19) .
B6B F64B 1.398(18) .
B6B F63B 1.399(18) .
B6B F61B 1.401(19) .
B6B F62B 1.402(18) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C5A N1A C1A C2A 0.0 . .
Pd1 N1A C1A C2A 178.8(12) . .
N1A C1A C2A C3A 0.0 . .
C1A C2A C3A C4A 0.0 . .
C1A C2A C3A C11A -179(2) . .
C2A C3A C4A C5A 0.0 . .
C11A C3A C4A C5A 179(3) . .
C3A C4A C5A N1A 0.0 . .
C1A N1A C5A C4A 0.0 . .
Pd1 N1A C5A C4A -178.8(12) . .
C10A N2A C6A C7A 0.0 . .
Pd2 N2A C6A C7A 179.8(11) . .
N2A C6A C7A C8A 0.0 . .
C6A C7A C8A C9A 0.0 . .
C6A C7A C8A C13A 175(2) . .
C7A C8A C9A C10A 0.0 . .
C13A C8A C9A C10A -174(3) . .
C8A C9A C10A N2A 0.0 . .
C6A N2A C10A C9A 0.0 . .
Pd2 N2A C10A C9A -179.8(10) . .
C4A C3A C11A C12A -3(100) . .
C2A C3A C11A C12A 176(100) . .
C3A C11A C12A C16A -33(100) . .
C7A C8A C13A C14A 152(9) . .
C9A C8A C13A C14A -33(11) . .
C8A C13A C14A C20A 155(6) . .
C20A N3A C16A C17A 0.0 . .
Ag1A N3A C16A C17A -165.8(16) . .
C20A N3A C16A C12A -177(2) . .
Ag1A N3A C16A C12A 17(2) . .
C11A C12A C16A N3A -144(16) . .
C11A C12A C16A C17A 39(18) . .
N3A C16A C17A C18A 0.0 . .
C12A C16A C17A C18A 176(3) . .
C16A C17A C18A C19A 0.0 . .
C17A C18A C19A C20A 0.0 . .
C18A C19A C20A N3A 0.0 . .
C18A C19A C20A C14A -174(2) . .
C16A N3A C20A C19A 0.0 . .
Ag1A N3A C20A C19A 167.9(13) . .
C16A N3A C20A C14A 172(3) . .
Ag1A N3A C20A C14A -20(3) . .
C13A C14A C20A C19A -130(8) . .
C13A C14A C20A N3A 57(9) . .
C5B N1B C1B C2B 0.0 . .
Pd2 N1B C1B C2B 179.1(11) . .
N1B C1B C2B C3B 0.0 . .
C1B C2B C3B C11B 178(2) . .
C1B C2B C3B C4B 0.0 . .
C11B C3B C4B C5B -178(2) . .
C2B C3B C4B C5B 0.0 . .
C3B C4B C5B N1B 0.0 . .
C1B N1B C5B C4B 0.0 . .
Pd2 N1B C5B C4B -179.1(11) . .
C10B N2B C6B C7B 0.0 . .
Pd3M N2B C6B C7B -176.5(10) . .
N2B C6B C7B C8B 0.0 . .
C6B C7B C8B C9B 0.0 . .
C6B C7B C8B C13B -180(3) . .
C7B C8B C9B C10B 0.0 . .
C13B C8B C9B C10B 180(3) . .
C8B C9B C10B N2B 0.0 . .
C6B N2B C10B C9B 0.0 . .
Pd3M N2B C10B C9B 176.3(11) . .
C4B C3B C11B C12B 11(43) . .
C2B C3B C11B C12B -167(41) . .
C3B C11B C12B C16B -110(42) . .
C9B C8B C13B C14B -44(26) . .
C7B C8B C13B C14B 136(24) . .
C8B C13B C14B C20B 144(17) . .
C20B N3B C16B C17B 0.0 . .
Ag1B N3B C16B C17B -178(2) . .
C20B N3B C16B C12B -175(3) . .
Ag1B N3B C16B C12B 7(3) . .
C11B C12B C16B C17B 109(20) . .
C11B C12B C16B N3B -76(20) . .
N3B C16B C17B C18B 0.0 . .
C12B C16B C17B C18B 175(3) . .
C16B C17B C18B C19B 0.0 . .
C17B C18B C19B C20B 0.0 . .
C13B C14B C20B C19B -117(18) . .
C13B C14B C20B N3B 75(20) . .
C18B C19B C20B C14B -168(4) . .
C18B C19B C20B N3B 0.0 . .
C16B N3B C20B C14B 168(4) . .
Ag1B N3B C20B C14B -14(4) . .
C16B N3B C20B C19B 0.0 . .
Ag1B N3B C20B C19B 178(2) . .
C5C N1C C1C C2C 0.0 . .
Pd3M N1C C1C C2C 178.8(11) . .
N1C C1C C2C C3C 0.0 . .
C1C C2C C3C C4C 0.0 . .
C1C C2C C3C C11C -176(2) . .
C2C C3C C4C C5C 0.0 . .
C11C C3C C4C C5C 176(2) . .
C3C C4C C5C N1C 0.0 . .
C1C N1C C5C C4C 0.0 . .
Pd3M N1C C5C C4C -178.9(11) . .
C10C N2C C6C C7C 0.0 . .
Pd1 N2C C6C C7C -179.1(11) . .
N2C C6C C7C C8C 0.0 . .
C6C C7C C8C C13C -178(3) . .
C6C C7C C8C C9C 0.0 . .
C13C C8C C9C C10C 178(3) . .
C7C C8C C9C C10C 0.0 . .
C8C C9C C10C N2C 0.0 . .
C6C N2C C10C C9C 0.0 . .
Pd1 N2C C10C C9C 179.1(11) . .
C2C C3C C11C C12C -100(21) . .
C4C C3C C11C C12C 83(22) . .
C3C C11C C12C C16C -158(15) . .
C7C C8C C13C C14C 174(100) . .
C9C C8C C13C C14C -4(63) . .
C8C C13C C14C C20C 77(77) . .
C11C C12C C16C C17C 94(11) . .
C11C C12C C16C N3C -104(10) . .
C20C N3C C16C C12C -162(3) . .
Ag1C N3C C16C C12C 22(3) . .
C20C N3C C16C C17C 0.0 . .
Ag1C N3C C16C C17C -176(2) . .
C12C C16C C17C C18C 161(4) . .
N3C C16C C17C C18C 0.0 . .
C16C C17C C18C C19C 0.0 . .
C17C C18C C19C C20C 0.0 . .
C18C C19C C20C N3C 0.0 . .
C18C C19C C20C C14C 180(3) . .
C16C N3C C20C C19C 0.0 . .
Ag1C N3C C20C C19C 176(2) . .
C16C N3C C20C C14C -180(3) . .
Ag1C N3C C20C C14C -4(3) . .
C13C C14C C20C C19C -81(29) . .
C13C C14C C20C N3C 99(29) . .
C5D N1D C1D C2D 0.0 . .
Pd2 N1D C1D C2D 177.7(11) . .
N1D C1D C2D C3D 0.0 . .
C1D C2D C3D C4D 0.0 . .
C1D C2D C3D C11D -177(2) . .
C2D C3D C4D C5D 0.0 . .
C11D C3D C4D C5D 176(2) . .
C3D C4D C5D N1D 0.0 . .
C1D N1D C5D C4D 0.0 . .
Pd2 N1D C5D C4D -177.8(10) . .
C10D N2D C6D C7D 0.0 . .
Pd1 N2D C6D C7D -177.3(12) 2_656 .
N2D C6D C7D C8D 0.0 . .
C6D C7D C8D C9D 0.0 . .
C6D C7D C8D C13D 178(2) . .
C7D C8D C9D C10D 0.0 . .
C13D C8D C9D C10D -178(2) . .
C8D C9D C10D N2D 0.0 . .
C6D N2D C10D C9D 0.0 . .
Pd1 N2D C10D C9D 177.4(11) 2_656 .
C4D C3D C11D C12D 34(19) . .
C2D C3D C11D C12D -149(17) . .
C3D C11D C12D C16D -139(14) . .
C9D C8D C13D C14D -37(23) . .
C7D C8D C13D C14D 145(21) . .
C8D C13D C14D C20D 131(18) . .
C11D C12D C16D N3D -73(14) . .
C11D C12D C16D C17D 119(12) . .
C20D N3D C16D C12D -169(3) . .
Ag1D N3D C16D C12D 18(3) . .
C20D N3D C16D C17D 0.0 . .
Ag1D N3D C16D C17D -174(2) . .
C12D C16D C17D C18D 169(3) . .
N3D C16D C17D C18D 0.0 . .
C16D C17D C18D C19D 0.0 . .
C17D C18D C19D C20D 0.0 . .
C13D C14D C20D C19D -105(15) . .
C13D C14D C20D N3D 82(16) . .
C18D C19D C20D C14D -173(4) . .
C18D C19D C20D N3D 0.0 . .
C16D N3D C20D C14D 173(4) . .
Ag1D N3D C20D C14D -13(4) . .
C16D N3D C20D C19D 0.0 . .
Ag1D N3D C20D C19D 174(2) . .
C5E N1E C1E C2E 0.0 . .
Pd2 N1E C1E C2E -177.9(10) . .
N1E C1E C2E C3E 0.0 . .
C1E C2E C3E C4E 0.0 . .
C1E C2E C3E C11E 179(2) . .
C2E C3E C4E C5E 0.0 . .
C11E C3E C4E C5E -179(2) . .
C3E C4E C5E N1E 0.0 . .
C1E N1E C5E C4E 0.0 . .
Pd2 N1E C5E C4E 177.8(10) . .
C10E N2E C6E C7E 0.0 . .
Pd4M N2E C6E C7E 177.3(10) . .
N2E C6E C7E C8E 0.0 . .
C6E C7E C8E C9E 0.0 . .
C6E C7E C8E C13E -178(2) . .
C7E C8E C9E C10E 0.0 . .
C13E C8E C9E C10E 178(2) . .
C8E C9E C10E N2E 0.0 . .
C6E N2E C10E C9E 0.0 . .
Pd4M N2E C10E C9E -177.3(10) . .
C2E C3E C11E C12E 140(19) . .
C4E C3E C11E C12E -41(21) . .
C3E C11E C12E C16E 154(12) . .
C7E C8E C13E C14E -115(18) . .
C9E C8E C13E C14E 67(18) . .
C8E C13E C14E C20E -146(12) . .
C11E C12E C16E C17E -123(11) . .
C11E C12E C16E N3E 68(12) . .
C20E N3E C16E C12E 168(4) . .
Ag1E N3E C16E C12E -22(3) . .
C20E N3E C16E C17E 0.0 . .
Ag1E N3E C16E C17E 169(2) . .
C12E C16E C17E C18E -170(3) . .
N3E C16E C17E C18E 0.0 . .
C16E C17E C18E C19E 0.0 . .
C17E C18E C19E C20E 0.0 . .
C13E C14E C20E C19E 95(12) . .
C13E C14E C20E N3E -98(12) . .
C18E C19E C20E C14E 165(4) . .
C18E C19E C20E N3E 0.0 . .
C16E N3E C20E C14E -168(3) . .
Ag1E N3E C20E C14E 24(3) . .
C16E N3E C20E C19E 0.0 . .
Ag1E N3E C20E C19E -169(2) . .
C5F N1F C1F C2F 0.0 . .
Pd4M N1F C1F C2F -177.2(11) . .
N1F C1F C2F C3F 0.0 . .
C1F C2F C3F C4F 0.0 . .
C1F C2F C3F C11F -179(2) . .
C2F C3F C4F C5F 0.0 . .
C11F C3F C4F C5F 178(2) . .
C3F C4F C5F N1F 0.0 . .
C1F N1F C5F C4F 0.0 . .
Pd4M N1F C5F C4F 177.5(10) . .
C10F N2F C6F C7F 0.0 . .
Pd1 N2F C6F C7F 176.6(11) 2_656 .
N2F C6F C7F C8F 0.0 . .
C6F C7F C8F C13F 175(2) . .
C6F C7F C8F C9F 0.0 . .
C13F C8F C9F C10F -175(3) . .
C7F C8F C9F C10F 0.0 . .
C8F C9F C10F N2F 0.0 . .
C6F N2F C10F C9F 0.0 . .
Pd1 N2F C10F C9F -176.7(11) 2_656 .
C2F C3F C11F C12F 125(36) . .
C4F C3F C11F C12F -53(37) . .
C3F C11F C12F C16F 126(32) . .
C7F C8F C13F C14F 164(21) . .
C9F C8F C13F C14F -21(23) . .
C8F C13F C14F C20F -114(29) . .
C11F C12F C16F C17F -81(13) . .
C11F C12F C16F N3F 109(13) . .
C20F N3F C16F C12F 171(3) . .
Ag1F N3F C16F C12F -19(3) . .
C20F N3F C16F C17F 0.0 . .
Ag1F N3F C16F C17F 170(2) . .
C12F C16F C17F C18F -169(4) . .
N3F C16F C17F C18F 0.0 . .
C16F C17F C18F C19F 0.0 . .
C17F C18F C19F C20F 0.0 . .
C13F C14F C20F C19F 139(29) . .
C13F C14F C20F N3F -45(31) . .
C18F C19F C20F C14F 176(3) . .
C18F C19F C20F N3F 0.0 . .
C16F N3F C20F C14F -176(4) . .
Ag1F N3F C20F C14F 13(3) . .
C16F N3F C20F C19F 0.0 . .
Ag1F N3F C20F C19F -171(2) . .
C1A N1A Pd1 N2D 91.4(11) . 2_656
C5A N1A Pd1 N2D -89.8(11) . 2_656
C1A N1A Pd1 N2C -86.3(11) . .
C5A N1A Pd1 N2C 92.5(11) . .
C1A N1A Pd1 N2F 2(24) . 2_656
C5A N1A Pd1 N2F -179(100) . 2_656
C6C N2C Pd1 N1A 87.8(11) . .
C10C N2C Pd1 N1A -91.3(11) . .
C6C N2C Pd1 N2D 25(17) . 2_656
C10C N2C Pd1 N2D -154(17) . 2_656
C6C N2C Pd1 N2F -90.4(12) . 2_656
C10C N2C Pd1 N2F 90.5(12) . 2_656
C6A N2A Pd2 N1D -89.2(11) . .
C10A N2A Pd2 N1D 90.6(10) . .
C6A N2A Pd2 N1B 89.5(11) . .
C10A N2A Pd2 N1B -90.7(10) . .
C6A N2A Pd2 N1E 34(61) . .
C10A N2A Pd2 N1E -146(79) . .
C1D N1D Pd2 N2A 89.4(11) . .
C5D N1D Pd2 N2A -92.9(11) . .
C1D N1D Pd2 N1B 35(27) . .
C5D N1D Pd2 N1B -147(26) . .
C1D N1D Pd2 N1E -90.0(11) . .
C5D N1D Pd2 N1E 87.8(10) . .
C1B N1B Pd2 N2A -87.0(11) . .
C5B N1B Pd2 N2A 92.1(12) . .
C1B N1B Pd2 N1D -33(27) . .
C5B N1B Pd2 N1D 146(26) . .
C1B N1B Pd2 N1E 92.4(10) . .
C5B N1B Pd2 N1E -88.6(11) . .
C1E N1E Pd2 N2A -35(61) . .
C5E N1E Pd2 N2A 147(79) . .
C1E N1E Pd2 N1D 88.0(10) . .
C5E N1E Pd2 N1D -89.9(11) . .
C1E N1E Pd2 N1B -90.7(10) . .
C5E N1E Pd2 N1B 91.4(11) . .
C1C N1C Pd3M N1C 88.9(10) . 6
C5C N1C Pd3M N1C -92.2(11) . 6
C1C N1C Pd3M N2B -90.2(11) . .
C5C N1C Pd3M N2B 88.6(11) . .
C1C N1C Pd3M N2B -23(41) . 6
C5C N1C Pd3M N2B 156(100) . 6
C6B N2B Pd3M N1C -23(41) . 6
C10B N2B Pd3M N1C 160(100) . 6
C6B N2B Pd3M N1C 88.4(11) . .
C10B N2B Pd3M N1C -88.0(12) . .
C6B N2B Pd3M N2B -90.8(10) . 6
C10B N2B Pd3M N2B 92.9(10) . 6
C6E N2E Pd4M N2E 90.0(11) . 6
C10E N2E Pd4M N2E -92.7(11) . 6
C6E N2E Pd4M N1F -86.2(11) . .
C10E N2E Pd4M N1F 91.1(12) . .
C6E N2E Pd4M N1F 2(9) . 6
C10E N2E Pd4M N1F 179(100) . 6
C1F N1F Pd4M N2E -3(9) . 6
C5F N1F Pd4M N2E -180(100) . 6
C1F N1F Pd4M N2E 85.6(12) . .
C5F N1F Pd4M N2E -91.7(11) . .
C1F N1F Pd4M N1F -90.7(11) . 6
C5F N1F Pd4M N1F 92.0(11) . 6
C16A N3A Ag1A N14A -136(3) . .
C20A N3A Ag1A N14A 57(3) . .
C16A N3A Ag1A N13A -61(2) . .
C20A N3A Ag1A N13A 132(2) . .
C16A N3A Ag1A N11A -152(3) . .
C20A N3A Ag1A N11A 41(3) . .
C16A N3A Ag1A N12A -44(3) . .
C20A N3A Ag1A N12A 149(2) . .
C16B N3B Ag1B N11B -152(3) . .
C20B N3B Ag1B N11B 31(3) . .
C16B N3B Ag1B N14B 22(4) . .
C20B N3B Ag1B N14B -156(4) . .
C16B N3B Ag1B N12B -33(4) . .
C20B N3B Ag1B N12B 149(3) . .
C16B N3B Ag1B N13B -126(2) . .
C20B N3B Ag1B N13B 56(2) . .
C16C N3C Ag1C N12C 3(4) . .
C20C N3C Ag1C N12C -173(4) . .
C16C N3C Ag1C N11C -146(4) . .
C20C N3C Ag1C N11C 38(4) . .
C16C N3C Ag1C N13C 147(3) . .
C20C N3C Ag1C N13C -29(4) . .
C16C N3C Ag1C N14C -50(4) . .
C20C N3C Ag1C N14C 134(3) . .
C16D N3D Ag1D N13D 26(4) . .
C20D N3D Ag1D N13D -148(3) . .
C16D N3D Ag1D N12D -32(4) . .
C20D N3D Ag1D N12D 155(4) . .
C16D N3D Ag1D N11D 165(3) . .
C20D N3D Ag1D N11D -9(4) . .
C16D N3D Ag1D N14D -140(3) . .
C20D N3D Ag1D N14D 46(3) . .
C16E N3E Ag1E N13E -8(3) . .
C20E N3E Ag1E N13E 161(3) . .
C16E N3E Ag1E N12E -157(4) . .
C20E N3E Ag1E N12E 12(5) . .
C16E N3E Ag1E N11E 56(3) . .
C20E N3E Ag1E N11E -135(3) . .
C16E N3E Ag1E N14E 143(3) . .
C20E N3E Ag1E N14E -48(3) . .
C16F N3F Ag1F N12F -167(3) . .
C20F N3F Ag1F N12F 4(4) . .
C16F N3F Ag1F N13F 34(4) . .
C20F N3F Ag1F N13F -156(3) . .
C16F N3F Ag1F N11F 57(3) . .
C20F N3F Ag1F N11F -132(3) . .
C16F N3F Ag1F N14F 128(2) . .
C20F N3F Ag1F N14F -61(2) . .
