#------------------------------------------------------------------------------
#$Date: 2016-03-21 19:13:01 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178840 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/94/4109487.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_4109487
loop_
_publ_author_name
'Yuki Nishioka'
'Takumi Yamaguchi'
'Michito Yoshizawa'
'Makoto Fujita'
_publ_contact_author             'Makoto Fujita'
_publ_contact_author_email       mfujita@appchem.t.u-tokyo.ac.jp
_publ_section_title
;
 Unusual [2+4] and [2+2] Cycloadditions of Arenes in the Confined Cavity
 of Self-Assembled Cages
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7000
_journal_page_last               7001
_journal_paper_doi               10.1021/ja071591x
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C138 H169 N43 O126 Pd6'
_chemical_formula_weight         5084.56
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.283(12)
_cell_length_b                   26.283(12)
_cell_length_c                   32.15(3)
_cell_measurement_reflns_used    13825
_cell_measurement_temperature    82(2)
_cell_measurement_theta_max      28.80
_cell_measurement_theta_min      2.05
_cell_volume                     22209(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      82(2)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0478
_diffrn_reflns_av_sigmaI/netI    0.0348
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       43
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            94231
_diffrn_reflns_theta_full        28.80
_diffrn_reflns_theta_max         28.80
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.591
_exptl_absorpt_correction_T_max  0.9941
_exptl_absorpt_correction_T_min  0.9941
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.521
_exptl_crystal_density_meas      0
_exptl_crystal_description       block
_exptl_crystal_F_000             10328
_exptl_crystal_size_max          0.01
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.025
_refine_diff_density_min         -1.139
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     816
_refine_ls_number_reflns         13825
_refine_ls_number_restraints     387
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.1218
_refine_ls_R_factor_gt           0.0812
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1112P)²+261.7386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2162
_refine_ls_wR_factor_ref         0.2602
_reflns_number_gt                9326
_reflns_number_total             13825
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja071591xsi20070315_024622.cif
_cod_data_source_block           nishi6
_cod_original_cell_volume        22207(24)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               4109487
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-y+3/4, x+1/4, z+1/4'
'y+3/4, -x+3/4, z+3/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+5/4, x+3/4, z+3/4'
'y+5/4, -x+5/4, z+5/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-3/4, -x-1/4, -z-1/4'
'-y-3/4, x-3/4, -z-3/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y-1/4, -x+1/4, -z+1/4'
'-y-1/4, x-1/4, -z-1/4'
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 0.717131(16) 0.460396(16) 0.626620(12) 0.03391(14) Uani 1 1 d . . .
Pd2 Pd 1.0000 0.2500 0.336002(18) 0.03971(18) Uani 1 2 d S . .
C1L C 0.7324(3) 0.3506(2) 0.6117(2) 0.0494(15) Uani 1 1 d . . .
H1LA H 0.7119 0.3475 0.6358 0.059 Uiso 1 1 calc R . .
C2L C 0.7527(3) 0.3076(3) 0.5943(2) 0.0521(16) Uani 1 1 d . . .
H2LA H 0.7468 0.2754 0.6067 0.063 Uiso 1 1 calc R . .
C3L C 0.7817(3) 0.3113(2) 0.5584(2) 0.0472(15) Uani 1 1 d . . .
C4L C 0.7904(3) 0.3594(3) 0.5414(2) 0.0535(17) Uani 1 1 d . . .
H4LA H 0.8102 0.3633 0.5169 0.064 Uiso 1 1 calc R . .
C5L C 0.7696(3) 0.4014(2) 0.56106(19) 0.0485(15) Uani 1 1 d . . .
H5LA H 0.7758 0.4342 0.5498 0.058 Uiso 1 1 calc R . .
C6L C 0.9381(3) 0.1970(2) 0.3995(2) 0.0498(15) Uani 1 1 d . . .
H6LA H 0.9532 0.1675 0.3877 0.060 Uiso 1 1 calc R . .
C7L C 0.9065(3) 0.1913(2) 0.4335(2) 0.0532(17) Uani 1 1 d . . .
H7LA H 0.9002 0.1584 0.4445 0.064 Uiso 1 1 calc R . .
C8L C 0.8842(3) 0.2336(2) 0.4515(2) 0.0471(14) Uani 1 1 d . . .
C9L C 0.8947(3) 0.2804(2) 0.4343(2) 0.0510(16) Uani 1 1 d . . .
H9LA H 0.8801 0.3103 0.4459 0.061 Uiso 1 1 calc R . .
C10L C 0.9266(3) 0.2838(2) 0.39994(19) 0.0480(15) Uani 1 1 d . . .
H10A H 0.9334 0.3164 0.3884 0.058 Uiso 1 1 calc R . .
C11L C 0.8063(3) 0.1296(2) 0.5570(2) 0.0472(14) Uani 1 1 d . . .
C12L C 0.8272(3) 0.0868(2) 0.5393(2) 0.0536(17) Uani 1 1 d . . .
H12A H 0.8468 0.0891 0.5145 0.064 Uiso 1 1 calc R . .
C13L C 0.8190(3) 0.0404(2) 0.5582(2) 0.0531(17) Uani 1 1 d . . .
H13A H 0.8329 0.0108 0.5457 0.064 Uiso 1 1 calc R . .
C14L C 0.7714(3) 0.0767(2) 0.6104(2) 0.0509(16) Uani 1 1 d . . .
H14A H 0.7515 0.0732 0.6350 0.061 Uiso 1 1 calc R . .
C15L C 0.7779(3) 0.1245(3) 0.5932(2) 0.0579(19) Uani 1 1 d . . .
H15A H 0.7632 0.1536 0.6061 0.070 Uiso 1 1 calc R . .
C16L C 0.8517(3) 0.2291(2) 0.4889(2) 0.0474(14) Uani 1 1 d . . .
C17L C 0.8039(3) 0.2651(2) 0.5390(2) 0.0470(14) Uani 1 1 d . . .
C18L C 0.8155(3) 0.1806(2) 0.5383(2) 0.0459(14) Uani 1 1 d . . .
N1L N 0.7409(2) 0.39730(19) 0.59549(16) 0.0430(11) Uani 1 1 d . . .
N2L N 0.9484(2) 0.24273(19) 0.38242(16) 0.0438(12) Uani 1 1 d . . .
N3L N 0.78529(18) 0.4577(2) 0.65656(16) 0.0420(11) Uani 1 1 d . . .
N4L N 0.8441(2) 0.18256(19) 0.50407(16) 0.0468(12) Uani 1 1 d . . .
N5L N 0.8323(2) 0.27197(19) 0.50479(17) 0.0503(13) Uani 1 1 d . . .
N6L N 0.7941(2) 0.22079(19) 0.55711(17) 0.0492(13) Uani 1 1 d . . .
C1P C 1.0268(4) 0.2401(4) 0.2497(2) 0.083(3) Uani 1 1 d . . .
H1PA H 1.0452 0.2529 0.2249 0.099 Uiso 1 1 calc R . .
H1PB H 1.0266 0.2025 0.2486 0.099 Uiso 1 1 calc R . .
C2P C 1.0991(3) 0.2262(3) 0.2955(2) 0.064(2) Uani 1 1 d . . .
H2PA H 1.1227 0.2309 0.2722 0.096 Uiso 1 1 calc R . .
H2PB H 1.0894 0.1903 0.2974 0.096 Uiso 1 1 calc R . .
H2PC H 1.1158 0.2366 0.3214 0.096 Uiso 1 1 calc R . .
C3P C 1.0693(4) 0.3121(3) 0.2857(3) 0.078(3) Uani 1 1 d . . .
H3PA H 1.0940 0.3156 0.2631 0.118 Uiso 1 1 calc R . .
H3PB H 1.0850 0.3225 0.3120 0.118 Uiso 1 1 calc R . .
H3PC H 1.0397 0.3337 0.2801 0.118 Uiso 1 1 calc R . .
C4P C 0.6157(3) 0.4200(3) 0.6099(3) 0.073(2) Uani 1 1 d . . .
H4PA H 0.5830 0.4221 0.5954 0.110 Uiso 1 1 calc R . .
H4PB H 0.6100 0.4215 0.6400 0.110 Uiso 1 1 calc R . .
H4PC H 0.6325 0.3878 0.6028 0.110 Uiso 1 1 calc R . .
C5P C 0.6537(4) 0.4598(7) 0.5505(3) 0.138(6) Uani 1 1 d . . .
H5PA H 0.6201 0.4606 0.5375 0.206 Uiso 1 1 calc R . .
H5PB H 0.6712 0.4282 0.5429 0.206 Uiso 1 1 calc R . .
H5PC H 0.6738 0.4890 0.5409 0.206 Uiso 1 1 calc R . .
C6P C 0.6246(4) 0.5111(4) 0.6082(5) 0.120(5) Uani 1 1 d . . .
H6PA H 0.6329 0.5362 0.5863 0.144 Uiso 1 1 calc R . .
H6PB H 0.5871 0.5068 0.6084 0.144 Uiso 1 1 calc R . .
C7P C 0.6387(5) 0.5300(5) 0.6447(3) 0.122(5) Uani 1 1 d . . .
H7PA H 0.6170 0.5143 0.6663 0.146 Uiso 1 1 calc R . .
H7PB H 0.6309 0.5668 0.6445 0.146 Uiso 1 1 calc R . .
C8P C 0.7217(6) 0.5682(4) 0.6456(5) 0.145(7) Uani 1 1 d . . .
H8PA H 0.7094 0.5982 0.6607 0.217 Uiso 1 1 calc R . .
H8PB H 0.7175 0.5736 0.6156 0.217 Uiso 1 1 calc R . .
H8PC H 0.7577 0.5627 0.6519 0.217 Uiso 1 1 calc R . .
C9P C 0.6923(4) 0.5179(4) 0.7031(2) 0.081(3) Uani 1 1 d . . .
H9PA H 0.6803 0.5493 0.7162 0.121 Uiso 1 1 calc R . .
H9PB H 0.7268 0.5103 0.7128 0.121 Uiso 1 1 calc R . .
H9PC H 0.6696 0.4898 0.7106 0.121 Uiso 1 1 calc R . .
N1P N 1.0527(3) 0.2580(2) 0.28876(18) 0.0597(16) Uani 1 1 d . . .
N2P N 0.6479(2) 0.4623(2) 0.59717(19) 0.0552(14) Uani 1 1 d . . .
N3P N 0.6927(2) 0.5241(2) 0.65819(18) 0.0511(13) Uani 1 1 d . . .
C1G C 0.9085(14) 0.3766(14) 0.5893(13) 0.135(11) Uani 0.25 1 d PDU . .
H1GA H 0.8901 0.3934 0.5678 0.162 Uiso 0.25 1 calc PR . .
C2G C 0.8846(15) 0.3467(13) 0.6188(12) 0.123(10) Uani 0.25 1 d PDU . .
H2GA H 0.8485 0.3450 0.6170 0.148 Uiso 0.25 1 calc PR . .
C3G C 0.9064(13) 0.3188(10) 0.6509(11) 0.115(8) Uani 0.25 1 d PDU . .
H3GA H 0.8922 0.3320 0.6777 0.138 Uiso 0.25 1 calc PR . .
C4G C 0.9624(9) 0.3233(12) 0.6532(10) 0.090(6) Uani 0.25 1 d PDU . .
C5G C 0.9871(13) 0.3500(14) 0.6215(9) 0.103(8) Uani 0.25 1 d PDU . .
C6G C 0.9607(15) 0.3803(16) 0.5930(12) 0.131(10) Uani 0.25 1 d PDU . .
C7G C 0.983(2) 0.4096(18) 0.5618(15) 0.141(13) Uani 0.25 1 d PDU . .
H7GA H 0.9641 0.4254 0.5404 0.170 Uiso 0.25 1 calc PR . .
C8G C 1.036(2) 0.4140(17) 0.5642(12) 0.140(12) Uani 0.25 1 d PDU . .
H8GA H 1.0537 0.4346 0.5447 0.169 Uiso 0.25 1 calc PR . .
C9G C 1.0627(17) 0.3886(13) 0.5948(12) 0.114(10) Uani 0.25 1 d PDU . .
H9GA H 1.0987 0.3926 0.5958 0.137 Uiso 0.25 1 calc PR . .
C10G C 1.0395(13) 0.3577(13) 0.6239(10) 0.106(8) Uani 0.25 1 d PDU . .
C11G C 1.0681(10) 0.3317(16) 0.6537(12) 0.114(8) Uani 0.25 1 d PDU . .
C12G C 1.1206(13) 0.329(2) 0.6588(16) 0.124(11) Uani 0.25 1 d PDU . .
H12B H 1.1413 0.3469 0.6394 0.149 Uiso 0.25 1 calc PR . .
C13G C 1.145(2) 0.3021(18) 0.6903(15) 0.137(12) Uani 0.25 1 d PDU . .
H13B H 1.1808 0.3058 0.6924 0.165 Uiso 0.25 1 calc PR . .
C14G C 1.1216(17) 0.270(2) 0.7193(15) 0.142(12) Uani 0.25 1 d PDU . .
H14B H 1.1382 0.2475 0.7380 0.171 Uiso 0.25 1 calc PR . .
C15G C 1.0692(18) 0.2774(17) 0.7157(11) 0.127(10) Uani 0.25 1 d PDU . .
C16G C 1.0431(13) 0.3011(15) 0.6835(10) 0.107(8) Uani 0.25 1 d PDU . .
C17G C 0.9902(12) 0.2982(11) 0.6836(9) 0.092(6) Uani 0.25 1 d PDU . .
C18G C 0.9627(16) 0.2641(14) 0.7134(11) 0.113(8) Uani 0.25 1 d PDU . .
H18A H 0.9408 0.2882 0.7295 0.136 Uiso 0.25 1 calc PR . .
C19G C 0.9916(19) 0.240(2) 0.7443(11) 0.128(11) Uani 0.25 1 d PDU . .
H19A H 0.9757 0.2188 0.7642 0.153 Uiso 0.25 1 calc PR . .
C20G C 1.0441(19) 0.2483(18) 0.7454(13) 0.128(11) Uani 0.25 1 d PDU . .
H20A H 1.0633 0.2334 0.7673 0.154 Uiso 0.25 1 calc PR . .
C21G C 0.9236(16) 0.2335(15) 0.6870(11) 0.127(8) Uani 0.25 1 d PDU . .
H21A H 0.8976 0.2175 0.7056 0.152 Uiso 0.25 1 calc PR . .
C22G C 0.8967(15) 0.2614(10) 0.6499(16) 0.130(9) Uani 0.25 1 d PDU . .
H22A H 0.8592 0.2556 0.6523 0.157 Uiso 0.25 1 calc PR . .
C23G C 0.9538(14) 0.1932(13) 0.6653(11) 0.137(11) Uani 0.25 1 d PDU . .
C24G C 0.9153(16) 0.2340(14) 0.6128(11) 0.129(10) Uani 0.25 1 d PDU A .
O1G O 0.9077(15) 0.2381(16) 0.5753(12) 0.149(13) Uani 0.25 1 d PDU . .
O2G O 0.9821(19) 0.1594(17) 0.6773(16) 0.163(15) Uani 0.25 1 d PDU . .
N1G N 0.9486(15) 0.1951(12) 0.6232(10) 0.120(10) Uani 0.25 1 d PGDU . .
C25G C 0.9744(13) 0.1676(13) 0.5890(10) 0.103(17) Uiso 0.13 1 d PGDU A 1
H25A H 1.0108 0.1635 0.5974 0.124 Uiso 0.13 1 calc PR A 1
C26G C 0.953(3) 0.1149(13) 0.5841(16) 0.085(18) Uiso 0.13 1 d PGU . 1
H26A H 0.9159 0.1173 0.5782 0.101 Uiso 0.13 1 calc PR . 1
H26B H 0.9572 0.0959 0.6105 0.101 Uiso 0.13 1 calc PR . 1
C27G C 0.979(3) 0.0861(19) 0.549(2) 0.13(2) Uiso 0.13 1 d PGU A 1
H27A H 0.9610 0.0535 0.5443 0.153 Uiso 0.13 1 calc PR A 1
H27B H 1.0143 0.0782 0.5573 0.153 Uiso 0.13 1 calc PR A 1
C28G C 0.980(3) 0.117(3) 0.5083(15) 0.15(3) Uiso 0.13 1 d PGU A 1
H28A H 1.0001 0.0983 0.4872 0.178 Uiso 0.13 1 calc PR A 1
H28B H 0.9446 0.1201 0.4975 0.178 Uiso 0.13 1 calc PR A 1
C29G C 1.002(3) 0.168(3) 0.5150(14) 0.14(2) Uiso 0.13 1 d PGU A 1
H29A H 0.9996 0.1874 0.4887 0.162 Uiso 0.13 1 calc PR A 1
H29B H 1.0380 0.1644 0.5224 0.162 Uiso 0.13 1 calc PR A 1
C30G C 0.974(3) 0.1980(19) 0.5494(11) 0.15(2) Uiso 0.13 1 d PGU A 1
H30A H 0.9920 0.2308 0.5539 0.178 Uiso 0.13 1 calc PR A 1
H30B H 0.9389 0.2052 0.5408 0.178 Uiso 0.13 1 calc PR A 1
C25X C 0.970(2) 0.158(2) 0.5928(15) 0.104(18) Uiso 0.13 1 d PGDU A 2
H25B H 0.9352 0.1472 0.5833 0.124 Uiso 0.13 1 calc PR A 2
C26X C 0.978(3) 0.191(3) 0.555(2) 0.136(19) Uiso 0.13 1 d PGDU A 2
H26C H 0.9653 0.2262 0.5607 0.163 Uiso 0.13 1 calc PR A 2
H26D H 0.9585 0.1774 0.5313 0.163 Uiso 0.13 1 calc PR A 2
C27X C 1.035(3) 0.193(3) 0.544(3) 0.14(2) Uiso 0.13 1 d PGU A 2
H27C H 1.0394 0.2132 0.5187 0.169 Uiso 0.13 1 calc PR A 2
H27D H 1.0531 0.2106 0.5671 0.169 Uiso 0.13 1 calc PR A 2
C28X C 1.057(2) 0.142(3) 0.538(3) 0.15(3) Uiso 0.13 1 d PGU A 2
H28C H 1.0943 0.1453 0.5335 0.181 Uiso 0.13 1 calc PR A 2
H28D H 1.0419 0.1258 0.5135 0.181 Uiso 0.13 1 calc PR A 2
C29X C 1.048(3) 0.108(3) 0.577(3) 0.13(3) Uiso 0.13 1 d PGU A 2
H29C H 1.0603 0.0733 0.5707 0.160 Uiso 0.13 1 calc PR A 2
H29D H 1.0679 0.1216 0.6004 0.160 Uiso 0.13 1 calc PR A 2
C30X C 0.992(3) 0.106(2) 0.589(2) 0.125(19) Uiso 0.13 1 d PGU A 2
H30C H 0.9730 0.0867 0.5672 0.150 Uiso 0.13 1 calc PR A 2
H30D H 0.9884 0.0876 0.6154 0.150 Uiso 0.13 1 calc PR A 2
N1N N 0.3229(11) -0.0240(12) 0.3010(8) 0.182(13) Uiso 0.50 1 d PD B 1
O1N O 0.2754(5) -0.0152(7) 0.2979(5) 0.080(4) Uiso 0.50 1 d PD B 1
O2N O 0.3349(12) -0.0655(12) 0.3189(10) 0.221(13) Uiso 0.50 1 d PD B 1
O3N O 0.3605(10) 0.0035(10) 0.2883(8) 0.174(9) Uiso 0.50 1 d PD B 1
O1X O 0.7838(12) 0.9549(13) 0.1972(10) 0.182(11) Uiso 0.50 1 d P C 2
O2X O 0.4486(11) 0.0663(11) 0.1077(10) 0.183(10) Uiso 0.50 1 d P D 2
O3X O 0.7867(15) 1.0051(16) 0.2203(13) 0.240(17) Uiso 0.50 1 d P C 2
O4X O 0.8676(7) 1.0505(8) 0.2196(6) 0.119(6) Uiso 0.50 1 d P E 2
O5X O 0.309(2) -0.1330(19) 0.3200(16) 0.154(16) Uiso 0.25 1 d P F 2
N2N N 0.5786(8) 0.1062(6) 0.2575(7) 0.095(5) Uiso 0.50 1 d PD G 1
O4N O 0.5348(10) 0.0998(9) 0.2404(8) 0.148(7) Uiso 0.50 1 d PD G 1
O5N O 0.6121(10) 0.0953(8) 0.2341(7) 0.145(7) Uiso 0.50 1 d PD G 1
O6N O 0.5839(6) 0.1224(6) 0.2938(5) 0.087(4) Uiso 0.50 1 d PD G 1
N3N N 0.5443(10) 0.0634(8) 0.2517(8) 0.131(8) Uiso 0.50 1 d PD H 2
O7N O 0.5535(9) 0.0440(9) 0.2873(7) 0.156(8) Uiso 0.50 1 d PD H 2
O8N O 0.4988(9) 0.0540(9) 0.2402(8) 0.160(8) Uiso 0.50 1 d PD H 2
O9N O 0.5736(8) 0.0889(7) 0.2263(6) 0.116(5) Uiso 0.50 1 d PD H 2
O6X O 0.6128(9) 0.1418(8) 0.2964(7) 0.131(6) Uiso 0.50 1 d P I 3
O7X O 0.6108(17) 0.1730(18) 0.3399(14) 0.148(15) Uiso 0.25 1 d P I 3
O8X O 0.434(2) -0.035(2) 0.3613(18) 0.167(17) Uiso 0.25 1 d P J 3
O9X O 0.4482(6) -0.0700(6) 0.3923(5) 0.085(4) Uiso 0.50 1 d P J 3
O10X O 0.4960(13) 0.0811(13) 0.2032(11) 0.211(12) Uiso 0.50 1 d P K 3
O11X O 0.4763(11) -0.0599(10) 0.3946(8) 0.158(9) Uiso 0.50 1 d P J 3
O12X O 0.5477(17) 0.1134(16) 0.1891(14) 0.262(17) Uiso 0.50 1 d P K 3
O13X O 0.4670(6) 0.0287(6) 0.2777(5) 0.098(4) Uiso 0.50 1 d P J 3
O14X O 0.3638(4) 0.9120(4) 0.9543(3) 0.119(3) Uiso 1 1 d . L 1
O15X O 0.1990(8) -0.1105(8) 0.2560(6) 0.127(6) Uiso 0.50 1 d P F 1
O16X O 0.4238(6) 0.9618(6) 0.9715(4) 0.185(5) Uiso 1 1 d . M 1
O17X O 0.4271(9) 0.8974(9) 0.9365(8) 0.158(8) Uiso 0.50 1 d P L 1
O18X O 0.3857(7) 0.9228(6) 0.9671(5) 0.182(6) Uiso 1 1 d . N 2
O19X O 0.900(2) 1.071(2) 0.2720(17) 0.178(19) Uiso 0.25 1 d P O 1
O20X O 0.8192(7) 1.0808(7) 0.2884(6) 0.229(7) Uiso 1 1 d U P 1
O21X O 0.8435(17) 1.0920(17) 0.2463(15) 0.278(17) Uiso 0.50 1 d PU E 2
O1 O 0.7755(5) 0.1743(5) 0.2836(4) 0.170(4) Uiso 1 1 d . . .
O2 O 0.376(3) 0.193(3) 0.330(2) 0.22(3) Uiso 0.25 1 d P . .
O3 O 0.5000 0.7500 0.6250 0.103(5) Uiso 1 4 d S . .
O4 O 0.5264(3) 0.1258(3) 0.1573(2) 0.0885(19) Uiso 1 1 d . . .
O5 O 0.3209(7) 0.2062(7) 0.2878(6) 0.242(7) Uiso 1 1 d . . .
O6 O 0.5105(7) -0.0060(7) 0.3507(6) 0.223(6) Uiso 1 1 d . J .
O7 O 0.6697(6) 0.1864(7) 0.3062(5) 0.210(6) Uiso 1 1 d . I .
O8 O 0.9522(9) 1.0940(9) 0.1413(7) 0.290(10) Uiso 1 1 d . . .
O9 O 0.4967(8) 0.0739(8) 0.0791(7) 0.271(9) Uiso 1 1 d . . .
O10 O 0.3393(10) 0.2321(10) 0.3480(8) 0.168(9) Uiso 0.50 1 d P . .
O11 O 1.0428(14) 1.1430(14) 0.1436(12) 0.232(14) Uiso 0.50 1 d P . .
O12 O 0.698(2) 0.221(2) 0.2750(16) 0.32(2) Uiso 0.50 1 d P . .
O13 O 0.3867(5) 0.1439(5) 0.3215(4) 0.163(4) Uiso 1 1 d . . .
O14 O 0.436(2) 0.082(2) 0.1542(17) 0.170(18) Uiso 0.25 1 d P . .
O15 O 0.256(3) 0.228(3) 0.288(2) 0.24(3) Uiso 0.25 1 d P . .
O16 O 0.6614(18) 0.1424(18) 0.2728(15) 0.292(19) Uiso 0.50 1 d P . .
O17 O 0.4574(11) -0.0003(11) 0.3169(10) 0.357(14) Uiso 1 1 d . . .
O18 O 0.3598(6) -0.1036(7) 0.3847(5) 0.220(7) Uiso 1 1 d . . .
O19 O 1.0023(6) 1.1642(6) 0.1697(5) 0.191(5) Uiso 1 1 d . . .
O20 O 0.2811(14) -0.1516(13) 0.2978(11) 0.209(12) Uiso 0.50 1 d P . .
O21 O 0.2482(13) -0.1164(13) 0.2851(10) 0.202(11) Uiso 0.50 1 d P F .
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'
N N 0.0061 0.0033 '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'
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
N3L Pd1 N1L 86.2(2) . .
N3L Pd1 N2P 179.0(2) . .
N1L Pd1 N2P 93.8(2) . .
N3L Pd1 N3P 94.0(2) . .
N1L Pd1 N3P 179.7(2) . .
N2P Pd1 N3P 86.0(3) . .
N2L Pd2 N2L 85.1(3) 6_654 .
N2L Pd2 N1P 179.6(2) 6_654 6_654
N2L Pd2 N1P 94.7(3) . 6_654
N2L Pd2 N1P 94.7(3) 6_654 .
N2L Pd2 N1P 179.6(2) . .
N1P Pd2 N1P 85.4(4) 6_654 .
N1L C1L C2L 121.9(6) . .
C1L C2L C3L 119.9(6) . .
C2L C3L C4L 118.5(6) . .
C2L C3L C17L 120.7(6) . .
C4L C3L C17L 120.8(6) . .
C5L C4L C3L 118.7(6) . .
N1L C5L C4L 122.3(6) . .
N2L C6L C7L 122.7(6) . .
C6L C7L C8L 120.0(6) . .
C9L C8L C7L 117.6(6) . .
C9L C8L C16L 120.9(6) . .
C7L C8L C16L 121.5(6) . .
C8L C9L C10L 119.9(6) . .
N2L C10L C9L 122.5(6) . .
C12L C11L C15L 118.9(6) . .
C12L C11L C18L 120.3(6) . .
C15L C11L C18L 120.8(6) . .
C11L C12L C13L 118.5(6) . .
N3L C13L C12L 122.9(6) 12_757 .
N3L C14L C15L 121.7(6) 12_757 .
C14L C15L C11L 119.3(6) . .
N4L C16L N5L 125.3(6) . .
N4L C16L C8L 117.1(5) . .
N5L C16L C8L 117.6(6) . .
N6L C17L N5L 125.8(6) . .
N6L C17L C3L 117.2(5) . .
N5L C17L C3L 117.0(5) . .
N4L C18L N6L 125.4(6) . .
N4L C18L C11L 117.3(5) . .
N6L C18L C11L 117.3(6) . .
C5L N1L C1L 118.8(5) . .
C5L N1L Pd1 120.8(4) . .
C1L N1L Pd1 120.0(4) . .
C10L N2L C6L 117.3(5) . .
C10L N2L Pd2 121.2(4) . .
C6L N2L Pd2 121.2(4) . .
C14L N3L C13L 118.7(5) 15_666 15_666
C14L N3L Pd1 120.6(4) 15_666 .
C13L N3L Pd1 120.5(4) 15_666 .
C16L N4L C18L 114.9(5) . .
C16L N5L C17L 114.3(5) . .
C17L N6L C18L 114.3(5) . .
C1P C1P N1P 108.5(6) 6_654 .
C7P C6P N2P 115.1(9) . .
C6P C7P N3P 119.0(8) . .
C3P N1P C2P 107.7(7) . .
C3P N1P C1P 112.0(7) . .
C2P N1P C1P 108.5(6) . .
C3P N1P Pd2 109.9(4) . .
C2P N1P Pd2 112.6(4) . .
C1P N1P Pd2 106.2(5) . .
C4P N2P C6P 110.9(8) . .
C4P N2P C5P 107.7(8) . .
C6P N2P C5P 108.8(10) . .
C4P N2P Pd1 111.6(5) . .
C6P N2P Pd1 106.3(5) . .
C5P N2P Pd1 111.6(5) . .
C8P N3P C9P 111.8(9) . .
C8P N3P C7P 109.6(10) . .
C9P N3P C7P 107.1(7) . .
C8P N3P Pd1 110.5(5) . .
C9P N3P Pd1 113.6(5) . .
C7P N3P Pd1 103.8(5) . .
C6G C1G C2G 116(3) . .
C6G C1G C28X 68(7) . 6_654
C2G C1G C28X 131(6) . 6_654
C1G C2G C3G 129(3) . .
C2G C3G C4G 114(2) . .
C2G C3G C22G 116(3) . .
C4G C3G C22G 104(3) . .
C24G C4G O1G 79(3) 15_666 15_666
C24G C4G N1G 90(3) 15_666 15_666
O1G C4G N1G 165(4) 15_666 15_666
C24G C4G C17G 105(4) 15_666 .
O1G C4G C17G 56(3) 15_666 .
N1G C4G C17G 120(4) 15_666 .
C24G C4G C5G 16(3) 15_666 .
O1G C4G C5G 87(3) 15_666 .
N1G C4G C5G 84(3) 15_666 .
C17G C4G C5G 120.5(14) . .
C24G C4G C3G 133(4) 15_666 .
O1G C4G C3G 133(3) 15_666 .
N1G C4G C3G 61(2) 15_666 .
C17G C4G C3G 121(3) . .
C5G C4G C3G 118(2) . .
C24G C4G O2G 66(4) 15_666 6_654
O1G C4G O2G 20(2) 15_666 6_654
N1G C4G O2G 145(3) 15_666 6_654
C17G C4G O2G 50.1(19) . 6_654
C5G C4G O2G 78(2) . 6_654
C3G C4G O2G 153(3) . 6_654
C24G C4G C25G 145(5) 15_666 15_666
O1G C4G C25G 131(4) 15_666 15_666
N1G C4G C25G 58(3) 15_666 15_666
C17G C4G C25G 85(4) . 15_666
C5G C4G C25G 142(3) . 15_666
C3G C4G C25G 44(4) . 15_666
O2G C4G C25G 135(4) 6_654 15_666
C24G C4G C25X 144(4) 15_666 15_666
O1G C4G C25X 136(4) 15_666 15_666
N1G C4G C25X 54(2) 15_666 15_666
C17G C4G C25X 94(3) . 15_666
C5G C4G C25X 137(3) . 15_666
C3G C4G C25X 35(3) . 15_666
O2G C4G C25X 143(3) 6_654 15_666
C25G C4G C25X 9(4) 15_666 15_666
C24G C4G C26X 150(7) 15_666 15_666
O1G C4G C26X 93(8) 15_666 15_666
N1G C4G C26X 93(8) 15_666 15_666
C17G C4G C26X 49(6) . 15_666
C5G C4G C26X 165(6) . 15_666
C3G C4G C26X 73(6) . 15_666
O2G C4G C26X 96(7) 6_654 15_666
C25G C4G C26X 39(7) 15_666 15_666
C25X C4G C26X 46(6) 15_666 15_666
C24G C4G C30G 146(5) 15_666 15_666
O1G C4G C30G 85(4) 15_666 15_666
N1G C4G C30G 100(4) 15_666 15_666
C17G C4G C30G 43(3) . 15_666
C5G C4G C30G 163(3) . 15_666
C3G C4G C30G 78(3) . 15_666
O2G C4G C30G 89(4) 6_654 15_666
C25G C4G C30G 47(2) 15_666 15_666
C25X C4G C30G 54(3) 15_666 15_666
C26X C4G C30G 8(7) 15_666 15_666
C24G C5G C22G 135(7) 15_666 15_666
C24G C5G C10G 100(4) 15_666 .
C22G C5G C10G 50(3) 15_666 .
C24G C5G C4G 21(4) 15_666 .
C22G C5G C4G 153(4) 15_666 .
C10G C5G C4G 119.5(14) . .
C24G C5G C6G 143(5) 15_666 .
C22G C5G C6G 79(3) 15_666 .
C10G C5G C6G 116(3) . .
C4G C5G C6G 122(3) . .
C24G C5G C25X 119(6) 15_666 6_654
C22G C5G C25X 16(3) 15_666 6_654
C10G C5G C25X 45(3) . 6_654
C4G C5G C25X 137(3) . 6_654
C6G C5G C25X 93(3) . 6_654
C24G C5G C25G 115(7) 15_666 6_654
C22G C5G C25G 23(3) 15_666 6_654
C10G C5G C25G 55(4) . 6_654
C4G C5G C25G 131(4) . 6_654
C6G C5G C25G 93(5) . 6_654
C25X C5G C25G 11(4) 6_654 6_654
C24G C5G C30X 165(10) 15_666 6_654
C22G C5G C30X 41(10) 15_666 6_654
C10G C5G C30X 67(9) . 6_654
C4G C5G C30X 165(10) . 6_654
C6G C5G C30X 49(9) . 6_654
C25X C5G C30X 57(10) 6_654 6_654
C25G C5G C30X 64(10) 6_654 6_654
C24G C5G N1G 51(4) 15_666 15_666
C22G C5G N1G 126(5) 15_666 15_666
C10G C5G N1G 138(3) . 15_666
C4G C5G N1G 41.1(18) . 15_666
C6G C5G N1G 100(3) . 15_666
C25X C5G N1G 117(4) 6_654 15_666
C25G C5G N1G 106(3) 6_654 15_666
C30X C5G N1G 143(9) 6_654 15_666
C24G C5G O1G 33(4) 15_666 15_666
C22G C5G O1G 137(4) 15_666 15_666
C10G C5G O1G 87(2) . 15_666
C4G C5G O1G 39.1(19) . 15_666
C6G C5G O1G 136(3) . 15_666
C25X C5G O1G 126(3) 6_654 15_666
C25G C5G O1G 129(5) 6_654 15_666
C30X C5G O1G 135(9) 6_654 15_666
N1G C5G O1G 80(2) 15_666 15_666
C24G C5G C21G 122(6) 15_666 15_666
C22G C5G C21G 51(3) 15_666 15_666
C10G C5G C21G 98(3) . 15_666
C4G C5G C21G 121(3) . 15_666
C6G C5G C21G 62(2) . 15_666
C25X C5G C21G 53(3) 6_654 15_666
C25G C5G C21G 44(4) 6_654 15_666
C30X C5G C21G 68(8) 6_654 15_666
N1G C5G C21G 80(2) 15_666 15_666
O1G C5G C21G 155(3) 15_666 15_666
C24G C5G C29X 146(10) 15_666 6_654
C22G C5G C29X 75(10) 15_666 6_654
C10G C5G C29X 114(9) . 6_654
C4G C5G C29X 125(10) . 6_654
C6G C5G C29X 4(9) . 6_654
C25X C5G C29X 89(10) 6_654 6_654
C25G C5G C29X 89(10) 6_654 6_654
C30X C5G C29X 47(6) 6_654 6_654
N1G C5G C29X 101(8) 15_666 6_654
O1G C5G C29X 141(9) 15_666 6_654
C21G C5G C29X 58(6) 15_666 6_654
C29X C6G C12G 74(10) 6_654 12_757
C29X C6G C13G 11(10) 6_654 12_757
C12G C6G C13G 76(3) 12_757 12_757
C29X C6G C30X 97(10) 6_654 6_654
C12G C6G C30X 170(10) 12_757 6_654
C13G C6G C30X 95(10) 12_757 6_654
C29X C6G C1G 67(10) 6_654 .
C12G C6G C1G 10(3) 12_757 .
C13G C6G C1G 70(4) 12_757 .
C30X C6G C1G 164(9) 6_654 .
C29X C6G C7G 47(10) 6_654 .
C12G C6G C7G 120(4) 12_757 .
C13G C6G C7G 45(4) 12_757 .
C30X C6G C7G 50(10) 6_654 .
C1G C6G C7G 114(4) . .
C29X C6G C5G 166(10) 6_654 .
C12G C6G C5G 112(4) 12_757 .
C13G C6G C5G 156(5) 12_757 .
C30X C6G C5G 76(9) 6_654 .
C1G C6G C5G 121(2) . .
C7G C6G C5G 125(4) . .
C29X C6G C22G 130(10) 6_654 15_666
C12G C6G C22G 138(4) 12_757 15_666
C13G C6G C22G 122(5) 12_757 15_666
C30X C6G C22G 47(5) 6_654 15_666
C1G C6G C22G 148(3) . 15_666
C7G C6G C22G 89(4) . 15_666
C5G C6G C22G 37(2) . 15_666
C29X C6G C21G 93(10) 6_654 15_666
C12G C6G C21G 96(4) 12_757 15_666
C13G C6G C21G 82(4) 12_757 15_666
C30X C6G C21G 81(10) 6_654 15_666
C1G C6G C21G 103(3) . 15_666
C7G C6G C21G 85(3) . 15_666
C5G C6G C21G 75(3) . 15_666
C22G C6G C21G 55(2) 15_666 15_666
C29X C6G C28X 46(10) 6_654 6_654
C12G C6G C28X 69(9) 12_757 6_654
C13G C6G C28X 37(5) 12_757 6_654
C30X C6G C28X 103(10) 6_654 6_654
C1G C6G C28X 70(8) . 6_654
C7G C6G C28X 67(9) . 6_654
C5G C6G C28X 123(4) . 6_654
C22G C6G C28X 102(6) 15_666 6_654
C21G C6G C28X 50(4) 15_666 6_654
C29X C6G C24G 170(10) 6_654 15_666
C12G C6G C24G 101(3) 12_757 15_666
C13G C6G C24G 160(5) 12_757 15_666
C30X C6G C24G 87(9) 6_654 15_666
C1G C6G C24G 109(3) . 15_666
C7G C6G C24G 136(4) . 15_666
C5G C6G C24G 11.6(18) . 15_666
C22G C6G C24G 48.3(16) 15_666 15_666
C21G C6G C24G 78.7(19) 15_666 15_666
C28X C6G C24G 124(5) 6_654 15_666
C29X C6G C11G 103(10) 6_654 12_757
C12G C6G C11G 42(3) 12_757 12_757
C13G C6G C11G 99(4) 12_757 12_757
C30X C6G C11G 140(6) 6_654 12_757
C1G C6G C11G 52(2) . 12_757
C7G C6G C11G 137(4) . 12_757
C5G C6G C11G 77(3) . 12_757
C22G C6G C11G 96(3) 15_666 12_757
C21G C6G C11G 64(2) 15_666 12_757
C28X C6G C11G 70(8) 6_654 12_757
C24G C6G C11G 68.4(19) 15_666 12_757
C29X C7G C30X 87(10) 6_654 6_654
C29X C7G C8G 142(10) 6_654 .
C30X C7G C8G 55(10) 6_654 .
C29X C7G C6G 26(10) 6_654 .
C30X C7G C6G 60(10) 6_654 .
C8G C7G C6G 115(5) . .
C29X C7G C28X 55(9) 6_654 6_654
C30X C7G C28X 111(8) 6_654 6_654
C8G C7G C28X 130(7) . 6_654
C6G C7G C28X 69(10) . 6_654
C29X C7G C26G 111(10) 6_654 6_654
C30X C7G C26G 28(10) 6_654 6_654
C8G C7G C26G 31(5) . 6_654
C6G C7G C26G 85(7) . 6_654
C28X C7G C26G 114(5) 6_654 6_654
C9G C8G C7G 120(4) . .
C8G C9G C10G 123(3) . .
C22G C10G C25X 33(3) 15_666 6_654
C22G C10G C3G 86(3) 15_666 15_666
C25X C10G C3G 54(4) 6_654 15_666
C22G C10G C25G 34(9) 15_666 6_654
C25X C10G C25G 8(6) 6_654 6_654
C3G C10G C25G 57(9) 15_666 6_654
C22G C10G C9G 83(3) 15_666 .
C25X C10G C9G 73(4) 6_654 .
C3G C10G C9G 55(3) 15_666 .
C25G C10G C9G 81(6) 6_654 .
C22G C10G C5G 43(3) 15_666 .
C25X C10G C5G 71(4) 6_654 .
C3G C10G C5G 125(4) 15_666 .
C25G C10G C5G 67(9) 6_654 .
C9G C10G C5G 119(3) . .
C22G C10G C11G 144(4) 15_666 .
C25X C10G C11G 123(4) 6_654 .
C3G C10G C11G 88(3) 15_666 .
C25G C10G C11G 118(6) 6_654 .
C9G C10G C11G 121(3) . .
C5G C10G C11G 119.9(16) . .
C22G C10G N1G 92(4) 15_666 6_654
C25X C10G N1G 70(3) 6_654 6_654
C3G C10G N1G 62(3) 15_666 6_654
C25G C10G N1G 64(5) 6_654 6_654
C9G C10G N1G 118(3) . 6_654
C5G C10G N1G 94(3) . 6_654
C11G C10G N1G 54(2) . 6_654
C22G C10G C26G 62(6) 15_666 6_654
C25X C10G C26G 56(4) 6_654 6_654
C3G C10G C26G 58(10) 15_666 6_654
C25G C10G C26G 64(6) 6_654 6_654
C9G C10G C26G 21(6) . 6_654
C5G C10G C26G 99(9) . 6_654
C11G C10G C26G 139(10) . 6_654
N1G C10G C26G 115(9) 6_654 6_654
C22G C10G C2G 143(3) 15_666 15_666
C25X C10G C2G 114(4) 6_654 15_666
C3G C10G C2G 60(2) 15_666 15_666
C25G C10G C2G 117(9) 6_654 15_666
C9G C10G C2G 66(3) . 15_666
C5G C10G C2G 174(3) . 15_666
C11G C10G C2G 56(3) . 15_666
N1G C10G C2G 85(3) 6_654 15_666
C26G C10G C2G 86(9) 6_654 15_666
C22G C10G C24G 62(2) 15_666 15_666
C25X C10G C24G 84(5) 6_654 15_666
C3G C10G C24G 130(4) 15_666 15_666
C25G C10G C24G 78(8) 6_654 15_666
C9G C10G C24G 142(3) . 15_666
C5G C10G C24G 23.0(17) . 15_666
C11G C10G C24G 97(2) . 15_666
N1G C10G C24G 81(3) 6_654 15_666
C26G C10G C24G 122(9) 6_654 15_666
C2G C10G C24G 152(3) 15_666 15_666
C22G C10G C30X 41(6) 15_666 6_654
C25X C10G C30X 61(7) 6_654 6_654
C3G C10G C30X 92(10) 15_666 6_654
C25G C10G C30X 66(9) 6_654 6_654
C9G C10G C30X 55(10) . 6_654
C5G C10G C30X 64(10) . 6_654
C11G C10G C30X 175(6) . 6_654
N1G C10G C30X 130(7) 6_654 6_654
C26G C10G C30X 38(10) 6_654 6_654
C2G C10G C30X 120(10) 15_666 6_654
C24G C10G C30X 87(10) 15_666 6_654
C23G C11G N1G 73(3) 6_654 6_654
C23G C11G C2G 171(5) 6_654 15_666
N1G C11G C2G 98(3) 6_654 15_666
C23G C11G C12G 121(5) 6_654 .
N1G C11G C12G 114(4) 6_654 .
C2G C11G C12G 63(3) 15_666 .
C23G C11G C10G 106(3) 6_654 .
N1G C11G C10G 64(2) 6_654 .
C2G C11G C10G 67(3) 15_666 .
C12G C11G C10G 130(4) . .
C23G C11G C16G 20(3) 6_654 .
N1G C11G C16G 93(3) 6_654 .
C2G C11G C16G 169(4) 15_666 .
C12G C11G C16G 111(4) . .
C10G C11G C16G 119.6(15) . .
C23G C11G O2G 53(3) 6_654 6_654
N1G C11G O2G 100(3) 6_654 6_654
C2G C11G O2G 129(4) 15_666 6_654
C12G C11G O2G 143(4) . 6_654
C10G C11G O2G 79(2) . 6_654
C16G C11G O2G 50(2) . 6_654
C23G C11G C1G 131(4) 6_654 15_666
N1G C11G C1G 122(3) 6_654 15_666
C2G C11G C1G 55.5(16) 15_666 15_666
C12G C11G C1G 12(2) . 15_666
C10G C11G C1G 123(3) . 15_666
C16G C11G C1G 117(3) . 15_666
O2G C11G C1G 138(4) 6_654 15_666
C23G C11G C3G 121(4) 6_654 15_666
N1G C11G C3G 49(2) 6_654 15_666
C2G C11G C3G 50.2(16) 15_666 15_666
C12G C11G C3G 96(3) . 15_666
C10G C11G C3G 40.8(19) . 15_666
C16G C11G C3G 141(3) . 15_666
O2G C11G C3G 118(3) 6_654 15_666
C1G C11G C3G 96(2) 15_666 15_666
C23G C11G C6G 95(3) 6_654 15_666
N1G C11G C6G 91(3) 6_654 15_666
C2G C11G C6G 86(3) 15_666 15_666
C12G C11G C6G 31(3) . 15_666
C10G C11G C6G 139(3) . 15_666
C16G C11G C6G 92(2) . 15_666
O2G C11G C6G 140(3) 6_654 15_666
C1G C11G C6G 43.9(12) 15_666 15_666
C3G C11G C6G 98(2) 15_666 15_666
C23G C11G C21G 44(2) 6_654 6_654
N1G C11G C21G 89(3) 6_654 6_654
C2G C11G C21G 140(3) 15_666 6_654
C12G C11G C21G 78(3) . 6_654
C10G C11G C21G 146(3) . 6_654
C16G C11G C21G 38(2) . 6_654
O2G C11G C21G 88(3) 6_654 6_654
C1G C11G C21G 88(2) 15_666 6_654
C3G C11G C21G 132(3) 15_666 6_654
C6G C11G C21G 53.8(19) 15_666 6_654
C11G C12G C13G 124(5) . .
C11G C12G C28X 87(8) . 12_757
C13G C12G C28X 41(8) . 12_757
C29X C13G C28X 117(10) 12_757 12_757
C29X C13G C12G 47(10) 12_757 .
C28X C13G C12G 89(6) 12_757 .
C29X C13G C14G 118(10) 12_757 .
C28X C13G C14G 48(10) 12_757 .
C12G C13G C14G 126(6) . .
C29X C13G C30X 49(10) 12_757 12_757
C28X C13G C30X 112(10) 12_757 12_757
C12G C13G C30X 94(4) . 12_757
C14G C13G C30X 79(8) . 12_757
C29X C13G C27G 91(10) 12_757 12_757
C28X C13G C27G 102(10) 12_757 12_757
C12G C13G C27G 136(5) . 12_757
C14G C13G C27G 55(9) . 12_757
C30X C13G C27G 43(6) 12_757 12_757
C29X C13G C21G 75(10) 12_757 6_654
C28X C13G C21G 50(10) 12_757 6_654
C12G C13G C21G 78(4) . 6_654
C14G C13G C21G 51(3) . 6_654
C30X C13G C21G 64(9) 12_757 6_654
C27G C13G C21G 78(8) 12_757 6_654
C15G C14G C13G 107(5) . .
C27X C15G C29G 155(10) 12_757 12_757
C27X C15G C21G 68(10) 12_757 6_654
C29G C15G C21G 109(10) 12_757 6_654
C27X C15G C28X 102(10) 12_757 12_757
C29G C15G C28X 102(10) 12_757 12_757
C21G C15G C28X 86(10) 6_654 12_757
C27X C15G C18G 83(10) 12_757 6_654
C29G C15G C18G 72(10) 12_757 6_654
C21G C15G C18G 81(3) 6_654 6_654
C28X C15G C18G 163(10) 12_757 6_654
C27X C15G C20G 111(10) 12_757 .
C29G C15G C20G 49(10) 12_757 .
C21G C15G C20G 125(5) 6_654 .
C28X C15G C20G 141(9) 12_757 .
C18G C15G C20G 47(3) 6_654 .
C27X C15G C16G 11(10) 12_757 .
C29G C15G C16G 162(9) 12_757 .
C21G C15G C16G 62(3) 6_654 .
C28X C15G C16G 92(5) 12_757 .
C18G C15G C16G 91(3) 6_654 .
C20G C15G C16G 122(4) . .
C27X C15G C14G 138(10) 12_757 .
C29G C15G C14G 61(10) 12_757 .
C21G C15G C14G 81(4) 6_654 .
C28X C15G C14G 47(9) 12_757 .
C18G C15G C14G 120(4) 6_654 .
C20G C15G C14G 110(4) . .
C16G C15G C14G 128(4) . .
C27X C15G C26X 85(10) 12_757 12_757
C29G C15G C26X 75(9) 12_757 12_757
C21G C15G C26X 50(8) 6_654 12_757
C28X C15G C26X 129(10) 12_757 12_757
C18G C15G C26X 34(10) 6_654 12_757
C20G C15G C26X 75(8) . 12_757
C16G C15G C26X 88(3) . 12_757
C14G C15G C26X 96(9) . 12_757
C27X C15G C30G 87(10) 12_757 12_757
C29G C15G C30G 71(8) 12_757 12_757
C21G C15G C30G 60(6) 6_654 12_757
C28X C15G C30G 138(10) 12_757 12_757
C18G C15G C30G 25(7) 6_654 12_757
C20G C15G C30G 65(6) . 12_757
C16G C15G C30G 91(3) . 12_757
C14G C15G C30G 101(7) . 12_757
C26X C15G C30G 10(10) 12_757 12_757
C27X C15G C23G 22(10) 12_757 6_654
C29G C15G C23G 159(10) 12_757 6_654
C21G C15G C23G 52(2) 6_654 6_654
C28X C15G C23G 85(6) 12_757 6_654
C18G C15G C23G 95(3) 6_654 6_654
C20G C15G C23G 131(4) . 6_654
C16G C15G C23G 12.0(19) . 6_654
C14G C15G C23G 116(4) . 6_654
C26X C15G C23G 85(3) 12_757 6_654
C30G C15G C23G 90(2) 12_757 6_654
C27X C15G C19G 82(10) 12_757 6_654
C29G C15G C19G 79(10) 12_757 6_654
C21G C15G C19G 123(5) 6_654 6_654
C28X C15G C19G 149(10) 12_757 6_654
C18G C15G C19G 47(3) 6_654 6_654
C20G C15G C19G 30(3) . 6_654
C16G C15G C19G 93(3) . 6_654
C14G C15G C19G 139(3) . 6_654
C26X C15G C19G 81(10) 12_757 6_654
C30G C15G C19G 72(7) 12_757 6_654
C23G C15G C19G 104(3) 6_654 6_654
C23G C16G C27X 145(10) 6_654 12_757
C23G C16G O2G 73(4) 6_654 6_654
C27X C16G O2G 137(10) 12_757 6_654
C23G C16G C21G 100(6) 6_654 6_654
C27X C16G C21G 46(10) 12_757 6_654
O2G C16G C21G 168(5) 6_654 6_654
C23G C16G C15G 140(6) 6_654 .
C27X C16G C15G 6(10) 12_757 .
O2G C16G C15G 139(5) 6_654 .
C21G C16G C15G 43(2) 6_654 .
C23G C16G C17G 99(5) 6_654 .
C27X C16G C17G 112(10) 12_757 .
O2G C16G C17G 61(3) 6_654 .
C21G C16G C17G 130(4) 6_654 .
C15G C16G C17G 118(3) . .
C23G C16G C11G 32(5) 6_654 .
C27X C16G C11G 128(10) 12_757 .
O2G C16G C11G 70(3) 6_654 .
C21G C16G C11G 99(3) 6_654 .
C15G C16G C11G 122(3) . .
C17G C16G C11G 119.9(15) . .
C23G C16G O1G 79(4) 6_654 15_666
C27X C16G O1G 136(10) 12_757 15_666
O2G C16G O1G 20(3) 6_654 15_666
C21G C16G O1G 170(4) 6_654 15_666
C15G C16G O1G 140(3) . 15_666
C17G C16G O1G 40.8(19) . 15_666
C11G C16G O1G 86(2) . 15_666
C23G C16G C28X 108(10) 6_654 12_757
C27X C16G C28X 47(10) 12_757 12_757
O2G C16G C28X 118(10) 6_654 12_757
C21G C16G C28X 54(9) 6_654 12_757
C15G C16G C28X 42(9) . 12_757
C17G C16G C28X 152(10) . 12_757
C11G C16G C28X 82(10) . 12_757
O1G C16G C28X 136(9) 15_666 12_757
C23G C16G N1G 11(5) 6_654 6_654
C27X C16G N1G 139(10) 12_757 6_654
O2G C16G N1G 82(3) 6_654 6_654
C21G C16G N1G 93(3) 6_654 6_654
C15G C16G N1G 135(3) . 6_654
C17G C16G N1G 97(2) . 6_654
C11G C16G N1G 41(2) . 6_654
O1G C16G N1G 84.6(18) 15_666 6_654
C28X C16G N1G 111(10) 12_757 6_654
C23G C16G C18G 134(6) 6_654 6_654
C27X C16G C18G 40(10) 12_757 6_654
O2G C16G C18G 139(4) 6_654 6_654
C21G C16G C18G 52.0(18) 6_654 6_654
C15G C16G C18G 44(2) . 6_654
C17G C16G C18G 83(2) . 6_654
C11G C16G C18G 150(3) . 6_654
O1G C16G C18G 122(3) 15_666 6_654
C28X C16G C18G 85(9) 12_757 6_654
N1G C16G C18G 122(3) 6_654 6_654
C23G C16G C26X 113(8) 6_654 12_757
C27X C16G C26X 47(10) 12_757 12_757
O2G C16G C26X 160(8) 6_654 12_757
C21G C16G C26X 32(7) 6_654 12_757
C15G C16G C26X 48(5) . 12_757
C17G C16G C26X 99(7) . 12_757
C11G C16G C26X 125(7) . 12_757
O1G C16G C26X 139(7) 15_666 12_757
C28X C16G C26X 79(5) 12_757 12_757
N1G C16G C26X 102(5) 6_654 12_757
C18G C16G C26X 25(7) 6_654 12_757
O1G C17G O2G 36(3) 15_666 6_654
O1G C17G C30G 119(5) 15_666 15_666
O2G C17G C30G 149(5) 6_654 15_666
O1G C17G C4G 49(2) 15_666 .
O2G C17G C4G 78(3) 6_654 .
C30G C17G C4G 93(5) 15_666 .
O1G C17G C16G 89(3) 15_666 .
O2G C17G C16G 54(2) 6_654 .
C30G C17G C16G 146(5) 15_666 .
C4G C17G C16G 119.8(15) . .
O1G C17G C18G 135(3) 15_666 .
O2G C17G C18G 148(4) 6_654 .
C30G C17G C18G 25(5) 15_666 .
C4G C17G C18G 119(3) . .
C16G C17G C18G 121(3) . .
O1G C17G C26X 118(9) 15_666 15_666
O2G C17G C26X 151(10) 6_654 15_666
C30G C17G C26X 10(8) 15_666 15_666
C4G C17G C26X 86(8) . 15_666
C16G C17G C26X 152(9) . 15_666
C18G C17G C26X 33(8) . 15_666
O1G C17G C23G 79(2) 15_666 6_654
O2G C17G C23G 48.0(18) 6_654 6_654
C30G C17G C23G 162(5) 15_666 6_654
C4G C17G C23G 99.1(17) . 6_654
C16G C17G C23G 22.0(17) . 6_654
C18G C17G C23G 140(3) . 6_654
C26X C17G C23G 160(10) 15_666 6_654
O1G C17G C24G 43.4(19) 15_666 15_666
O2G C17G C24G 58(3) 6_654 15_666
C30G C17G C24G 120(5) 15_666 15_666
C4G C17G C24G 26.5(15) . 15_666
C16G C17G C24G 93.4(18) . 15_666
C18G C17G C24G 144(3) . 15_666
C26X C17G C24G 112(8) 15_666 15_666
C23G C17G C24G 72.6(19) 6_654 15_666
O1G C17G C27X 108(9) 15_666 12_757
O2G C17G C27X 73(9) 6_654 12_757
C30G C17G C27X 121(10) 15_666 12_757
C4G C17G C27X 146(9) . 12_757
C16G C17G C27X 26(8) . 12_757
C18G C17G C27X 95(9) . 12_757
C26X C17G C27X 127(10) 15_666 12_757
C23G C17G C27X 47(8) 6_654 12_757
C24G C17G C27X 119(8) 15_666 12_757
C19G C18G C17G 117(4) . .
C19G C18G C21G 121(4) . .
C17G C18G C21G 106(3) . .
C19G C18G C16G 90(3) . 6_654
C17G C18G C16G 104(3) . 6_654
C21G C18G C16G 40(2) . 6_654
C20G C19G C18G 119(5) . .
C20G C19G C27X 137(5) . 15_666
C18G C19G C27X 48(6) . 15_666
C20G C19G C29G 163(5) . 15_666
C18G C19G C29G 46(3) . 15_666
C27X C19G C29G 44(6) 15_666 15_666
C20G C19G C30G 120(4) . 15_666
C18G C19G C30G 2(2) . 15_666
C27X C19G C30G 48(7) 15_666 15_666
C29G C19G C30G 45(2) 15_666 15_666
C15G C20G C19G 122(5) . .
C23G C21G C18G 106(3) . .
C23G C21G C22G 102.4(18) . .
C18G C21G C22G 118(3) . .
C24G C22G C3G 116(3) . .
C24G C22G C21G 103.7(18) . .
C3G C22G C21G 112(3) . .
C24G C22G C29X 95(7) . 15_666
C3G C22G C29X 147(7) . 15_666
C21G C22G C29X 65(5) . 15_666
C16G C23G C11G 129(7) 6_654 6_654
C16G C23G O2G 78(5) 6_654 .
C11G C23G O2G 89(4) 6_654 .
C16G C23G N1G 164(7) 6_654 .
C11G C23G N1G 65(3) 6_654 .
O2G C23G N1G 114(4) . .
C16G C23G C27X 21(9) 6_654 15_666
C11G C23G C27X 121(8) 6_654 15_666
O2G C23G C27X 97(9) . 15_666
N1G C23G C27X 149(8) . 15_666
C16G C23G C21G 57(5) 6_654 .
C11G C23G C21G 111(3) 6_654 .
O2G C23G C21G 134(4) . .
N1G C23G C21G 113(2) . .
C27X C23G C21G 36(8) 15_666 .
C16G C23G C17G 59(4) 6_654 6_654
C11G C23G C17G 143(4) 6_654 6_654
O2G C23G C17G 55(2) . 6_654
N1G C23G C17G 117(3) . 6_654
C27X C23G C17G 78(8) 15_666 6_654
C21G C23G C17G 102(3) . 6_654
C16G C23G O1G 82(5) 6_654 12_757
C11G C23G O1G 103(4) 6_654 12_757
O2G C23G O1G 20(3) . 12_757
N1G C23G O1G 106(3) . 12_757
C27X C23G O1G 103(9) 15_666 12_757
C21G C23G O1G 137(3) . 12_757
C17G C23G O1G 40.4(18) 6_654 12_757
C16G C23G C10G 147(6) 6_654 6_654
C11G C23G C10G 45(2) 6_654 6_654
O2G C23G C10G 70(3) . 6_654
N1G C23G C10G 48.5(19) . 6_654
C27X C23G C10G 158(8) 15_666 6_654
C21G C23G C10G 151(2) . 6_654
C17G C23G C10G 106(2) 6_654 6_654
O1G C23G C10G 71(2) 12_757 6_654
C16G C23G C15G 28(4) 6_654 6_654
C11G C23G C15G 115(4) 6_654 6_654
O2G C23G C15G 103(3) . 6_654
N1G C23G C15G 143(3) . 6_654
C27X C23G C15G 7(8) 15_666 6_654
C21G C23G C15G 31(2) . 6_654
C17G C23G C15G 86(2) 6_654 6_654
O1G C23G C15G 110(3) 12_757 6_654
C10G C23G C15G 157(3) 6_654 6_654
C16G C23G C24G 115(5) 6_654 12_757
C11G C23G C24G 94(3) 6_654 12_757
O2G C23G C24G 52(3) . 12_757
N1G C23G C24G 69(2) . 12_757
C27X C23G C24G 135(8) 15_666 12_757
C21G C23G C24G 154(2) . 12_757
C17G C23G C24G 57.9(18) 6_654 12_757
O1G C23G C24G 37.1(13) 12_757 12_757
C10G C23G C24G 49.5(16) 6_654 12_757
C15G C23G C24G 143(3) 6_654 12_757
C5G C24G C4G 143(7) 12_757 12_757
C5G C24G O1G 131(7) 12_757 .
C4G C24G O1G 60(3) 12_757 .
C5G C24G N1G 107(5) 12_757 .
C4G C24G N1G 54(3) 12_757 .
O1G C24G N1G 114(4) . .
C5G C24G C22G 27(4) 12_757 .
C4G C24G C22G 164(4) 12_757 .
O1G C24G C22G 134(4) . .
N1G C24G C22G 112(2) . .
C5G C24G O2G 120(6) 12_757 15_666
C4G C24G O2G 85(4) 12_757 15_666
O1G C24G O2G 29(2) . 15_666
N1G C24G O2G 133(4) . 15_666
C22G C24G O2G 111(3) . 15_666
C5G C24G C10G 57(4) 12_757 12_757
C4G C24G C10G 156(4) 12_757 12_757
O1G C24G C10G 97(3) . 12_757
N1G C24G C10G 146(3) . 12_757
C22G C24G C10G 40(2) . 12_757
O2G C24G C10G 71(3) 15_666 12_757
C5G C24G C17G 166(6) 12_757 12_757
C4G C24G C17G 49(3) 12_757 12_757
O1G C24G C17G 42(2) . 12_757
N1G C24G C17G 86(3) . 12_757
C22G C24G C17G 144(3) . 12_757
O2G C24G C17G 47(2) 15_666 12_757
C10G C24G C17G 110(3) 12_757 12_757
C5G C24G C25X 43(5) 12_757 15_666
C4G C24G C25X 163(5) 12_757 15_666
O1G C24G C25X 132(4) . 15_666
N1G C24G C25X 111(3) . 15_666
C22G C24G C25X 17(2) . 15_666
O2G C24G C25X 104(3) 15_666 15_666
C10G C24G C25X 36(2) 12_757 15_666
C17G C24G C25X 129(3) 12_757 15_666
C5G C24G C25G 47(5) 12_757 15_666
C4G C24G C25G 154(5) 12_757 15_666
O1G C24G C25G 139(4) . 15_666
N1G C24G C25G 102(4) . 15_666
C22G C24G C25G 22(2) . 15_666
O2G C24G C25G 110(4) 15_666 15_666
C10G C24G C25G 44(3) 12_757 15_666
C17G C24G C25G 128(3) 12_757 15_666
C25X C24G C25G 9(3) 15_666 15_666
C5G C24G C6G 26(4) 12_757 12_757
C4G C24G C6G 118(4) 12_757 12_757
O1G C24G C6G 130(3) . 12_757
N1G C24G C6G 89(3) . 12_757
C22G C24G C6G 50.5(17) . 12_757
O2G C24G C6G 135(3) 15_666 12_757
C10G C24G C6G 82(2) 12_757 12_757
C17G C24G C6G 165(3) 12_757 12_757
C25X C24G C6G 66(2) 15_666 12_757
C25G C24G C6G 67(2) 15_666 12_757
C5G C24G C23G 118(5) 12_757 15_666
C4G C24G C23G 98(4) 12_757 15_666
O1G C24G C23G 63(2) . 15_666
N1G C24G C23G 118(3) . 15_666
C22G C24G C23G 95(3) . 15_666
O2G C24G C23G 37.4(15) 15_666 15_666
C10G C24G C23G 62(2) 12_757 15_666
C17G C24G C23G 49.5(18) 12_757 15_666
C25X C24G C23G 81.3(18) 15_666 15_666
C25G C24G C23G 83(2) 15_666 15_666
C6G C24G C23G 144(3) 12_757 15_666
O2G O1G C4G 131(5) 15_666 12_757
O2G O1G C17G 83(5) 15_666 12_757
C4G O1G C17G 75(3) 12_757 12_757
O2G O1G C24G 100(5) 15_666 .
C4G O1G C24G 41(2) 12_757 .
C17G O1G C24G 95(3) 12_757 .
O2G O1G C5G 97(5) 15_666 12_757
C4G O1G C5G 54(2) 12_757 12_757
C17G O1G C5G 111(3) 12_757 12_757
C24G O1G C5G 17(2) . 12_757
O2G O1G C23G 32(4) 15_666 15_666
C4G O1G C23G 100(3) 12_757 15_666
C17G O1G C23G 60(2) 12_757 15_666
C24G O1G C23G 80(3) . 15_666
C5G O1G C23G 85(2) 12_757 15_666
O2G O1G C16G 33(5) 15_666 12_757
C4G O1G C16G 109(3) 12_757 12_757
C17G O1G C16G 49.7(19) 12_757 12_757
C24G O1G C16G 97(3) . 12_757
C5G O1G C16G 104(2) 12_757 12_757
C23G O1G C16G 19.2(15) 15_666 12_757
O1G O2G C23G 128(6) 12_757 .
O1G O2G C16G 126(7) 12_757 6_654
C23G O2G C16G 28(2) . 6_654
O1G O2G C17G 62(5) 12_757 6_654
C23G O2G C17G 77(3) . 6_654
C16G O2G C17G 65(3) 6_654 6_654
O1G O2G C11G 144(7) 12_757 6_654
C23G O2G C11G 38(2) . 6_654
C16G O2G C11G 60(2) 6_654 6_654
C17G O2G C11G 114(3) 6_654 6_654
O1G O2G C24G 50(4) 12_757 12_757
C23G O2G C24G 91(4) . 12_757
C16G O2G C24G 111(4) 6_654 12_757
C17G O2G C24G 75(3) 6_654 12_757
C11G O2G C24G 94(3) 6_654 12_757
O1G O2G C4G 29(4) 12_757 6_654
C23G O2G C4G 101(3) . 6_654
C16G O2G C4G 108(4) 6_654 6_654
C17G O2G C4G 52(2) 6_654 6_654
C11G O2G C4G 118(3) 6_654 6_654
C24G O2G C4G 28.6(18) 12_757 6_654
O1G O2G C10G 101(6) 12_757 6_654
C23G O2G C10G 73(3) . 6_654
C16G O2G C10G 101(3) 6_654 6_654
C17G O2G C10G 120(4) 6_654 6_654
C11G O2G C10G 47.3(16) 6_654 6_654
C24G O2G C10G 56(2) 12_757 6_654
C4G O2G C10G 85(2) 6_654 6_654
C4G N1G C11G 129(4) 12_757 6_654
C4G N1G C3G 72(2) 12_757 12_757
C11G N1G C3G 85(3) 6_654 12_757
C4G N1G C23G 145(3) 12_757 .
C11G N1G C23G 42(2) 6_654 .
C3G N1G C23G 125(4) 12_757 .
C4G N1G C24G 36(2) 12_757 .
C11G N1G C24G 112(3) 6_654 .
C3G N1G C24G 102(3) 12_757 .
C23G N1G C24G 109.2(18) . .
C4G N1G C10G 121(3) 12_757 6_654
C11G N1G C10G 62(2) 6_654 6_654
C3G N1G C10G 49.6(17) 12_757 6_654
C23G N1G C10G 86(3) . 6_654
C24G N1G C10G 149(4) . 6_654
C4G N1G C25X 87(3) 12_757 .
C11G N1G C25X 106(3) 6_654 .
C3G N1G C25X 42(3) 12_757 .
C23G N1G C25X 127(2) . .
C24G N1G C25X 124(2) . .
C10G N1G C25X 45(3) 6_654 .
C4G N1G C25G 83(2) 12_757 .
C11G N1G C25G 117(3) 6_654 .
C3G N1G C25G 50.5(19) 12_757 .
C23G N1G C25G 132(2) . .
C24G N1G C25G 118(2) . .
C10G N1G C25G 56(2) 6_654 .
C25X N1G C25G 12(3) . .
C4G N1G C5G 55(2) 12_757 12_757
C11G N1G C5G 91(2) 6_654 12_757
C3G N1G C5G 107(3) 12_757 12_757
C23G N1G C5G 90(2) . 12_757
C24G N1G C5G 21.4(17) . 12_757
C10G N1G C5G 143(3) 6_654 12_757
C25X N1G C5G 140(3) . 12_757
C25G N1G C5G 137(2) . 12_757
C4G N1G C22G 106(3) 12_757 12_757
C11G N1G C22G 97(3) 6_654 12_757
C3G N1G C22G 55.5(17) 12_757 12_757
C23G N1G C22G 109(2) . 12_757
C24G N1G C22G 142(2) . 12_757
C10G N1G C22G 36(2) 6_654 12_757
C25X N1G C22G 19(2) . 12_757
C25G N1G C22G 24(2) . 12_757
C5G N1G C22G 159(3) 12_757 12_757
C4G N1G C16G 142(3) 12_757 6_654
C11G N1G C16G 46.2(18) 6_654 6_654
C3G N1G C16G 130(3) 12_757 6_654
C23G N1G C16G 5(2) . 6_654
C24G N1G C16G 105.8(18) . 6_654
C10G N1G C16G 91(2) 6_654 6_654
C25X N1G C16G 130(3) . 6_654
C25G N1G C16G 135(2) . 6_654
C5G N1G C16G 87.2(17) 12_757 6_654
C22G N1G C16G 112(2) 12_757 6_654
N1G C25G C30G 111.8 . .
N1G C25G C26G 110.7 . .
C30G C25G C26G 113.6 . .
C25G C26G C27G 111.3 . .
C25G C26G C7G 91(3) . 6_654
C27G C26G C7G 34(3) . 6_654
C26G C27G C28G 112.1 . .
C29G C28G C27G 110.9 . .
C28G C29G C30G 113.1 . .
C28G C29G C19G 156(5) . 12_757
C30G C29G C19G 70(3) . 12_757
C25G C30G C29G 109.7 . .
C25G C30G C4G 57.1(13) . 12_757
C29G C30G C4G 159.0(19) . 12_757
C25G C30G C19G 152(5) . 12_757
C29G C30G C19G 65(3) . 12_757
C4G C30G C19G 134(3) 12_757 12_757
N1G C25X C26X 102(4) . .
N1G C25X C30X 143(4) . .
C26X C25X C30X 113.6 . .
C25X C26X C27X 109.7 . .
C25X C26X C16G 96(3) . 15_666
C27X C26X C16G 26(3) . 15_666
C28X C27X C26X 113.1 . .
C27X C28X C29X 110.9 . .
C30X C29X C28X 112.1 . .
C25X C30X C29X 111.4 . .
O1N N1N O2N 116(3) . .
O1N N1N O3N 129(3) . .
O2N N1N O3N 116(3) . .
O9 O2X O14 133(3) . .
O5N N2N O6N 126(2) . .
O5N N2N O4N 111(2) . .
O6N N2N O4N 123(2) . .
O8N N3N O7N 111(3) . .
O8N N3N O9N 118(3) . .
O7N N3N O9N 131(3) . .
O16 O6X O7X 117(3) . .
O9X O8X O11X 27.9(15) . .
O9X O8X O17 143(4) . .
O11X O8X O17 118(3) . .
O11X O9X O8X 95(3) . .
O9X O11X O8X 57(3) . .
O4 O12X O10X 89(3) . .
O13 O2 O10 150(6) . .
O12 O7 O16 93(3) . .
O6X O16 O7 77(3) . .
O13X O17 O6 115(2) . .
O13X O17 O8X 169(3) . .
O6 O17 O8X 75(2) . .
O5X O20 O21 108(4) . .
O20 O21 O15X 140(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N3L 2.035(5) .
Pd1 N1L 2.035(5) .
Pd1 N2P 2.051(6) .
Pd1 N3P 2.060(5) .
Pd2 N2L 2.026(5) 6_654
Pd2 N2L 2.026(5) .
Pd2 N1P 2.066(6) 6_654
Pd2 N1P 2.066(6) .
C1L N1L 1.353(8) .
C1L C2L 1.367(9) .
C2L C3L 1.388(9) .
C3L C4L 1.397(9) .
C3L C17L 1.483(8) .
C4L C5L 1.383(9) .
C5L N1L 1.344(8) .
C6L N2L 1.350(8) .
C6L C7L 1.378(9) .
C7L C8L 1.385(8) .
C8L C9L 1.378(9) .
C8L C16L 1.479(9) .
C9L C10L 1.391(9) .
C10L N2L 1.345(8) .
C11L C12L 1.376(9) .
C11L C15L 1.389(9) .
C11L C18L 1.490(9) .
C12L C13L 1.379(9) .
C13L N3L 1.339(8) 12_757
C14L N3L 1.337(8) 12_757
C14L C15L 1.385(9) .
C16L N4L 1.332(8) .
C16L N5L 1.337(8) .
C17L N6L 1.328(8) .
C17L N5L 1.340(8) .
C18L N4L 1.333(8) .
C18L N6L 1.340(8) .
N3L C14L 1.337(8) 15_666
N3L C13L 1.339(8) 15_666
C1P C1P 1.500(18) 6_654
C1P N1P 1.505(11) .
C2P N1P 1.494(9) .
C3P N1P 1.491(11) .
C4P N2P 1.457(11) .
C5P N2P 1.509(12) .
C6P C7P 1.327(15) .
C6P N2P 1.466(11) .
C7P N3P 1.490(12) .
C8P N3P 1.446(12) .
C9P N3P 1.452(10) .
C1G C6G 1.381(19) .
C1G C2G 1.38(2) .
C1G C28X 1.9(3) 6_654
C2G C3G 1.389(19) .
C3G C4G 1.48(3) .
C3G C22G 1.528(16) .
C4G C24G 0.82(4) 15_666
C4G O1G 1.09(5) 15_666
C4G N1G 1.12(4) 15_666
C4G C17G 1.388(16) .
C4G C5G 1.398(17) .
C4G O2G 1.71(6) 6_654
C4G C25G 1.74(6) 15_666
C4G C25X 1.82(5) 15_666
C4G C26X 1.98(14) 15_666
C4G C30G 2.01(8) 15_666
C5G C24G 0.65(4) 15_666
C5G C22G 0.94(5) 15_666
C5G C10G 1.393(17) .
C5G C6G 1.399(19) .
C5G C25X 1.48(7) 6_654
C5G C25G 1.5(2) 6_654
C5G C30X 1.7(2) 6_654
C5G N1G 1.70(5) 15_666
C5G O1G 1.72(5) 15_666
C5G C21G 1.98(5) 15_666
C5G C29X 2.0(2) 6_654
C6G C29X 0.6(2) 6_654
C6G C12G 1.08(6) 12_757
C6G C13G 1.19(5) 12_757
C6G C30X 1.3(3) 6_654
C6G C7G 1.40(2) .
C6G C22G 1.53(4) 15_666
C6G C21G 1.82(6) 15_666
C6G C28X 1.9(2) 6_654
C6G C24G 1.96(5) 15_666
C6G C11G 1.98(5) 12_757
C7G C29X 1.1(3) 6_654
C7G C30X 1.2(2) 6_654
C7G C8G 1.39(2) .
C7G C28X 1.88(19) 6_654
C7G C26G 1.9(2) 6_654
C8G C9G 1.38(2) .
C9G C10G 1.383(19) .
C10G C22G 1.07(6) 15_666
C10G C25X 1.11(6) 6_654
C10G C3G 1.17(4) 15_666
C10G C25G 1.36(11) 6_654
C10G C11G 1.396(18) .
C10G N1G 1.42(5) 6_654
C10G C26G 1.48(16) 6_654
C10G C2G 1.53(5) 15_666
C10G C24G 1.64(5) 15_666
C10G C30X 1.7(2) 6_654
C11G C23G 0.95(5) 6_654
C11G N1G 1.29(5) 6_654
C11G C2G 1.37(5) 15_666
C11G C12G 1.39(2) .
C11G C16G 1.41(3) .
C11G O2G 1.54(5) 6_654
C11G C1G 1.58(5) 15_666
C11G C3G 1.78(5) 15_666
C11G C6G 1.98(5) 15_666
C11G C21G 2.03(5) 6_654
C12G C13G 1.39(2) .
C12G C28X 1.8(3) 12_757
C13G C29X 0.6(3) 12_757
C13G C28X 1.2(4) 12_757
C13G C14G 1.40(2) .
C13G C30X 1.8(3) 12_757
C13G C27G 2.01(10) 12_757
C13G C21G 2.03(7) 6_654
C14G C15G 1.39(2) .
C15G C27X 0.50(6) 12_757
C15G C29G 0.98(5) 12_757
C15G C21G 0.98(5) 6_654
C15G C28X 1.3(4) 12_757
C15G C18G 1.38(6) 6_654
C15G C20G 1.39(2) .
C15G C16G 1.392(19) .
C15G C26X 1.5(2) 12_757
C15G C30G 1.54(11) 12_757
C15G C23G 1.90(4) 6_654
C15G C19G 1.90(8) 6_654
C16G C23G 0.61(4) 6_654
C16G C27X 0.91(10) 12_757
C16G O2G 1.25(5) 6_654
C16G C21G 1.27(5) 6_654
C16G C17G 1.394(18) .
C16G O1G 1.83(5) 15_666
C16G C28X 1.9(2) 12_757
C16G N1G 1.95(4) 6_654
C16G C18G 1.97(5) 6_654
C16G C26X 2.0(2) 12_757
C17G O1G 1.19(5) 15_666
C17G O2G 1.35(6) 6_654
C17G C30G 1.37(6) 15_666
C17G C18G 1.50(3) .
C17G C26X 1.50(15) 15_666
C17G C23G 1.60(5) 6_654
C17G C24G 1.78(5) 15_666
C17G C27X 1.92(15) 12_757
C18G C19G 1.40(2) .
C18G C21G 1.557(16) .
C18G C16G 1.97(5) 6_654
C19G C20G 1.40(2) .
C19G C27X 1.9(2) 15_666
C19G C29G 1.97(12) 15_666
C19G C30G 2.04(11) 15_666
C21G C23G 1.50(3) .
C21G C22G 1.57(5) .
C22G C24G 1.48(3) .
C22G C29X 2.01(9) 15_666
C23G C16G 0.61(4) 6_654
C23G C11G 0.95(5) 6_654
C23G O2G 1.22(3) .
C23G N1G 1.36(3) .
C23G C27X 1.45(17) 15_666
C23G C17G 1.60(5) 6_654
C23G O1G 1.81(5) 12_757
C23G C10G 1.90(4) 6_654
C23G C15G 1.90(4) 6_654
C23G C24G 2.01(5) 12_757
C24G C5G 0.65(4) 12_757
C24G C4G 0.82(4) 12_757
C24G O1G 1.23(3) .
C24G N1G 1.39(3) .
C24G O2G 1.58(6) 15_666
C24G C10G 1.64(5) 12_757
C24G C17G 1.78(5) 12_757
C24G C25X 1.88(7) 15_666
C24G C25G 1.90(9) 15_666
C24G C6G 1.96(5) 12_757
C24G C23G 2.01(5) 15_666
O1G O2G 0.79(6) 15_666
O1G C4G 1.09(5) 12_757
O1G C17G 1.19(5) 12_757
O1G C5G 1.72(5) 12_757
O1G C23G 1.81(5) 15_666
O1G C16G 1.83(5) 12_757
O2G O1G 0.79(6) 12_757
O2G C16G 1.25(5) 6_654
O2G C17G 1.35(6) 6_654
O2G C11G 1.54(5) 6_654
O2G C24G 1.58(6) 12_757
O2G C4G 1.71(6) 6_654
O2G C10G 1.86(6) 6_654
N1G C4G 1.12(4) 12_757
N1G C11G 1.29(5) 6_654
N1G C3G 1.36(4) 12_757
N1G C10G 1.42(5) 6_654
N1G C25X 1.48(2) .
N1G C25G 1.4806 .
N1G C5G 1.70(5) 12_757
N1G C22G 1.81(5) 12_757
N1G C16G 1.95(4) 6_654
C25G C30G 1.5021 .
C25G C26G 1.5061 .
C26G C27G 1.5231 .
C26G C7G 1.94(10) 6_654
C27G C28G 1.5366 .
C28G C29G 1.4793 .
C29G C30G 1.5338 .
C29G C19G 1.97(9) 12_757
C30G C4G 2.01(6) 12_757
C30G C19G 2.04(6) 12_757
C25X C26X 1.5024 .
C25X C30X 1.5066 .
C26X C27X 1.5336 .
C26X C16G 2.00(9) 15_666
C27X C28X 1.4797 .
C28X C29X 1.5371 .
C29X C30X 1.5225 .
N1N O1N 1.27(3) .
N1N O2N 1.27(3) .
N1N O3N 1.29(3) .
O1X O3X 1.52(5) .
O2X O9 1.58(3) .
O2X O14 1.59(5) .
O4X O21X 1.53(4) .
O5X O20 1.13(5) .
N2N O5N 1.19(3) .
N2N O6N 1.25(2) .
N2N O4N 1.29(3) .
N3N O8N 1.28(3) .
N3N O7N 1.28(3) .
N3N O9N 1.31(3) .
O6X O16 1.49(5) .
O6X O7X 1.62(5) .
O8X O9X 1.41(6) .
O8X O11X 1.68(6) .
O8X O17 1.80(6) .
O9X O11X 0.79(3) .
O10X O12X 1.66(5) .
O12X O4 1.21(4) .
O13X O17 1.49(3) .
O14X O17X 1.80(3) .
O15X O21 1.60(4) .
O2 O13 1.34(8) .
O2 O10 1.52(7) .
O5 O15 1.80(7) .
O6 O17 1.78(3) .
O7 O12 1.53(5) .
O7 O16 1.59(5) .
O11 O19 1.47(4) .
O20 O21 1.33(4) .
