#------------------------------------------------------------------------------
#$Date: 2025-11-29 21:37:14 +0100 (Sat 29 de Nov de 2025) $
#$Revision: 303764 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/96/7719637.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_7719637
loop_
_publ_author_name
'de Montmollin, Jean'
'Fadaei-Tirani, Farzaneh'
'Severin, Kay'
_publ_section_title
;
 Wide variability in the stability of
 Pd₆Lₓ-type coordination cages.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15773
_journal_page_last               15779
_journal_paper_doi               10.1039/d5dt02223a
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C192 H158 N64 Pd8'
_chemical_formula_sum            'C192 H158 N64 Pd8'
_chemical_formula_weight         4213.01
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_date             2025-08-07
_audit_creation_method
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2025-09-12 deposited with the CCDC.	2025-10-03 downloaded from the CCDC.
;
_cell_angle_alpha                96.6247(9)
_cell_angle_beta                 94.5683(9)
_cell_angle_gamma                112.7005(10)
_cell_formula_units_Z            2
_cell_length_a                   24.8049(3)
_cell_length_b                   27.3216(3)
_cell_length_c                   29.8355(3)
_cell_measurement_reflns_used    66731
_cell_measurement_temperature    140.00(10)
_cell_measurement_theta_max      48.3910
_cell_measurement_theta_min      1.8090
_cell_volume                     18358.0(4)
_computing_cell_refinement       'CrysAlisPro 1.171.43.130a (Rigaku OD, 2024)'
_computing_data_collection
'CrysAlisPro system (CCD 43.131a 64-bit (release 19-07-2024))'
_computing_data_reduction        'CrysAlisPro 1.171.43.130a (Rigaku OD, 2024)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT 2018/2 (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      140.00(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            'HyPix-Arc 150'
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -7.00  29.00   0.50    5.00    --   29.66 -97.00-137.00   72
  2  ω     -7.00  18.00   0.50    5.00    --   30.82 -97.00-137.00   50
  3  ω    -28.00   6.00   0.50    5.00    --  -31.33  97.00 -29.00   68
  4  ω     -9.00  21.00   0.50    5.00    --    2.00 100.00-159.25   60
  5  ω    -11.00  30.00   0.50    5.00    --   -6.00  90.00 133.66   82
  6  ω     -4.00  22.00   0.50    5.00    --    6.00 100.00 -72.90   52
  7  ω     -4.00  21.00   0.50    5.00    --    6.00  99.00 -11.64   50
  8  ω    -23.00   2.00   0.50    5.00    --  -10.00 103.00 -63.01   50
  9  ω    -46.00 -21.00   0.50    5.00    --  -10.00 139.00 -34.37   50
 10  ω    -14.00  13.00   0.50    5.00    --  -10.00 102.00  43.29   54
 11  ω      6.00  34.00   0.50    5.00    --   14.00  94.00 150.11   56
 12  ω     16.00  41.00   0.50    5.00    --   18.00  86.00  99.72   50
 13  ω     12.00  37.00   0.50    5.00    --   18.00  92.00 -51.35   50
 14  ω     15.00  40.00   0.50    5.00    --   18.00  87.00-157.09   50
 15  ω     27.00  58.00   0.50    5.00    --   22.00  76.00-156.37   62
 16  ω     17.00  42.00   0.50    5.00    --   22.00  90.00 122.15   50
 17  ω     17.00  42.00   0.50    5.00    --   22.00  90.00  51.46   50
 18  ω     25.00  50.00   0.50    5.00    --   22.00  77.00   2.10   50
 19  ω     17.00  42.00   0.50    5.00    --   22.00  90.00   5.30   50
 20  ω     25.00  50.00   0.50    5.00    --   22.00  77.00 -46.69   50
 21  ω     17.00  42.00   0.50    5.00    --   22.00  90.00-125.96   50
 22  ω     30.00  55.00   0.50    5.00    --   26.00  76.00 -32.66   50
 23  ω     29.00  54.00   0.50    5.00    --   26.00  77.00 -96.67   50
 24  ω     31.00  56.00   0.50    5.00    --   26.00  76.00 142.55   50
 25  ω    -65.00 -33.00   0.50    5.00    --  -30.00 -77.00-141.65   64
 26  ω     36.00  63.00   0.50    5.00    --   30.24  73.00 135.57   54
 27  ω     35.00  60.00   0.50    5.00    --   30.24  75.00-130.41   50
 28  ω     34.00  59.00   0.50    5.00    --   30.24  76.00-166.75   50
 29  ω     34.00  59.00   0.50    5.00    --   30.24  76.00 -80.55   50
 30  ω     35.00  62.00   0.50    5.00    --   30.24  75.00  25.35   54
 31  ω     35.00  60.00   0.50    5.00    --   30.24  75.00  50.52   50
 32  ω     42.00  68.00   0.50    5.00    --   30.24  51.00 -54.79   52
 33  ω     43.00  70.00   0.50    5.00    --   30.24  66.00 108.08   54
 34  ω     34.00  59.00   0.50    5.00    --   30.24  77.00-154.99   50
 35  ω     36.00  66.00   0.50    5.00    --   30.24  75.00  62.76   60
 36  ω     34.00  59.00   0.50    5.00    --   30.24  76.00  -3.49   50
 37  ω     34.00  59.00   0.50    5.00    --   30.24  77.00  77.53   50
 38  ω     41.00  66.00   0.50    5.00    --   30.24  37.00 -89.16   50
 39  ω     34.00  59.00   0.50    5.00    --   30.24  76.00 -95.22   50
 40  ω     34.00  60.00   0.50    5.00    --   30.24  76.00 -30.01   52
 41  ω     36.00  64.00   0.50    5.00    --   30.24  77.00  31.64   56
 42  ω     34.00  61.00   0.50    5.00    --   30.24  76.00 173.89   54
 43  ω     35.00  60.00   0.50    5.00    --   30.24  77.00 -95.19   50
 44  ω     35.00  60.00   0.50    5.00    --   30.24  75.00 -48.44   50
 45  ω     43.00  74.00   0.50    5.00    --   30.24  38.00-142.46   62
 46  ω     34.00  59.00   0.50    5.00    --   30.24  76.00  96.81   50
 47  ω     34.00  60.00   0.50    5.00    --   30.24  77.00 -67.99   52
 48  ω     36.00  66.00   0.50    5.00    --   30.24  74.00 119.63   60
 49  ω     35.00  62.00   0.50    5.00    --   30.24  77.00 152.54   54
 50  ω     35.00  60.00   0.50    5.00    --   30.24  75.00-125.94   50
 51  ω    -14.00  18.00   0.50    5.00    --   30.82 -19.00 150.00   64
 52  ω    -65.00 -38.00   0.50    5.00    --  -31.33 -75.00 -63.48   54
 53  ω    -14.00  11.00   0.50    5.00    --  -31.33  19.00 -60.00   50
 54  ω    -31.00  -4.00   0.50    5.00    --  -31.33  82.00 134.48   54
 55  ω    -19.00  12.00   0.50    5.00    --  -31.33  53.00 -26.23   62
 56  ω    -17.00  14.00   0.50    5.00    --  -31.33  19.00 120.00   62
 57  ω    -66.00 -36.00   0.50    5.00    --  -31.33 -74.00-106.52   60
 58  ω    -11.00  15.00   0.50    5.00    --  -31.33  19.00 -90.00   52
 59  ω    -68.00 -27.00   0.50    5.00    --  -31.33   0.00-180.00   82
 60  ω    -14.00  15.00   0.50    5.00    --  -31.33  19.00   0.00   58
 61  ω    -22.00   4.00   0.50    5.00    --  -31.33  35.00-106.18   52
 62  ω    -16.00  12.00   0.50    5.00    --  -31.33  44.00 -55.38   56
 63  ω    -17.00  10.00   0.50    5.00    --  -31.33  19.00 150.00   54
 64  ω    -20.00  12.00   0.50    5.00    --  -31.33  52.00  33.70   64
 65  ω    -18.00  11.00   0.50    5.00    --  -31.33  51.00  57.19   58
 66  ω    -21.00   4.00   0.50    5.00    --  -31.33   0.00-180.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix-Arc 150'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0677646000
_diffrn_orient_matrix_UB_12      0.0207824000
_diffrn_orient_matrix_UB_13      0.0052117000
_diffrn_orient_matrix_UB_21      -0.0038298000
_diffrn_orient_matrix_UB_22      -0.0272263000
_diffrn_orient_matrix_UB_23      -0.0490157000
_diffrn_orient_matrix_UB_31      0.0032177000
_diffrn_orient_matrix_UB_32      0.0515686000
_diffrn_orient_matrix_UB_33      -0.0179721000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0615
_diffrn_reflns_av_unetI/netI     0.0799
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            232490
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        51.425
_diffrn_reflns_theta_max         51.425
_diffrn_reflns_theta_min         1.775
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    3.378
_exptl_absorpt_correction_T_max  0.958
_exptl_absorpt_correction_T_min  0.811
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.130a (Rigaku Oxford Diffraction, 2024)
Numerical absorption correction based on Gaussian integration over
a multifaceted crystal model.
Empirical absorption correction using spherical harmonics
as implemented in SCALE3 ABSPACK scaling algorithm
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    0.762
_exptl_crystal_description       prism
_exptl_crystal_F_000             4252
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.957
_refine_diff_density_min         -0.881
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.305
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1906
_refine_ls_number_reflns         39190
_refine_ls_number_restraints     4272
_refine_ls_restrained_S_all      1.273
_refine_ls_R_factor_all          0.1544
_refine_ls_R_factor_gt           0.1137
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3637
_refine_ls_wR_factor_ref         0.3831
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20931
_reflns_number_total             39190
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt02223a2.cif
_cod_data_source_block           jm-346-2nd-filtrate
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Gaussian' was
changed to 'gaussian' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7719637--7719640.cif.
;
_cod_database_code               7719637
_shelx_shelxl_version_number     2019/3
_audit_contact_author            'Farzaneh Fadaei Tirani'
_chemical_oxdiff_formula         'C144 H120 B16 N48 F64 Pd8 '
_chemical_oxdiff_usercomment     'crystallised from iPr2O diffusion into CD3NO2'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.877
_shelx_estimated_absorpt_t_min   0.751
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.005 and sigma
for terminal atoms of 0.01 within 2A
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C1(H1), C10(H10), C11(H11), C12(H12), C13(H13), C15(H15),
 C14(H14), C22(H22), C24(H24), C23(H23), C26(H26), C27(H27), C25(H25), C34(H34),
  C35(H35), C36(H36), C39(H39), C38(H38), C37(H37), C48(H48), C47(H47),
 C46(H46), C49(H49), C50(H50), C51(H51), C60(H60), C59(H59), C58(H58), C84(H84),
  C83(H83), C82(H82), C61(H61), C62(H62), C63(H63), C71(H71), C72(H72),
 C70(H70), C87(H87), C86(H86), C85(H85), C94(H94), C96(H96), C95(H95), C98(H98),
  C99(H99), C97(H97), C106(H106), C107(H107), C108(H108), C191(H191),
 C192(H192), C190(H190), C116(H116), C117(H117), C115(H115), C120(H120),
 C119(H119), C118(H118), C127(H127), C128(H128), C129(H129), C131(H131),
 C132(H132), C130(H130), C140(H140), C141(H141), C139(H139), C143(H143),
 C144(H144), C142(H142), C153(H153), C152(H152), C151(H151), C156(H156),
 C155(H155), C154(H154), C165(H165), C164(H164), C163(H163), C168(H168),
 C167(H167), C166(H166), C177(H177), C176(H176), C175(H175), C179(H179),
 C180(H180), C178(H178), C6(H6), C5(H5), C9(H9), C8(H8), C20(H20), C21(H21),
 C17(H17), C18(H18), C32(H32), C33(H33), C29(H29), C30(H30), C42(H42), C41(H41),
  C45(H45), C44(H44), C53(H53), C54(H54), C56(H56), C57(H57), C69(H69),
 C68(H68), C66(H66), C65(H65), C75(H75), C80(H80), C81(H81), C77(H77), C78(H78),
  C93(H93), C92(H92), C90(H90), C89(H89), C101(H101), C102(H102), C104(H104),
 C105(H105), C110(H110), C111(H111), C113(H113), C114(H114), C122(H122),
 C123(H123), C125(H125), C126(H126), C134(H134), C135(H135), C137(H137),
 C138(H138), C149(H149), C148(H148), C146(H146), C147(H147), C159(H159),
 C158(H158), C162(H162), C161(H161), C171(H171), C170(H170), C174(H174),
 C173(H173), C186(H186), C185(H185), C183(H183), C182(H182), C187(H187),
 C189(H189), C188(H188)
4.b Fitted pentagon refined as free rotating group:
 N1(C2,C3,N2,C1), N4(C10,N3,C11,C12), N5(C13,N6,C15,C14), N7(C22,N8,C24,C23),
 N9(C26,C27,N10,C25), N12(C34,N11,C35,C36), N14(C39,C38,N13,C37), N16(C48,C47,
 N15,C46), N18(C49,N17,C50,C51), N20(C60,C59,N19,C58), N24(C84,C83,N23,C82),
 N26(C61,N25,C62,C63), N27(C71,C72,N28,C70), N30(C87,C86,N29,C85), N31(C94,N32,
 C96,C95), N33(C98,C99,N34,C97), N36(C106,N35,C107,C108), N37(C191,C192,N38,
 C190), N39(C116,C117,N40,C115), N42(C120,C119,N41,C118), N43(C127,N44,C128,
 C129), N45(C131,C132,N46,C130), N47(C140,C141,N48,C139), N49(C143,C144,N50,
 C142), N52(C153,C152,N51,C151), N54(C156,C155,N53,C154), N56(C165,C164,N55,
 C163), N58(C168,C167,N57,C166), N60(C177,C176,N59,C175), N62(C179,C180,N61,
 C178), C187(N64,C189,C188,N63)
4.c Fitted hexagon refined as free rotating group:
 C7(C6,C5,C4,C9,C8), C19(C20,C21,C16,C17,C18), C31(C32,C33,C28,C29,C30),
 C43(C42,C41,C40,C45,C44), C52(C53,C54,C55,C56,C57), C64(C69,C68,C67,C66,C65),
 C79(C80,C81,C76,C77,C78), C88(C93,C92,C91,C90,C89), C100(C101,C102,C103,C104,
 C105), C110(C111,C112,C113,C114,C109), C121(C122,C123,C124,C125,C126),
 C133(C134,C135,C136,C137,C138), C150(C149,C148,C145,C146,C147), C160(C159,C158,
 C157,C162,C161), C172(C171,C170,C169,C174,C173), C181(C186,C185,C184,C183,C182)
;
_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 2.040
_oxdiff_exptl_absorpt_empirical_full_min 0.661
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.41440(5) 0.71063(4) 0.52496(4) 0.0886(4) Uani 1 1 d . U . . .
Pd2 Pd 0.93918(5) 0.72404(4) 0.53458(4) 0.1016(4) Uani 1 1 d . U . . .
Pd3 Pd 0.96035(6) 0.58886(4) 0.11398(4) 0.1057(5) Uani 1 1 d . U . . .
Pd4 Pd 0.50843(5) 0.33681(3) 0.27633(3) 0.0755(3) Uani 1 1 d . U . . .
Pd5 Pd 0.20089(5) 0.56251(4) 0.10411(4) 0.0841(4) Uani 1 1 d . U . . .
Pd6 Pd 0.51695(6) 1.05385(4) 0.27443(5) 0.1238(5) Uani 1 1 d . U . . .
Pd7 Pd 1.04247(6) 1.07267(4) 0.27596(5) 0.1124(5) Uani 1 1 d . U . . .
Pd8 Pd 0.65817(6) 0.81622(5) -0.06654(4) 0.1104(5) Uani 1 1 d . U . . .
N1 N 0.4922(3) 0.7483(3) 0.5601(3) 0.0923(19) Uani 1 1 d G U . . .
C2 C 0.5105(4) 0.7896(3) 0.5986(3) 0.095(2) Uani 1 1 d G U . . .
H2 H 0.485654 0.802786 0.614009 0.114 Uiso 1 1 calc R U . . .
C3 C 0.5725(4) 0.8076(3) 0.6099(3) 0.096(2) Uani 1 1 d G U . . .
H3 H 0.596433 0.835003 0.634185 0.115 Uiso 1 1 calc R U . . .
N2 N 0.5925(3) 0.7774(3) 0.5784(3) 0.094(2) Uani 1 1 d G U . . .
C1 C 0.5429(4) 0.7408(3) 0.5477(3) 0.094(2) Uani 1 1 d G U . . .
H1 H 0.543505 0.715653 0.523114 0.113 Uiso 1 1 calc R U . . .
N4 N 0.8822(4) 0.7353(3) 0.5720(3) 0.099(2) Uani 1 1 d G U . . .
C10 C 0.8357(4) 0.7486(4) 0.5544(2) 0.099(2) Uani 1 1 d G U . . .
H10 H 0.828831 0.755073 0.524267 0.119 Uiso 1 1 calc R U . . .
N3 N 0.8011(3) 0.7507(3) 0.5897(3) 0.097(2) Uani 1 1 d G U . . .
C11 C 0.8264(4) 0.7386(4) 0.6292(3) 0.099(2) Uani 1 1 d G U . . .
H11 H 0.812176 0.737191 0.657843 0.119 Uiso 1 1 calc R U . . .
C12 C 0.8765(4) 0.7291(4) 0.6182(3) 0.098(2) Uani 1 1 d G U . . .
H12 H 0.901737 0.720157 0.638260 0.118 Uiso 1 1 calc R U . . .
N5 N 0.3376(4) 0.6761(4) 0.4872(3) 0.100(2) Uani 1 1 d G U . . .
C13 C 0.3303(4) 0.6643(4) 0.4389(3) 0.108(3) Uani 1 1 d G U . . .
H13 H 0.361166 0.671271 0.420475 0.129 Uiso 1 1 calc R U . . .
N6 N 0.2689(5) 0.6404(4) 0.4231(3) 0.115(2) Uani 1 1 d G U . . .
C15 C 0.2382(3) 0.6374(4) 0.4615(4) 0.116(3) Uani 1 1 d G U . . .
H15 H 0.196618 0.623098 0.460874 0.139 Uiso 1 1 calc R U . . .
C14 C 0.2807(5) 0.6595(4) 0.5012(3) 0.110(3) Uani 1 1 d G U . . .
H14 H 0.272419 0.662533 0.531662 0.132 Uiso 1 1 calc R U . . .
N7 N 0.1806(5) 0.5846(4) 0.2417(2) 0.115(2) Uani 1 1 d G U . . .
C22 C 0.2145(3) 0.5878(4) 0.2052(3) 0.102(3) Uani 1 1 d G U . . .
H22 H 0.256205 0.599514 0.208025 0.122 Uiso 1 1 calc R U . . .
N8 N 0.1753(5) 0.5705(4) 0.1638(3) 0.096(2) Uani 1 1 d G U . . .
C24 C 0.1171(4) 0.5565(4) 0.1747(3) 0.110(3) Uani 1 1 d G U . . .
H24 H 0.082085 0.543614 0.153519 0.132 Uiso 1 1 calc R U . . .
C23 C 0.1203(4) 0.5652(4) 0.2229(3) 0.118(3) Uani 1 1 d G U . . .
H23 H 0.087880 0.559213 0.239571 0.141 Uiso 1 1 calc R U . . .
N9 N 0.4234(4) 0.6427(2) 0.5224(3) 0.0872(18) Uani 1 1 d G U . . .
C26 C 0.4372(4) 0.6217(3) 0.5610(2) 0.089(2) Uani 1 1 d G U . . .
H26 H 0.443684 0.638245 0.591848 0.107 Uiso 1 1 calc R U . . .
C27 C 0.4397(4) 0.5716(3) 0.5454(3) 0.089(2) Uani 1 1 d G U . . .
H27 H 0.448148 0.548773 0.563939 0.107 Uiso 1 1 calc R U . . .
N10 N 0.4275(4) 0.5617(3) 0.4971(3) 0.0860(19) Uani 1 1 d G U . . .
C25 C 0.4174(4) 0.6056(3) 0.4829(2) 0.090(2) Uani 1 1 d G U . . .
H25 H 0.408208 0.609551 0.452327 0.108 Uiso 1 1 calc R U . . .
N12 N 0.4701(3) 0.3504(3) 0.3284(2) 0.0784(18) Uani 1 1 d G U . . .
C34 C 0.4765(3) 0.4023(2) 0.3489(3) 0.079(2) Uani 1 1 d G U . . .
H34 H 0.503046 0.435539 0.342034 0.095 Uiso 1 1 calc R U . . .
N11 N 0.4363(4) 0.3957(3) 0.3812(3) 0.0833(19) Uani 1 1 d G U . . .
C35 C 0.4051(4) 0.3398(3) 0.3808(3) 0.089(2) Uani 1 1 d G U . . .
H35 H 0.375399 0.323861 0.399195 0.107 Uiso 1 1 calc R U . . .
C36 C 0.4260(4) 0.3118(2) 0.3482(3) 0.087(2) Uani 1 1 d G U . . .
H36 H 0.412745 0.273859 0.340894 0.104 Uiso 1 1 calc R U . . .
N14 N 0.4141(4) 0.8601(3) 0.5095(3) 0.109(2) Uani 1 1 d G U . . .
C39 C 0.3764(4) 0.8480(3) 0.5437(3) 0.110(2) Uani 1 1 d G U . . .
H39 H 0.357834 0.869847 0.556582 0.132 Uiso 1 1 calc R U . . .
C38 C 0.3714(4) 0.7976(3) 0.5554(3) 0.105(2) Uani 1 1 d G U . . .
H38 H 0.348865 0.779819 0.577360 0.126 Uiso 1 1 calc R U . . .
N13 N 0.4060(4) 0.7786(3) 0.5284(3) 0.1004(19) Uani 1 1 d G U . . .
C37 C 0.4324(4) 0.8172(4) 0.5000(3) 0.103(2) Uani 1 1 d G U . . .
H37 H 0.457864 0.814716 0.478503 0.124 Uiso 1 1 calc R U . . .
N16 N 0.4928(5) 1.0488(4) 0.3339(3) 0.125(2) Uani 1 1 d G U . . .
C48 C 0.4692(5) 1.0817(3) 0.3586(4) 0.125(3) Uani 1 1 d G U . . .
H48 H 0.464156 1.111938 0.349204 0.150 Uiso 1 1 calc R U . . .
C47 C 0.4544(5) 1.0616(4) 0.3997(3) 0.127(3) Uani 1 1 d G U . . .
H47 H 0.437790 1.075946 0.422719 0.152 Uiso 1 1 calc R U . . .
N15 N 0.4689(5) 1.0162(4) 0.4005(3) 0.125(2) Uani 1 1 d G U . . .
C46 C 0.4926(5) 1.0083(3) 0.3598(4) 0.126(2) Uani 1 1 d G U . . .
H46 H 0.505951 0.980703 0.351409 0.151 Uiso 1 1 calc R U . . .
N18 N 0.8336(4) 0.5613(3) 0.4911(3) 0.107(2) Uani 1 1 d G U . . .
C49 C 0.8484(4) 0.6169(4) 0.4912(3) 0.104(3) Uani 1 1 d G U . . .
H49 H 0.829891 0.632027 0.471011 0.125 Uiso 1 1 calc R U . . .
N17 N 0.8956(4) 0.6460(3) 0.5267(3) 0.105(2) Uani 1 1 d G U . . .
C50 C 0.9101(4) 0.6084(4) 0.5486(3) 0.114(3) Uani 1 1 d G U . . .
H50 H 0.940132 0.616741 0.573509 0.137 Uiso 1 1 calc R U . . .
C51 C 0.8718(5) 0.5560(3) 0.5266(4) 0.114(3) Uani 1 1 d G U . . .
H51 H 0.871643 0.523142 0.534277 0.137 Uiso 1 1 calc R U . . .
N20 N 0.5807(3) 0.3533(3) 0.3171(3) 0.0868(19) Uani 1 1 d G U . . .
C60 C 0.5991(4) 0.3139(2) 0.3321(3) 0.094(2) Uani 1 1 d G U . . .
H60 H 0.579632 0.276186 0.322797 0.112 Uiso 1 1 calc R U . . .
C59 C 0.6516(4) 0.3410(3) 0.3633(3) 0.093(2) Uani 1 1 d G U . . .
H59 H 0.673411 0.324488 0.378650 0.111 Uiso 1 1 calc R U . . .
N19 N 0.6656(3) 0.3970(3) 0.3677(3) 0.096(2) Uani 1 1 d G U . . .
C58 C 0.6219(4) 0.4046(2) 0.3391(3) 0.089(2) Uani 1 1 d G U . . .
H58 H 0.620362 0.438145 0.335395 0.107 Uiso 1 1 calc R U . . .
N21 N 0.9806(5) 0.8035(5) 0.5393(4) 0.105(2) Uani 1 1 d . U . . .
N22 N 1.0161(5) 0.8835(5) 0.5230(5) 0.107(2) Uani 1 1 d . U . . .
N24 N 1.0594(4) 1.0704(4) 0.3411(3) 0.110(2) Uani 1 1 d G U . . .
C84 C 1.0956(4) 1.1141(3) 0.3751(3) 0.114(3) Uani 1 1 d G U . . .
H84 H 1.116344 1.150149 0.370567 0.137 Uiso 1 1 calc R U . . .
C83 C 1.0955(4) 1.0946(3) 0.4173(3) 0.114(3) Uani 1 1 d G U . . .
H83 H 1.116080 1.115332 0.445813 0.137 Uiso 1 1 calc R U . . .
N23 N 1.0592(4) 1.0388(3) 0.4092(3) 0.108(2) Uani 1 1 d G U . . .
C82 C 1.0369(4) 1.0238(3) 0.3621(3) 0.106(3) Uani 1 1 d G U . . .
H82 H 1.011381 0.988764 0.347307 0.127 Uiso 1 1 calc R U . . .
N26 N 1.0215(5) 0.6834(4) 0.4283(3) 0.131(3) Uani 1 1 d G U . . .
C61 C 0.9743(4) 0.6904(4) 0.4481(4) 0.123(3) Uani 1 1 d G U . . .
H61 H 0.936664 0.683828 0.432393 0.147 Uiso 1 1 calc R U . . .
N25 N 0.9930(5) 0.7089(4) 0.4954(3) 0.119(2) Uani 1 1 d G U . . .
C62 C 1.0519(5) 0.7133(5) 0.5049(3) 0.133(3) Uani 1 1 d G U . . .
H62 H 1.075413 0.724844 0.533871 0.160 Uiso 1 1 calc R U . . .
C63 C 1.0695(4) 0.6976(5) 0.4634(4) 0.137(3) Uani 1 1 d G U . . .
H63 H 1.106851 0.696721 0.459741 0.165 Uiso 1 1 calc R U . . .
N27 N 0.9867(4) 0.5830(4) 0.2521(3) 0.116(2) Uani 1 1 d G U . . .
C71 C 0.9761(5) 0.5287(3) 0.2357(3) 0.118(3) Uani 1 1 d G U . . .
H71 H 0.975981 0.502317 0.253831 0.141 Uiso 1 1 calc R U . . .
C72 C 0.9658(5) 0.5209(3) 0.1874(3) 0.113(3) Uani 1 1 d G U . . .
H72 H 0.957535 0.488360 0.167532 0.136 Uiso 1 1 calc R U . . .
N28 N 0.9699(4) 0.5703(4) 0.1739(3) 0.111(2) Uani 1 1 d G U . . .
C70 C 0.9828(4) 0.6087(3) 0.2140(3) 0.116(3) Uani 1 1 d G U . . .
H70 H 0.988018 0.645101 0.215008 0.139 Uiso 1 1 calc R U . . .
N30 N 0.8107(3) 0.4469(3) 0.1014(3) 0.099(2) Uani 1 1 d G U . . .
C87 C 0.8384(4) 0.4302(3) 0.0663(3) 0.103(3) Uani 1 1 d G U . . .
H87 H 0.823526 0.395902 0.047784 0.123 Uiso 1 1 calc R U . . .
C86 C 0.8922(4) 0.4739(3) 0.0639(3) 0.102(3) Uani 1 1 d G U . . .
H86 H 0.919617 0.473940 0.043417 0.123 Uiso 1 1 calc R U . . .
N29 N 0.8977(3) 0.5175(3) 0.0974(3) 0.101(2) Uani 1 1 d G U . . .
C85 C 0.8474(4) 0.5008(3) 0.1206(3) 0.099(2) Uani 1 1 d G U . . .
H85 H 0.839582 0.522009 0.144689 0.119 Uiso 1 1 calc R U . . .
N31 N 0.6086(3) 0.3342(3) 0.1714(3) 0.092(2) Uani 1 1 d G U . . .
C94 C 0.5938(4) 0.3588(2) 0.2103(3) 0.088(2) Uani 1 1 d G U . . .
H94 H 0.614249 0.395053 0.224859 0.106 Uiso 1 1 calc R U . . .
N32 N 0.5432(4) 0.3199(3) 0.2237(2) 0.0832(18) Uani 1 1 d G U . . .
C96 C 0.5267(3) 0.2712(3) 0.1931(3) 0.086(2) Uani 1 1 d G U . . .
H96 H 0.494246 0.238399 0.194009 0.103 Uiso 1 1 calc R U . . .
C95 C 0.5671(4) 0.2800(3) 0.1607(3) 0.090(2) Uani 1 1 d G U . . .
H95 H 0.566517 0.254134 0.136259 0.108 Uiso 1 1 calc R U . . .
N33 N 0.9462(5) 0.6075(4) 0.0561(3) 0.113(2) Uani 1 1 d G U . . .
C98 C 0.9824(4) 0.6165(4) 0.0208(4) 0.117(3) Uani 1 1 d G U . . .
H98 H 1.016538 0.608863 0.019469 0.140 Uiso 1 1 calc R U . . .
C99 C 0.9586(5) 0.6390(4) -0.0121(3) 0.119(3) Uani 1 1 d G U . . .
H99 H 0.974073 0.649027 -0.039349 0.143 Uiso 1 1 calc R U . . .
N34 N 0.9078(4) 0.6439(4) 0.0029(3) 0.116(2) Uani 1 1 d G U . . .
C97 C 0.9001(4) 0.6245(4) 0.0450(3) 0.114(2) Uani 1 1 d G U . . .
H97 H 0.869469 0.623023 0.062729 0.136 Uiso 1 1 calc R U . . .
N36 N 0.7136(4) 0.7848(4) -0.0837(3) 0.111(2) Uani 1 1 d G U . . .
C106 C 0.7299(4) 0.7505(4) -0.0585(3) 0.112(3) Uani 1 1 d G U . . .
H106 H 0.710787 0.733903 -0.034555 0.134 Uiso 1 1 calc R U . . .
N35 N 0.7797(4) 0.7453(4) -0.0753(3) 0.112(2) Uani 1 1 d G U . . .
C107 C 0.7942(4) 0.7765(4) -0.1109(3) 0.111(3) Uani 1 1 d G U . . .
H107 H 0.825741 0.780309 -0.128240 0.134 Uiso 1 1 calc R U . . .
C108 C 0.7534(5) 0.8009(4) -0.1161(3) 0.112(3) Uani 1 1 d G U . . .
H108 H 0.752749 0.823913 -0.137533 0.135 Uiso 1 1 calc R U . . .
N37 N 1.0252(4) 0.6612(3) 0.1305(4) 0.127(2) Uani 1 1 d G U . . .
C191 C 1.0857(5) 0.6716(4) 0.1422(4) 0.142(3) Uani 1 1 d G U . . .
H191 H 1.103565 0.646909 0.135939 0.170 Uiso 1 1 calc R U . . .
C192 C 1.1148(4) 0.7255(4) 0.1649(4) 0.149(3) Uani 1 1 d G U . . .
H192 H 1.155507 0.743125 0.176437 0.179 Uiso 1 1 calc R U . . .
N38 N 1.0723(5) 0.7484(3) 0.1672(4) 0.148(3) Uani 1 1 d G U . . .
C190 C 1.0169(4) 0.7086(4) 0.1459(4) 0.135(3) Uani 1 1 d G U . . .
H190 H 0.980734 0.713025 0.142639 0.162 Uiso 1 1 calc R U . . .
N39 N 1.1015(5) 0.9551(3) 0.2321(4) 0.154(3) Uani 1 1 d G U . . .
C116 C 1.1565(4) 0.9998(5) 0.2448(5) 0.158(3) Uani 1 1 d G U . . .
H116 H 1.194306 0.999248 0.243041 0.190 Uiso 1 1 calc R U . . .
C117 C 1.1449(5) 1.0453(3) 0.2607(5) 0.153(3) Uani 1 1 d G U . . .
H117 H 1.173608 1.080620 0.271320 0.183 Uiso 1 1 calc R U . . .
N40 N 1.0828(5) 1.0288(4) 0.2578(4) 0.138(2) Uani 1 1 d G U . . .
C115 C 1.0560(4) 0.9731(4) 0.2401(4) 0.145(3) Uani 1 1 d G U . . .
H115 H 1.014838 0.951539 0.234652 0.174 Uiso 1 1 calc R U . . .
N42 N 0.3519(4) 0.3260(3) 0.2054(3) 0.0840(19) Uani 1 1 d G U . . .
C120 C 0.3337(3) 0.2719(3) 0.2128(3) 0.086(2) Uani 1 1 d G U . . .
H120 H 0.295049 0.244621 0.205096 0.103 Uiso 1 1 calc R U . . .
C119 C 0.3836(4) 0.2656(3) 0.2339(3) 0.087(2) Uani 1 1 d G U . . .
H119 H 0.384133 0.233487 0.242673 0.104 Uiso 1 1 calc R U . . .
N41 N 0.4326(3) 0.3159(3) 0.2394(3) 0.0830(18) Uani 1 1 d G U . . .
C118 C 0.4129(4) 0.3532(2) 0.2218(3) 0.083(2) Uani 1 1 d G U . . .
H118 H 0.436543 0.389931 0.221174 0.100 Uiso 1 1 calc R U . . .
N43 N 0.2141(4) 0.4230(3) 0.1356(3) 0.0893(19) Uani 1 1 d G U . . .
C127 C 0.2372(3) 0.4759(3) 0.1247(3) 0.088(2) Uani 1 1 d G U . . .
H127 H 0.277771 0.498576 0.126677 0.105 Uiso 1 1 calc R U . . .
N44 N 0.1889(4) 0.4888(3) 0.1105(3) 0.0866(18) Uani 1 1 d G U . . .
C128 C 0.1360(3) 0.4439(3) 0.1125(3) 0.095(2) Uani 1 1 d G U . . .
H128 H 0.097096 0.441536 0.104886 0.115 Uiso 1 1 calc R U . . .
C129 C 0.1516(4) 0.4033(3) 0.1281(3) 0.096(2) Uani 1 1 d G U . . .
H129 H 0.124850 0.368928 0.132607 0.116 Uiso 1 1 calc R U . . .
N45 N 0.2317(4) 0.5535(3) 0.0466(3) 0.0873(19) Uani 1 1 d G U . . .
C131 C 0.2152(3) 0.5065(3) 0.0138(3) 0.090(2) Uani 1 1 d G U . . .
H131 H 0.180975 0.474370 0.011968 0.108 Uiso 1 1 calc R U . . .
C132 C 0.2588(4) 0.5161(3) -0.0160(3) 0.093(2) Uani 1 1 d G U . . .
H132 H 0.258920 0.491473 -0.041202 0.111 Uiso 1 1 calc R U . . .
N46 N 0.3023(3) 0.5690(3) -0.0015(3) 0.090(2) Uani 1 1 d G U . . .
C130 C 0.2856(4) 0.5921(2) 0.0372(3) 0.089(2) Uani 1 1 d G U . . .
H130 H 0.306713 0.627192 0.053886 0.106 Uiso 1 1 calc R U . . .
N47 N 0.5062(3) 0.6774(3) -0.0729(3) 0.099(2) Uani 1 1 d G U . . .
C140 C 0.5274(4) 0.6625(3) -0.1129(3) 0.102(3) Uani 1 1 d G U . . .
H140 H 0.508856 0.629579 -0.133350 0.123 Uiso 1 1 calc R U . . .
C141 C 0.5811(4) 0.7054(4) -0.1169(3) 0.106(3) Uani 1 1 d G U . . .
H141 H 0.604822 0.706257 -0.140487 0.127 Uiso 1 1 calc R U . . .
N48 N 0.5932(4) 0.7468(3) -0.0794(3) 0.108(2) Uani 1 1 d G U . . .
C139 C 0.5469(4) 0.7295(3) -0.0522(3) 0.103(3) Uani 1 1 d G U . . .
H139 H 0.543674 0.749337 -0.024927 0.124 Uiso 1 1 calc R U . . .
N49 N 0.2120(4) 0.6357(2) 0.0978(3) 0.098(2) Uani 1 1 d G U . . .
C143 C 0.1838(4) 0.6530(3) 0.0635(3) 0.109(3) Uani 1 1 d G U . . .
H143 H 0.157374 0.630750 0.037515 0.130 Uiso 1 1 calc R U . . .
C144 C 0.2022(5) 0.7095(3) 0.0747(3) 0.114(3) Uani 1 1 d G U . . .
H144 H 0.190114 0.731676 0.057614 0.136 Uiso 1 1 calc R U . . .
N50 N 0.2417(4) 0.7271(2) 0.1160(3) 0.117(2) Uani 1 1 d G U . . .
C142 C 0.2478(4) 0.6815(3) 0.1303(3) 0.107(2) Uani 1 1 d G U . . .
H142 H 0.271591 0.681530 0.156851 0.129 Uiso 1 1 calc R U . . .
N52 N 0.4389(4) 1.0069(3) 0.2499(4) 0.142(2) Uani 1 1 d G U . . .
C153 C 0.3866(5) 1.0166(3) 0.2463(4) 0.154(3) Uani 1 1 d G U . . .
H153 H 0.383502 1.049419 0.256949 0.185 Uiso 1 1 calc R U . . .
C152 C 0.3396(4) 0.9685(4) 0.2241(5) 0.158(3) Uani 1 1 d G U . . .
H152 H 0.299623 0.963580 0.217186 0.189 Uiso 1 1 calc R U . . .
N51 N 0.3630(5) 0.9292(3) 0.2139(4) 0.150(3) Uani 1 1 d G U . . .
C151 C 0.4243(5) 0.9529(4) 0.2298(4) 0.143(3) Uani 1 1 d G U . . .
H151 H 0.450969 0.935681 0.227487 0.172 Uiso 1 1 calc R U . . .
N54 N 0.5547(5) 1.0356(4) 0.1397(3) 0.143(2) Uani 1 1 d G U . . .
C156 C 0.5635(6) 1.0905(4) 0.1445(4) 0.141(3) Uani 1 1 d G U . . .
H156 H 0.573155 1.112699 0.121526 0.169 Uiso 1 1 calc R U . . .
C155 C 0.5553(6) 1.1066(3) 0.1895(4) 0.139(3) Uani 1 1 d G U . . .
H155 H 0.558577 1.141350 0.202029 0.167 Uiso 1 1 calc R U . . .
N53 N 0.5415(5) 1.0615(4) 0.2126(3) 0.134(2) Uani 1 1 d G U . . .
C154 C 0.5411(5) 1.0176(3) 0.1819(4) 0.136(3) Uani 1 1 d G U . . .
H154 H 0.533103 0.982443 0.188330 0.163 Uiso 1 1 calc R U . . .
N56 N 0.6020(5) 0.8499(4) -0.0519(4) 0.129(2) Uani 1 1 d G U . . .
C165 C 0.5462(5) 0.8453(4) -0.0724(3) 0.138(3) Uani 1 1 d G U . . .
H165 H 0.525336 0.823750 -0.100580 0.166 Uiso 1 1 calc R U . . .
C164 C 0.5272(5) 0.8787(5) -0.0435(5) 0.146(3) Uani 1 1 d G U . . .
H164 H 0.491353 0.883380 -0.048832 0.175 Uiso 1 1 calc R U . . .
N55 N 0.5712(6) 0.9039(4) -0.0051(4) 0.146(3) Uani 1 1 d G U . . .
C163 C 0.6174(5) 0.8861(5) -0.0103(4) 0.138(3) Uani 1 1 d G U . . .
H163 H 0.652494 0.896568 0.010427 0.165 Uiso 1 1 calc R U . . .
N58 N 0.7012(4) 1.1320(4) 0.3155(4) 0.138(2) Uani 1 1 d G U . . .
C168 C 0.6832(5) 1.1693(4) 0.3403(4) 0.139(3) Uani 1 1 d G U . . .
H168 H 0.708534 1.201780 0.359451 0.167 Uiso 1 1 calc R U . . .
C167 C 0.6208(5) 1.1495(4) 0.3316(4) 0.137(3) Uani 1 1 d G U . . .
H167 H 0.596972 1.166432 0.343880 0.165 Uiso 1 1 calc R U . . .
N57 N 0.6002(4) 1.1000(4) 0.3014(4) 0.130(2) Uani 1 1 d G U . . .
C166 C 0.6499(5) 1.0892(4) 0.2914(4) 0.133(3) Uani 1 1 d G U . . .
H166 H 0.649018 1.058674 0.272032 0.160 Uiso 1 1 calc R U . . .
N60 N 0.9989(4) 1.1176(4) 0.2905(4) 0.123(2) Uani 1 1 d G U . . .
C177 C 1.0194(4) 1.1742(4) 0.2925(4) 0.128(3) Uani 1 1 d G U . . .
H177 H 1.058489 1.197940 0.290050 0.153 Uiso 1 1 calc R U . . .
C176 C 0.9713(5) 1.1890(3) 0.2989(4) 0.133(3) Uani 1 1 d G U . . .
H176 H 0.972514 1.224402 0.301456 0.160 Uiso 1 1 calc R U . . .
N59 N 0.9210(4) 1.1416(4) 0.3008(4) 0.133(2) Uani 1 1 d G U . . .
C175 C 0.9381(4) 1.0975(3) 0.2956(4) 0.128(3) Uani 1 1 d G U . . .
H175 H 0.913225 1.060938 0.295562 0.154 Uiso 1 1 calc R U . . .
N62 N 0.9730(5) 1.0604(5) 0.1423(3) 0.146(3) Uani 1 1 d G U . . .
C179 C 1.0199(6) 1.1120(4) 0.1484(4) 0.149(3) Uani 1 1 d G U . . .
H179 H 1.029214 1.135499 0.126399 0.179 Uiso 1 1 calc R U . . .
C180 C 1.0503(4) 1.1224(4) 0.1931(4) 0.146(3) Uani 1 1 d G U . . .
H180 H 1.083588 1.153996 0.206255 0.176 Uiso 1 1 calc R U . . .
N61 N 1.0222(5) 1.0771(4) 0.2146(3) 0.132(2) Uani 1 1 d G U . . .
C178 C 0.9745(5) 1.0388(3) 0.1833(4) 0.134(3) Uani 1 1 d G U . . .
H178 H 0.948097 1.004740 0.188708 0.161 Uiso 1 1 calc R U . . .
C7 C 0.7549(3) 0.7646(4) 0.5855(4) 0.098(2) Uani 1 1 d G U . . .
C6 C 0.7391(4) 0.7880(3) 0.6233(3) 0.096(2) Uani 1 1 d G U . . .
H6 H 0.764866 0.800253 0.651294 0.116 Uiso 1 1 calc R U . . .
C5 C 0.6855(4) 0.7935(3) 0.6202(3) 0.095(2) Uani 1 1 d G U . . .
H5 H 0.674718 0.809460 0.646023 0.114 Uiso 1 1 calc R U . . .
C4 C 0.6478(3) 0.7755(4) 0.5793(3) 0.095(2) Uani 1 1 d G U . . .
C9 C 0.6636(4) 0.7521(4) 0.5415(3) 0.100(3) Uani 1 1 d G U . . .
H9 H 0.637869 0.739873 0.513524 0.120 Uiso 1 1 calc R U . . .
C8 C 0.7172(4) 0.7467(4) 0.5446(3) 0.101(3) Uani 1 1 d G U . . .
H8 H 0.728017 0.730665 0.518795 0.121 Uiso 1 1 calc R U . . .
C19 C 0.2019(6) 0.6030(5) 0.2846(3) 0.131(3) Uani 1 1 d G U . . .
C20 C 0.2579(5) 0.6426(5) 0.2995(4) 0.141(3) Uani 1 1 d G U . . .
H20 H 0.281021 0.661561 0.278289 0.170 Uiso 1 1 calc R U . . .
C21 C 0.2802(4) 0.6546(4) 0.3455(4) 0.141(3) Uani 1 1 d G U . . .
H21 H 0.318473 0.681710 0.355740 0.169 Uiso 1 1 calc R U . . .
C16 C 0.2464(6) 0.6269(5) 0.3766(3) 0.128(3) Uani 1 1 d G U . . .
C17 C 0.1903(5) 0.5873(5) 0.3617(4) 0.139(3) Uani 1 1 d G U . . .
H17 H 0.167239 0.568330 0.382984 0.167 Uiso 1 1 calc R U . . .
C18 C 0.1681(4) 0.5753(4) 0.3157(4) 0.141(3) Uani 1 1 d G U . . .
H18 H 0.129786 0.548180 0.305534 0.169 Uiso 1 1 calc R U . . .
C31 C 0.4327(4) 0.4362(3) 0.4100(3) 0.083(2) Uani 1 1 d G U . . .
C32 C 0.4439(4) 0.4852(3) 0.3953(2) 0.088(2) Uani 1 1 d G U . . .
H32 H 0.453101 0.489678 0.365374 0.105 Uiso 1 1 calc R U . . .
C33 C 0.4417(4) 0.5277(2) 0.4245(3) 0.086(2) Uani 1 1 d G U . . .
H33 H 0.449404 0.561245 0.414460 0.103 Uiso 1 1 calc R U . . .
C28 C 0.4283(4) 0.5212(3) 0.4684(3) 0.086(2) Uani 1 1 d G U . . .
C29 C 0.4171(4) 0.4722(3) 0.4831(2) 0.087(2) Uani 1 1 d G U . . .
H29 H 0.407956 0.467711 0.513043 0.105 Uiso 1 1 calc R U . . .
C30 C 0.4193(4) 0.4297(2) 0.4539(3) 0.084(2) Uani 1 1 d G U . . .
H30 H 0.411652 0.396144 0.463957 0.101 Uiso 1 1 calc R U . . .
C43 C 0.4597(5) 0.9810(4) 0.4339(3) 0.124(2) Uani 1 1 d G U . . .
C42 C 0.4077(4) 0.9672(4) 0.4532(4) 0.123(3) Uani 1 1 d G U . . .
H42 H 0.381945 0.984639 0.447295 0.147 Uiso 1 1 calc R U . . .
C41 C 0.3935(4) 0.9280(4) 0.4812(4) 0.117(3) Uani 1 1 d G U . . .
H41 H 0.357923 0.918591 0.494404 0.141 Uiso 1 1 calc R U . . .
C40 C 0.4312(5) 0.9026(4) 0.4899(3) 0.115(2) Uani 1 1 d G U . . .
C45 C 0.4832(4) 0.9163(4) 0.4705(4) 0.118(3) Uani 1 1 d G U . . .
H45 H 0.509002 0.898929 0.476444 0.142 Uiso 1 1 calc R U . . .
C44 C 0.4975(4) 0.9556(4) 0.4425(4) 0.124(3) Uani 1 1 d G U . . .
H44 H 0.533025 0.964976 0.429335 0.149 Uiso 1 1 calc R U . . .
C52 C 0.7929(4) 0.5209(3) 0.4619(3) 0.103(2) Uani 1 1 d G U . . .
C53 C 0.7441(5) 0.5281(3) 0.4427(3) 0.107(3) Uani 1 1 d G U . . .
H53 H 0.739374 0.560619 0.451640 0.128 Uiso 1 1 calc R U . . .
C54 C 0.7022(4) 0.4878(4) 0.4104(3) 0.107(3) Uani 1 1 d G U . . .
H54 H 0.668847 0.492769 0.397320 0.129 Uiso 1 1 calc R U . . .
C55 C 0.7091(4) 0.4403(3) 0.3974(3) 0.103(2) Uani 1 1 d G U . . .
C56 C 0.7579(5) 0.4331(3) 0.4166(3) 0.110(3) Uani 1 1 d G U . . .
H56 H 0.762612 0.400628 0.407678 0.132 Uiso 1 1 calc R U . . .
C57 C 0.7998(4) 0.4734(4) 0.4489(3) 0.109(3) Uani 1 1 d G U . . .
H57 H 0.833140 0.468477 0.461998 0.131 Uiso 1 1 calc R U . . .
C64 C 1.0156(5) 0.6576(4) 0.3854(3) 0.131(3) Uani 1 1 d G U . . .
C69 C 1.0372(5) 0.6186(5) 0.3733(4) 0.134(3) Uani 1 1 d G U . . .
H69 H 1.058963 0.609035 0.395792 0.161 Uiso 1 1 calc R U . . .
C68 C 1.0270(5) 0.5938(4) 0.3283(4) 0.130(3) Uani 1 1 d G U . . .
H68 H 1.041802 0.567169 0.320012 0.156 Uiso 1 1 calc R U . . .
C67 C 0.9952(5) 0.6078(4) 0.2954(3) 0.123(3) Uani 1 1 d G U . . .
C66 C 0.9736(5) 0.6467(4) 0.3075(4) 0.127(3) Uani 1 1 d G U . . .
H66 H 0.951797 0.656350 0.285000 0.152 Uiso 1 1 calc R U . . .
C65 C 0.9837(5) 0.6716(4) 0.3525(4) 0.130(3) Uani 1 1 d G U . . .
H65 H 0.968957 0.698216 0.360780 0.156 Uiso 1 1 calc R U . . .
C73 C 0.9794(7) 0.8320(6) 0.5081(5) 0.102(3) Uani 1 1 d . U . . .
C74 C 1.0177(7) 0.8391(6) 0.5791(5) 0.109(3) Uani 1 1 d . U . . .
C75 C 1.0357(7) 0.8902(6) 0.5667(6) 0.110(3) Uani 1 1 d . U . . .
H75 H 1.057868 0.923485 0.585988 0.132 Uiso 1 1 calc R U . . .
C79 C 1.0461(5) 1.0027(3) 0.4371(3) 0.107(2) Uani 1 1 d G U . . .
C80 C 0.9910(4) 0.9607(4) 0.4328(3) 0.109(3) Uani 1 1 d G U . . .
H80 H 0.960273 0.958264 0.410387 0.130 Uiso 1 1 calc R U . . .
C81 C 0.9808(3) 0.9221(3) 0.4613(4) 0.110(3) Uani 1 1 d G U . . .
H81 H 0.943112 0.893400 0.458411 0.132 Uiso 1 1 calc R U . . .
C76 C 1.0258(5) 0.9256(3) 0.4941(3) 0.109(2) Uani 1 1 d G U . . .
C77 C 1.0809(4) 0.9676(4) 0.4984(3) 0.107(3) Uani 1 1 d G U . . .
H77 H 1.111627 0.970034 0.520792 0.129 Uiso 1 1 calc R U . . .
C78 C 1.0911(3) 1.0062(3) 0.4699(4) 0.109(3) Uani 1 1 d G U . . .
H78 H 1.128789 1.034898 0.472768 0.131 Uiso 1 1 calc R U . . .
C88 C 0.7593(3) 0.4182(3) 0.1168(3) 0.094(2) Uani 1 1 d G U . . .
C93 C 0.7243(4) 0.4440(3) 0.1325(3) 0.091(2) Uani 1 1 d G U . . .
H93 H 0.735232 0.481051 0.131029 0.109 Uiso 1 1 calc R U . . .
C92 C 0.6732(4) 0.4155(3) 0.1502(3) 0.092(2) Uani 1 1 d G U . . .
H92 H 0.649288 0.433076 0.160942 0.110 Uiso 1 1 calc R U . . .
C91 C 0.6572(3) 0.3612(3) 0.1523(3) 0.091(2) Uani 1 1 d G U . . .
C90 C 0.6923(4) 0.3354(3) 0.1367(3) 0.095(2) Uani 1 1 d G U . . .
H90 H 0.681346 0.298285 0.138099 0.113 Uiso 1 1 calc R U . . .
C89 C 0.7433(4) 0.3639(3) 0.1189(3) 0.093(2) Uani 1 1 d G U . . .
H89 H 0.767289 0.346259 0.108186 0.112 Uiso 1 1 calc R U . . .
C100 C 0.8760(5) 0.6654(4) -0.0205(4) 0.119(2) Uani 1 1 d G U . . .
C101 C 0.9030(4) 0.7085(4) -0.0431(4) 0.121(3) Uani 1 1 d G U . . .
H101 H 0.943803 0.720290 -0.045720 0.145 Uiso 1 1 calc R U . . .
C102 C 0.8702(5) 0.7343(3) -0.0618(3) 0.117(3) Uani 1 1 d G U . . .
H102 H 0.888555 0.763727 -0.077193 0.140 Uiso 1 1 calc R U . . .
C103 C 0.8104(5) 0.7170(4) -0.0579(3) 0.116(2) Uani 1 1 d G U . . .
C104 C 0.7835(4) 0.6739(4) -0.0354(4) 0.120(3) Uani 1 1 d G U . . .
H104 H 0.742650 0.662116 -0.032715 0.143 Uiso 1 1 calc R U . . .
C105 C 0.8163(5) 0.6481(3) -0.0167(3) 0.121(3) Uani 1 1 d G U . . .
H105 H 0.797896 0.618678 -0.001242 0.145 Uiso 1 1 calc R U . . .
C110 C 1.1309(5) 0.8352(5) 0.2044(5) 0.166(3) Uani 1 1 d G U . . .
H110 H 1.161351 0.823034 0.210998 0.199 Uiso 1 1 calc R U . . .
C111 C 1.1399(5) 0.8881(5) 0.2197(4) 0.165(3) Uani 1 1 d G U . . .
H111 H 1.176432 0.912105 0.236856 0.198 Uiso 1 1 calc R U . . .
C112 C 1.0954(6) 0.9059(3) 0.2100(5) 0.161(3) Uani 1 1 d G U . . .
C113 C 1.0420(5) 0.8707(5) 0.1850(5) 0.163(3) Uani 1 1 d G U . . .
H113 H 1.011567 0.882865 0.178371 0.196 Uiso 1 1 calc R U . . .
C114 C 1.0330(5) 0.8178(4) 0.1696(4) 0.164(3) Uani 1 1 d G U . . .
H114 H 0.996485 0.793794 0.152512 0.197 Uiso 1 1 calc R U . . .
C109 C 1.0775(6) 0.8000(3) 0.1793(5) 0.159(3) Uani 1 1 d G U . . .
C121 C 0.3186(4) 0.3491(3) 0.1856(3) 0.086(2) Uani 1 1 d G U . . .
C122 C 0.3400(3) 0.3868(3) 0.1570(3) 0.086(2) Uani 1 1 d G U . . .
H122 H 0.379025 0.396689 0.149783 0.103 Uiso 1 1 calc R U . . .
C123 C 0.3041(4) 0.4102(3) 0.1388(3) 0.086(2) Uani 1 1 d G U . . .
H123 H 0.318722 0.436038 0.119207 0.104 Uiso 1 1 calc R U . . .
C124 C 0.2470(4) 0.3958(3) 0.1493(3) 0.088(2) Uani 1 1 d G U . . .
C125 C 0.2256(3) 0.3580(3) 0.1780(3) 0.089(2) Uani 1 1 d G U . . .
H125 H 0.186572 0.348162 0.185174 0.107 Uiso 1 1 calc R U . . .
C126 C 0.2615(4) 0.3346(3) 0.1962(3) 0.088(2) Uani 1 1 d G U . . .
H126 H 0.246875 0.308812 0.215751 0.105 Uiso 1 1 calc R U . . .
C133 C 0.3495(3) 0.5953(3) -0.0210(3) 0.094(2) Uani 1 1 d G U . . .
C134 C 0.3825(4) 0.5683(2) -0.0384(3) 0.095(2) Uani 1 1 d G U . . .
H134 H 0.369376 0.530565 -0.039064 0.114 Uiso 1 1 calc R U . . .
C135 C 0.4348(4) 0.5964(3) -0.0548(3) 0.095(2) Uani 1 1 d G U . . .
H135 H 0.457433 0.577932 -0.066679 0.114 Uiso 1 1 calc R U . . .
C136 C 0.4541(3) 0.6516(3) -0.0538(3) 0.096(2) Uani 1 1 d G U . . .
C137 C 0.4210(4) 0.6786(2) -0.0365(3) 0.096(2) Uani 1 1 d G U . . .
H137 H 0.434208 0.716267 -0.035822 0.115 Uiso 1 1 calc R U . . .
C138 C 0.3687(4) 0.6504(3) -0.0201(3) 0.093(2) Uani 1 1 d G U . . .
H138 H 0.346150 0.668901 -0.008207 0.112 Uiso 1 1 calc R U . . .
C150 C 0.3368(5) 0.8809(3) 0.1887(4) 0.147(3) Uani 1 1 d G U . . .
C149 C 0.2869(6) 0.8699(4) 0.1579(4) 0.147(3) Uani 1 1 d G U . . .
H149 H 0.273213 0.897334 0.153962 0.176 Uiso 1 1 calc R U . . .
C148 C 0.2571(5) 0.8187(4) 0.1330(4) 0.142(3) Uani 1 1 d G U . . .
H148 H 0.223002 0.811148 0.111918 0.170 Uiso 1 1 calc R U . . .
C145 C 0.2771(5) 0.7785(3) 0.1388(4) 0.134(3) Uani 1 1 d G U . . .
C146 C 0.3270(5) 0.7896(4) 0.1696(4) 0.142(3) Uani 1 1 d G U . . .
H146 H 0.340661 0.762119 0.173574 0.170 Uiso 1 1 calc R U . . .
C147 C 0.3568(5) 0.8408(4) 0.1946(4) 0.147(3) Uani 1 1 d G U . . .
H147 H 0.390873 0.848306 0.215618 0.177 Uiso 1 1 calc R U . . .
C160 C 0.5723(6) 0.9377(5) 0.0330(4) 0.156(3) Uani 1 1 d G U . . .
C159 C 0.5564(6) 0.9802(5) 0.0264(4) 0.163(3) Uani 1 1 d G U . . .
H159 H 0.547515 0.985970 -0.003575 0.196 Uiso 1 1 calc R U . . .
C158 C 0.5535(6) 1.0142(4) 0.0637(5) 0.161(3) Uani 1 1 d G U . . .
H158 H 0.542704 1.043193 0.059251 0.193 Uiso 1 1 calc R U . . .
C157 C 0.5665(6) 1.0057(4) 0.1076(4) 0.152(3) Uani 1 1 d G U . . .
C162 C 0.5824(6) 0.9632(5) 0.1142(4) 0.156(3) Uani 1 1 d G U . . .
H162 H 0.591287 0.957416 0.144167 0.188 Uiso 1 1 calc R U . . .
C161 C 0.5853(6) 0.9292(4) 0.0769(5) 0.159(3) Uani 1 1 d G U . . .
H161 H 0.596099 0.900192 0.081341 0.190 Uiso 1 1 calc R U . . .
C172 C 0.8639(4) 1.1333(5) 0.3055(5) 0.145(3) Uani 1 1 d G U . . .
C171 C 0.8556(5) 1.1799(4) 0.3191(5) 0.159(3) Uani 1 1 d G U . . .
H171 H 0.888638 1.213277 0.327401 0.190 Uiso 1 1 calc R U . . .
C170 C 0.7989(6) 1.1779(4) 0.3206(5) 0.155(3) Uani 1 1 d G U . . .
H170 H 0.793192 1.209779 0.329940 0.186 Uiso 1 1 calc R U . . .
C169 C 0.7505(4) 1.1291(5) 0.3085(5) 0.148(3) Uani 1 1 d G U . . .
C174 C 0.7588(5) 1.0824(4) 0.2949(4) 0.150(3) Uani 1 1 d G U . . .
H174 H 0.725733 1.049070 0.286582 0.180 Uiso 1 1 calc R U . . .
C173 C 0.8155(6) 1.0845(4) 0.2934(4) 0.150(3) Uani 1 1 d G U . . .
H173 H 0.821177 1.052566 0.284042 0.180 Uiso 1 1 calc R U . . .
C181 C 0.9311(5) 1.0318(5) 0.1049(4) 0.155(3) Uani 1 1 d G U . . .
C186 C 0.9014(6) 0.9762(5) 0.0991(4) 0.160(3) Uani 1 1 d G U . . .
H186 H 0.909803 0.956654 0.121013 0.192 Uiso 1 1 calc R U . . .
C185 C 0.8592(5) 0.9494(4) 0.0613(5) 0.157(3) Uani 1 1 d G U . . .
H185 H 0.838905 0.911412 0.057363 0.189 Uiso 1 1 calc R U . . .
C184 C 0.8469(5) 0.9780(5) 0.0293(4) 0.151(3) Uani 1 1 d G U . . .
C183 C 0.8766(6) 1.0336(5) 0.0351(4) 0.155(3) Uani 1 1 d G U . . .
H183 H 0.868163 1.053172 0.013177 0.186 Uiso 1 1 calc R U . . .
C182 C 0.9187(6) 1.0605(4) 0.0729(5) 0.158(3) Uani 1 1 d G U . . .
H182 H 0.939061 1.098416 0.076827 0.189 Uiso 1 1 calc R U . . .
C187 C 0.7644(5) 0.8964(4) -0.0113(4) 0.129(3) Uani 1 1 d G U . . .
H187 H 0.766686 0.871164 0.007354 0.155 Uiso 1 1 calc R U . . .
N64 N 0.7229(4) 0.8854(4) -0.0506(4) 0.125(2) Uani 1 1 d G U . . .
C189 C 0.7348(5) 0.9340(5) -0.0683(3) 0.139(3) Uani 1 1 d G U . . .
H189 H 0.713711 0.938309 -0.094554 0.167 Uiso 1 1 calc R U . . .
C188 C 0.7836(5) 0.9752(3) -0.0399(4) 0.144(3) Uani 1 1 d G U . . .
H188 H 0.801008 1.011790 -0.043770 0.173 Uiso 1 1 calc R U . . .
N63 N 0.8020(4) 0.9519(5) -0.0046(4) 0.140(3) Uani 1 1 d G U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd 0.1215 3.9337 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 0 1 0.0199
0 0 -1 0.0220
1 0 0 0.0278
-1 0 0 0.0296
0 1 0 0.0271
0 -1 0 0.0313
0 1 -1 0.0161
0 -1 1 0.0224
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
_geom_angle_publ_flag
N1 Pd1 N5 176.5(4) . . ?
N1 Pd1 N9 90.5(4) . . ?
N9 Pd1 N5 91.7(4) . . ?
N13 Pd1 N1 88.8(4) . . ?
N13 Pd1 N5 88.9(4) . . ?
N13 Pd1 N9 179.2(4) . . ?
N4 Pd2 N21 88.9(4) . . ?
N4 Pd2 N25 176.9(4) . . ?
N17 Pd2 N4 91.1(4) . . ?
N17 Pd2 N21 176.6(5) . . ?
N17 Pd2 N25 86.0(4) . . ?
N25 Pd2 N21 93.8(4) . . ?
N28 Pd3 N29 86.8(4) . . ?
N28 Pd3 N37 93.3(4) . . ?
N29 Pd3 N37 179.0(4) . . ?
N33 Pd3 N28 176.1(4) . . ?
N33 Pd3 N29 92.2(4) . . ?
N33 Pd3 N37 87.8(5) . . ?
N20 Pd4 N12 90.0(4) . . ?
N32 Pd4 N12 177.2(3) . . ?
N32 Pd4 N20 91.7(4) . . ?
N41 Pd4 N12 86.6(3) . . ?
N41 Pd4 N20 174.7(4) . . ?
N41 Pd4 N32 91.5(3) . . ?
N8 Pd5 N45 175.4(4) . . ?
N44 Pd5 N8 88.8(4) . . ?
N44 Pd5 N45 89.0(3) . . ?
N49 Pd5 N8 91.0(4) . . ?
N49 Pd5 N44 179.5(4) . . ?
N49 Pd5 N45 91.2(4) . . ?
N16 Pd6 N53 177.9(4) . . ?
N16 Pd6 N57 91.2(5) . . ?
N52 Pd6 N16 88.0(5) . . ?
N52 Pd6 N53 92.2(5) . . ?
N52 Pd6 N57 176.8(5) . . ?
N53 Pd6 N57 88.7(5) . . ?
N40 Pd7 N24 93.3(5) . . ?
N40 Pd7 N60 176.2(5) . . ?
N40 Pd7 N61 90.9(5) . . ?
N60 Pd7 N24 90.5(4) . . ?
N61 Pd7 N24 175.8(5) . . ?
N61 Pd7 N60 85.3(5) . . ?
N36 Pd8 N56 177.1(5) . . ?
N48 Pd8 N36 91.5(4) . . ?
N48 Pd8 N56 89.4(4) . . ?
N64 Pd8 N36 89.3(4) . . ?
N64 Pd8 N48 177.2(5) . . ?
N64 Pd8 N56 89.9(5) . . ?
C2 N1 Pd1 128.9(5) . . ?
C1 N1 Pd1 122.9(5) . . ?
C1 N1 C2 108.0 . . ?
N1 C2 H2 126.0 . . ?
C3 C2 N1 108.0 . . ?
C3 C2 H2 126.0 . . ?
C2 C3 H3 126.0 . . ?
N2 C3 C2 108.0 . . ?
N2 C3 H3 126.0 . . ?
C3 N2 C1 108.0 . . ?
C4 N2 C3 129.0(8) . . ?
C4 N2 C1 122.3(7) . . ?
N1 C1 N2 108.0 . . ?
N1 C1 H1 126.0 . . ?
N2 C1 H1 126.0 . . ?
C10 N4 Pd2 122.8(6) . . ?
C10 N4 C12 108.0 . . ?
C12 N4 Pd2 129.1(6) . . ?
N4 C10 H10 126.0 . . ?
N3 C10 N4 108.0 . . ?
N3 C10 H10 126.0 . . ?
C10 N3 C11 108.0 . . ?
C7 N3 C10 124.0(9) . . ?
C7 N3 C11 127.9(9) . . ?
N3 C11 H11 126.0 . . ?
C12 C11 N3 108.0 . . ?
C12 C11 H11 126.0 . . ?
N4 C12 H12 126.0 . . ?
C11 C12 N4 108.0 . . ?
C11 C12 H12 126.0 . . ?
C13 N5 Pd1 123.6(6) . . ?
C14 N5 Pd1 128.4(6) . . ?
C14 N5 C13 108.0 . . ?
N5 C13 H13 126.0 . . ?
N6 C13 N5 108.0 . . ?
N6 C13 H13 126.0 . . ?
C15 N6 C13 108.0 . . ?
C16 N6 C13 122.7(10) . . ?
C16 N6 C15 129.1(10) . . ?
N6 C15 H15 126.0 . . ?
N6 C15 C14 108.0 . . ?
C14 C15 H15 126.0 . . ?
N5 C14 H14 126.0 . . ?
C15 C14 N5 108.0 . . ?
C15 C14 H14 126.0 . . ?
C22 N7 C23 108.0 . . ?
C19 N7 C22 125.4(10) . . ?
C19 N7 C23 126.0(10) . . ?
N7 C22 H22 126.0 . . ?
N7 C22 N8 108.0 . . ?
N8 C22 H22 126.0 . . ?
C22 N8 Pd5 123.1(6) . . ?
C24 N8 Pd5 128.6(6) . . ?
C24 N8 C22 108.0 . . ?
N8 C24 H24 126.0 . . ?
C23 C24 N8 108.0 . . ?
C23 C24 H24 126.0 . . ?
N7 C23 H23 126.0 . . ?
C24 C23 N7 108.0 . . ?
C24 C23 H23 126.0 . . ?
C26 N9 Pd1 124.7(5) . . ?
C26 N9 C25 108.0 . . ?
C25 N9 Pd1 127.3(5) . . ?
N9 C26 H26 126.0 . . ?
N9 C26 C27 108.0 . . ?
C27 C26 H26 126.0 . . ?
C26 C27 H27 126.0 . . ?
C26 C27 N10 108.0 . . ?
N10 C27 H27 126.0 . . ?
C27 N10 C25 108.0 . . ?
C28 N10 C27 128.4(7) . . ?
C28 N10 C25 123.5(7) . . ?
N9 C25 N10 108.0 . . ?
N9 C25 H25 126.0 . . ?
N10 C25 H25 126.0 . . ?
C34 N12 Pd4 124.3(4) . . ?
C34 N12 C36 108.0 . . ?
C36 N12 Pd4 127.2(4) . . ?
N12 C34 H34 126.0 . . ?
N12 C34 N11 108.0 . . ?
N11 C34 H34 126.0 . . ?
C34 N11 C35 108.0 . . ?
C31 N11 C34 125.2(6) . . ?
C31 N11 C35 126.6(6) . . ?
N11 C35 H35 126.0 . . ?
C36 C35 N11 108.0 . . ?
C36 C35 H35 126.0 . . ?
N12 C36 H36 126.0 . . ?
C35 C36 N12 108.0 . . ?
C35 C36 H36 126.0 . . ?
C37 N14 C39 108.0 . . ?
C40 N14 C39 128.3(8) . . ?
C40 N14 C37 123.7(8) . . ?
N14 C39 H39 126.0 . . ?
C38 C39 N14 108.0 . . ?
C38 C39 H39 126.0 . . ?
C39 C38 H38 126.0 . . ?
C39 C38 N13 108.0 . . ?
N13 C38 H38 126.0 . . ?
C38 N13 Pd1 128.8(5) . . ?
C38 N13 C37 108.0 . . ?
C37 N13 Pd1 123.0(5) . . ?
N14 C37 N13 108.0 . . ?
N14 C37 H37 126.0 . . ?
N13 C37 H37 126.0 . . ?
C48 N16 Pd6 127.3(6) . . ?
C46 N16 Pd6 124.6(6) . . ?
C46 N16 C48 108.0 . . ?
N16 C48 H48 126.0 . . ?
C47 C48 N16 108.0 . . ?
C47 C48 H48 126.0 . . ?
C48 C47 H47 126.0 . . ?
C48 C47 N15 108.0 . . ?
N15 C47 H47 126.0 . . ?
C47 N15 C43 128.8(8) . . ?
C46 N15 C47 108.0 . . ?
C46 N15 C43 123.2(8) . . ?
N16 C46 H46 126.0 . . ?
N15 C46 N16 108.0 . . ?
N15 C46 H46 126.0 . . ?
C51 N18 C49 108.0 . . ?
C52 N18 C49 126.3(9) . . ?
C52 N18 C51 125.6(9) . . ?
N18 C49 H49 126.0 . . ?
N17 C49 N18 108.0 . . ?
N17 C49 H49 126.0 . . ?
C49 N17 Pd2 123.2(6) . . ?
C50 N17 Pd2 128.1(6) . . ?
C50 N17 C49 108.0 . . ?
N17 C50 H50 126.0 . . ?
N17 C50 C51 108.0 . . ?
C51 C50 H50 126.0 . . ?
N18 C51 C50 108.0 . . ?
N18 C51 H51 126.0 . . ?
C50 C51 H51 126.0 . . ?
C60 N20 Pd4 124.3(5) . . ?
C60 N20 C58 108.0 . . ?
C58 N20 Pd4 127.6(5) . . ?
N20 C60 H60 126.0 . . ?
C59 C60 N20 108.0 . . ?
C59 C60 H60 126.0 . . ?
C60 C59 H59 126.0 . . ?
C60 C59 N19 108.0 . . ?
N19 C59 H59 126.0 . . ?
C58 N19 C59 108.0 . . ?
C55 N19 C59 130.6(8) . . ?
C55 N19 C58 121.0(8) . . ?
N20 C58 H58 126.0 . . ?
N19 C58 N20 108.0 . . ?
N19 C58 H58 126.0 . . ?
C73 N21 Pd2 127.0(11) . . ?
C73 N21 C74 108.1(13) . . ?
C74 N21 Pd2 125.0(11) . . ?
C73 N22 C76 122.0(14) . . ?
C75 N22 C73 110.6(15) . . ?
C75 N22 C76 127.1(12) . . ?
C84 N24 Pd7 126.7(6) . . ?
C82 N24 Pd7 125.3(6) . . ?
C82 N24 C84 108.0 . . ?
N24 C84 H84 126.0 . . ?
N24 C84 C83 108.0 . . ?
C83 C84 H84 126.0 . . ?
C84 C83 H83 126.0 . . ?
N23 C83 C84 108.0 . . ?
N23 C83 H83 126.0 . . ?
C83 N23 C82 108.0 . . ?
C79 N23 C83 131.1(8) . . ?
C79 N23 C82 120.9(8) . . ?
N24 C82 N23 108.0 . . ?
N24 C82 H82 126.0 . . ?
N23 C82 H82 126.0 . . ?
C63 N26 C61 108.0 . . ?
C64 N26 C61 123.5(10) . . ?
C64 N26 C63 127.3(10) . . ?
N26 C61 H61 126.0 . . ?
N26 C61 N25 108.0 . . ?
N25 C61 H61 126.0 . . ?
C61 N25 Pd2 119.9(7) . . ?
C62 N25 Pd2 132.1(7) . . ?
C62 N25 C61 108.0 . . ?
N25 C62 H62 126.0 . . ?
C63 C62 N25 108.0 . . ?
C63 C62 H62 126.0 . . ?
N26 C63 H63 126.0 . . ?
C62 C63 N26 108.0 . . ?
C62 C63 H63 126.0 . . ?
C70 N27 C71 108.0 . . ?
C67 N27 C71 129.2(9) . . ?
C67 N27 C70 122.6(9) . . ?
N27 C71 H71 126.0 . . ?
C72 C71 N27 108.0 . . ?
C72 C71 H71 126.0 . . ?
C71 C72 H72 126.0 . . ?
C71 C72 N28 108.0 . . ?
N28 C72 H72 126.0 . . ?
C72 N28 Pd3 130.6(6) . . ?
C72 N28 C70 108.0 . . ?
C70 N28 Pd3 121.4(6) . . ?
N27 C70 N28 108.0 . . ?
N27 C70 H70 126.0 . . ?
N28 C70 H70 126.0 . . ?
C85 N30 C87 108.0 . . ?
C88 N30 C87 129.0(7) . . ?
C88 N30 C85 123.0(7) . . ?
N30 C87 H87 126.0 . . ?
C86 C87 N30 108.0 . . ?
C86 C87 H87 126.0 . . ?
C87 C86 H86 126.0 . . ?
C87 C86 N29 108.0 . . ?
N29 C86 H86 126.0 . . ?
C86 N29 Pd3 130.5(5) . . ?
C85 N29 Pd3 121.5(5) . . ?
C85 N29 C86 108.0 . . ?
N30 C85 N29 108.0 . . ?
N30 C85 H85 126.0 . . ?
N29 C85 H85 126.0 . . ?
C95 N31 C94 108.0 . . ?
C91 N31 C94 121.2(7) . . ?
C91 N31 C95 130.7(7) . . ?
N31 C94 H94 126.0 . . ?
N32 C94 N31 108.0 . . ?
N32 C94 H94 126.0 . . ?
C94 N32 Pd4 121.6(5) . . ?
C96 N32 Pd4 130.4(5) . . ?
C96 N32 C94 108.0 . . ?
N32 C96 H96 126.0 . . ?
N32 C96 C95 108.0 . . ?
C95 C96 H96 126.0 . . ?
N31 C95 C96 108.0 . . ?
N31 C95 H95 126.0 . . ?
C96 C95 H95 126.0 . . ?
C98 N33 Pd3 128.8(6) . . ?
C98 N33 C97 108.0 . . ?
C97 N33 Pd3 122.3(6) . . ?
N33 C98 H98 126.0 . . ?
N33 C98 C99 108.0 . . ?
C99 C98 H98 126.0 . . ?
C98 C99 H99 126.0 . . ?
C98 C99 N34 108.0 . . ?
N34 C99 H99 126.0 . . ?
C97 N34 C99 108.0 . . ?
C100 N34 C99 122.4(10) . . ?
C100 N34 C97 129.6(10) . . ?
N33 C97 H97 126.0 . . ?
N34 C97 N33 108.0 . . ?
N34 C97 H97 126.0 . . ?
C106 N36 Pd8 124.2(7) . . ?
C106 N36 C108 108.0 . . ?
C108 N36 Pd8 126.4(7) . . ?
N36 C106 H106 126.0 . . ?
N36 C106 N35 108.0 . . ?
N35 C106 H106 126.0 . . ?
C106 N35 C107 108.0 . . ?
C103 N35 C106 125.4(9) . . ?
C103 N35 C107 126.5(10) . . ?
N35 C107 H107 126.0 . . ?
C108 C107 N35 108.0 . . ?
C108 C107 H107 126.0 . . ?
N36 C108 H108 126.0 . . ?
C107 C108 N36 108.0 . . ?
C107 C108 H108 126.0 . . ?
C191 N37 Pd3 125.3(6) . . ?
C190 N37 Pd3 124.1(6) . . ?
C190 N37 C191 108.0 . . ?
N37 C191 H191 126.0 . . ?
C192 C191 N37 108.0 . . ?
C192 C191 H191 126.0 . . ?
C191 C192 H192 126.0 . . ?
C191 C192 N38 108.0 . . ?
N38 C192 H192 126.0 . . ?
C190 N38 C192 108.0 . . ?
C109 N38 C192 132.2(10) . . ?
C109 N38 C190 119.0(10) . . ?
N37 C190 N38 108.0 . . ?
N37 C190 H190 126.0 . . ?
N38 C190 H190 126.0 . . ?
C115 N39 C116 108.0 . . ?
C112 N39 C116 124.0(10) . . ?
C112 N39 C115 127.4(10) . . ?
N39 C116 H116 126.0 . . ?
C117 C116 N39 108.0 . . ?
C117 C116 H116 126.0 . . ?
C116 C117 H117 126.0 . . ?
N40 C117 C116 108.0 . . ?
N40 C117 H117 126.0 . . ?
C117 N40 Pd7 126.2(7) . . ?
C117 N40 C115 108.0 . . ?
C115 N40 Pd7 125.7(6) . . ?
N39 C115 N40 108.0 . . ?
N39 C115 H115 126.0 . . ?
N40 C115 H115 126.0 . . ?
C120 N42 C118 108.0 . . ?
C121 N42 C120 127.7(7) . . ?
C121 N42 C118 124.3(7) . . ?
N42 C120 H120 126.0 . . ?
N42 C120 C119 108.0 . . ?
C119 C120 H120 126.0 . . ?
C120 C119 H119 126.0 . . ?
N41 C119 C120 108.0 . . ?
N41 C119 H119 126.0 . . ?
C119 N41 Pd4 127.3(5) . . ?
C118 N41 Pd4 123.4(5) . . ?
C118 N41 C119 108.0 . . ?
N42 C118 H118 126.0 . . ?
N41 C118 N42 108.0 . . ?
N41 C118 H118 126.0 . . ?
C129 N43 C127 108.0 . . ?
C124 N43 C127 125.3(7) . . ?
C124 N43 C129 126.7(7) . . ?
N43 C127 H127 126.0 . . ?
N44 C127 N43 108.0 . . ?
N44 C127 H127 126.0 . . ?
C127 N44 Pd5 120.9(5) . . ?
C127 N44 C128 108.0 . . ?
C128 N44 Pd5 129.7(5) . . ?
N44 C128 H128 126.0 . . ?
C129 C128 N44 108.0 . . ?
C129 C128 H128 126.0 . . ?
N43 C129 H129 126.0 . . ?
C128 C129 N43 108.0 . . ?
C128 C129 H129 126.0 . . ?
C131 N45 Pd5 128.9(5) . . ?
C131 N45 C130 108.0 . . ?
C130 N45 Pd5 121.7(5) . . ?
N45 C131 H131 126.0 . . ?
N45 C131 C132 108.0 . . ?
C132 C131 H131 126.0 . . ?
C131 C132 H132 126.0 . . ?
N46 C132 C131 108.0 . . ?
N46 C132 H132 126.0 . . ?
C130 N46 C132 108.0 . . ?
C133 N46 C132 128.0(7) . . ?
C133 N46 C130 123.9(7) . . ?
N45 C130 H130 126.0 . . ?
N46 C130 N45 108.0 . . ?
N46 C130 H130 126.0 . . ?
C139 N47 C140 108.0 . . ?
C136 N47 C140 132.1(7) . . ?
C136 N47 C139 119.8(7) . . ?
N47 C140 H140 126.0 . . ?
C141 C140 N47 108.0 . . ?
C141 C140 H140 126.0 . . ?
C140 C141 H141 126.0 . . ?
C140 C141 N48 108.0 . . ?
N48 C141 H141 126.0 . . ?
C141 N48 Pd8 128.0(6) . . ?
C139 N48 Pd8 124.0(6) . . ?
C139 N48 C141 108.0 . . ?
N47 C139 N48 108.0 . . ?
N47 C139 H139 126.0 . . ?
N48 C139 H139 126.0 . . ?
C143 N49 Pd5 127.9(6) . . ?
C143 N49 C142 108.0 . . ?
C142 N49 Pd5 123.9(6) . . ?
N49 C143 H143 126.0 . . ?
N49 C143 C144 108.0 . . ?
C144 C143 H143 126.0 . . ?
C143 C144 H144 126.0 . . ?
C143 C144 N50 108.0 . . ?
N50 C144 H144 126.0 . . ?
C142 N50 C144 108.0 . . ?
C145 N50 C144 131.2(9) . . ?
C145 N50 C142 120.3(9) . . ?
N49 C142 N50 108.0 . . ?
N49 C142 H142 126.0 . . ?
N50 C142 H142 126.0 . . ?
C153 N52 Pd6 129.9(6) . . ?
C151 N52 Pd6 122.0(6) . . ?
C151 N52 C153 108.0 . . ?
N52 C153 H153 126.0 . . ?
C152 C153 N52 108.0 . . ?
C152 C153 H153 126.0 . . ?
C153 C152 H152 126.0 . . ?
C153 C152 N51 108.0 . . ?
N51 C152 H152 126.0 . . ?
C151 N51 C152 108.0 . . ?
C150 N51 C152 128.6(10) . . ?
C150 N51 C151 122.8(10) . . ?
N52 C151 N51 108.0 . . ?
N52 C151 H151 126.0 . . ?
N51 C151 H151 126.0 . . ?
C154 N54 C156 108.0 . . ?
C157 N54 C156 130.4(10) . . ?
C157 N54 C154 120.5(10) . . ?
N54 C156 H156 126.0 . . ?
C155 C156 N54 108.0 . . ?
C155 C156 H156 126.0 . . ?
C156 C155 H155 126.0 . . ?
C156 C155 N53 108.0 . . ?
N53 C155 H155 126.0 . . ?
C155 N53 Pd6 129.0(6) . . ?
C154 N53 Pd6 122.6(6) . . ?
C154 N53 C155 108.0 . . ?
N54 C154 H154 126.0 . . ?
N53 C154 N54 108.0 . . ?
N53 C154 H154 126.0 . . ?
C165 N56 Pd8 135.6(7) . . ?
C163 N56 Pd8 116.4(7) . . ?
C163 N56 C165 108.0 . . ?
N56 C165 H165 126.0 . . ?
N56 C165 C164 108.0 . . ?
C164 C165 H165 126.0 . . ?
C165 C164 H164 126.0 . . ?
N55 C164 C165 108.0 . . ?
N55 C164 H164 126.0 . . ?
C163 N55 C164 108.0 . . ?
C160 N55 C164 130.2(11) . . ?
C160 N55 C163 121.7(11) . . ?
N56 C163 H163 126.0 . . ?
N55 C163 N56 108.0 . . ?
N55 C163 H163 126.0 . . ?
C168 N58 C166 108.0 . . ?
C169 N58 C168 136.5(10) . . ?
C169 N58 C166 115.5(10) . . ?
N58 C168 H168 126.0 . . ?
N58 C168 C167 108.0 . . ?
C167 C168 H168 126.0 . . ?
C168 C167 H167 126.0 . . ?
C168 C167 N57 108.0 . . ?
N57 C167 H167 126.0 . . ?
C167 N57 Pd6 127.4(6) . . ?
C166 N57 Pd6 124.6(6) . . ?
C166 N57 C167 108.0 . . ?
N58 C166 H166 126.0 . . ?
N57 C166 N58 108.0 . . ?
N57 C166 H166 126.0 . . ?
C177 N60 Pd7 127.1(6) . . ?
C175 N60 Pd7 124.5(6) . . ?
C175 N60 C177 108.0 . . ?
N60 C177 H177 126.0 . . ?
N60 C177 C176 108.0 . . ?
C176 C177 H177 126.0 . . ?
C177 C176 H176 126.0 . . ?
N59 C176 C177 108.0 . . ?
N59 C176 H176 126.0 . . ?
C175 N59 C176 108.0 . . ?
C172 N59 C176 131.8(10) . . ?
C172 N59 C175 120.2(10) . . ?
N60 C175 N59 108.0 . . ?
N60 C175 H175 126.0 . . ?
N59 C175 H175 126.0 . . ?
C178 N62 C179 108.0 . . ?
C181 N62 C179 130.5(11) . . ?
C181 N62 C178 121.5(11) . . ?
N62 C179 H179 126.0 . . ?
C180 C179 N62 108.0 . . ?
C180 C179 H179 126.0 . . ?
C179 C180 H180 126.0 . . ?
C179 C180 N61 108.0 . . ?
N61 C180 H180 126.0 . . ?
C180 N61 Pd7 124.8(7) . . ?
C178 N61 Pd7 127.0(7) . . ?
C178 N61 C180 108.0 . . ?
N62 C178 H178 126.0 . . ?
N61 C178 N62 108.0 . . ?
N61 C178 H178 126.0 . . ?
N3 C7 C6 120.7(8) . . ?
N3 C7 C8 118.4(8) . . ?
C6 C7 C8 120.0 . . ?
C7 C6 H6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C5 H5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C4 C5 H5 120.0 . . ?
N2 C4 C5 118.4(8) . . ?
N2 C4 C9 121.4(8) . . ?
C9 C4 C5 120.0 . . ?
C4 C9 H9 120.0 . . ?
C4 C9 C8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 C7 120.0 . . ?
C9 C8 H8 120.0 . . ?
N7 C19 C20 123.9(11) . . ?
N7 C19 C18 115.6(11) . . ?
C20 C19 C18 120.0 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 120.0 . . ?
C20 C21 C16 120.0 . . ?
C16 C21 H21 120.0 . . ?
C21 C16 N6 119.2(10) . . ?
C21 C16 C17 120.0 . . ?
C17 C16 N6 120.7(10) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.0 . . ?
C18 C17 H17 120.0 . . ?
C19 C18 H18 120.0 . . ?
C17 C18 C19 120.0 . . ?
C17 C18 H18 120.0 . . ?
N11 C31 C32 118.8(6) . . ?
N11 C31 C30 121.2(6) . . ?
C32 C31 C30 120.0 . . ?
C31 C32 H32 120.0 . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C32 C33 H33 120.0 . . ?
C28 C33 C32 120.0 . . ?
C28 C33 H33 120.0 . . ?
N10 C28 C33 120.9(7) . . ?
N10 C28 C29 119.1(7) . . ?
C33 C28 C29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C31 C30 H30 120.0 . . ?
C29 C30 C31 120.0 . . ?
C29 C30 H30 120.0 . . ?
C42 C43 N15 118.1(9) . . ?
C42 C43 C44 120.0 . . ?
C44 C43 N15 121.4(9) . . ?
C43 C42 H42 120.0 . . ?
C43 C42 C41 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C41 H41 120.0 . . ?
C42 C41 C40 120.0 . . ?
C40 C41 H41 120.0 . . ?
N14 C40 C41 120.4(9) . . ?
N14 C40 C45 118.6(9) . . ?
C45 C40 C41 120.0 . . ?
C40 C45 H45 120.0 . . ?
C40 C45 C44 120.0 . . ?
C44 C45 H45 120.0 . . ?
C43 C44 H44 120.0 . . ?
C45 C44 C43 120.0 . . ?
C45 C44 H44 120.0 . . ?
N18 C52 C53 118.5(8) . . ?
N18 C52 C57 121.4(8) . . ?
C53 C52 C57 120.0 . . ?
C52 C53 H53 120.0 . . ?
C54 C53 C52 120.0 . . ?
C54 C53 H53 120.0 . . ?
C53 C54 H54 120.0 . . ?
C53 C54 C55 120.0 . . ?
C55 C54 H54 120.0 . . ?
C54 C55 N19 121.8(8) . . ?
C54 C55 C56 120.0 . . ?
C56 C55 N19 118.0(8) . . ?
C55 C56 H56 120.0 . . ?
C57 C56 C55 120.0 . . ?
C57 C56 H56 120.0 . . ?
C52 C57 H57 120.0 . . ?
C56 C57 C52 120.0 . . ?
C56 C57 H57 120.0 . . ?
N26 C64 C69 125.1(11) . . ?
N26 C64 C65 114.9(11) . . ?
C69 C64 C65 120.0 . . ?
C64 C69 H69 120.0 . . ?
C64 C69 C68 120.0 . . ?
C68 C69 H69 120.0 . . ?
C69 C68 H68 120.0 . . ?
C67 C68 C69 120.0 . . ?
C67 C68 H68 120.0 . . ?
N27 C67 C68 118.0(10) . . ?
N27 C67 C66 122.0(10) . . ?
C66 C67 C68 120.0 . . ?
C67 C66 H66 120.0 . . ?
C67 C66 C65 120.0 . . ?
C65 C66 H66 120.0 . . ?
C64 C65 H65 120.0 . . ?
C66 C65 C64 120.0 . . ?
C66 C65 H65 120.0 . . ?
N21 C73 N22 109.3(15) . . ?
C75 C74 N21 104.5(15) . . ?
N22 C75 C74 106.8(14) . . ?
N22 C75 H75 126.6 . . ?
C74 C75 H75 126.6 . . ?
N23 C79 C80 122.5(9) . . ?
N23 C79 C78 117.4(9) . . ?
C80 C79 C78 120.0 . . ?
C79 C80 H80 120.0 . . ?
C81 C80 C79 120.0 . . ?
C81 C80 H80 120.0 . . ?
C80 C81 H81 120.0 . . ?
C80 C81 C76 120.0 . . ?
C76 C81 H81 120.0 . . ?
C81 C76 N22 120.3(9) . . ?
C81 C76 C77 120.0 . . ?
C77 C76 N22 119.7(9) . . ?
C76 C77 H77 120.0 . . ?
C78 C77 C76 120.0 . . ?
C78 C77 H77 120.0 . . ?
C79 C78 H78 120.0 . . ?
C77 C78 C79 120.0 . . ?
C77 C78 H78 120.0 . . ?
N30 C88 C93 119.7(7) . . ?
N30 C88 C89 120.2(7) . . ?
C93 C88 C89 120.0 . . ?
C88 C93 H93 120.0 . . ?
C88 C93 C92 120.0 . . ?
C92 C93 H93 120.0 . . ?
C93 C92 H92 120.0 . . ?
C93 C92 C91 120.0 . . ?
C91 C92 H92 120.0 . . ?
N31 C91 C92 119.6(7) . . ?
N31 C91 C90 120.3(7) . . ?
C90 C91 C92 120.0 . . ?
C91 C90 H90 120.0 . . ?
C91 C90 C89 120.0 . . ?
C89 C90 H90 120.0 . . ?
C88 C89 H89 120.0 . . ?
C90 C89 C88 120.0 . . ?
C90 C89 H89 120.0 . . ?
N34 C100 C101 121.4(10) . . ?
N34 C100 C105 118.0(10) . . ?
C101 C100 C105 120.0 . . ?
C100 C101 H101 120.0 . . ?
C100 C101 C102 120.0 . . ?
C102 C101 H101 120.0 . . ?
C101 C102 H102 120.0 . . ?
C103 C102 C101 120.0 . . ?
C103 C102 H102 120.0 . . ?
N35 C103 C102 118.2(10) . . ?
N35 C103 C104 121.7(10) . . ?
C102 C103 C104 120.0 . . ?
C103 C104 H104 120.0 . . ?
C103 C104 C105 120.0 . . ?
C105 C104 H104 120.0 . . ?
C100 C105 H105 120.0 . . ?
C104 C105 C100 120.0 . . ?
C104 C105 H105 120.0 . . ?
C111 C110 H110 120.0 . . ?
C111 C110 C109 120.0 . . ?
C109 C110 H110 120.0 . . ?
C110 C111 H111 120.0 . . ?
C110 C111 C112 120.0 . . ?
C112 C111 H111 120.0 . . ?
N39 C112 C111 118.4(11) . . ?
N39 C112 C113 120.6(11) . . ?
C111 C112 C113 120.0 . . ?
C112 C113 H113 120.0 . . ?
C114 C113 C112 120.0 . . ?
C114 C113 H113 120.0 . . ?
C113 C114 H114 120.0 . . ?
C113 C114 C109 120.0 . . ?
C109 C114 H114 120.0 . . ?
N38 C109 C110 115.5(11) . . ?
N38 C109 C114 124.4(11) . . ?
C114 C109 C110 120.0 . . ?
N42 C121 C122 122.8(7) . . ?
N42 C121 C126 117.2(7) . . ?
C122 C121 C126 120.0 . . ?
C121 C122 H122 120.0 . . ?
C121 C122 C123 120.0 . . ?
C123 C122 H122 120.0 . . ?
C122 C123 H123 120.0 . . ?
C124 C123 C122 120.0 . . ?
C124 C123 H123 120.0 . . ?
N43 C124 C123 119.9(7) . . ?
N43 C124 C125 119.7(7) . . ?
C123 C124 C125 120.0 . . ?
C124 C125 H125 120.0 . . ?
C126 C125 C124 120.0 . . ?
C126 C125 H125 120.0 . . ?
C121 C126 H126 120.0 . . ?
C125 C126 C121 120.0 . . ?
C125 C126 H126 120.0 . . ?
N46 C133 C134 119.6(7) . . ?
N46 C133 C138 120.1(7) . . ?
C134 C133 C138 120.0 . . ?
C133 C134 H134 120.0 . . ?
C133 C134 C135 120.0 . . ?
C135 C134 H134 120.0 . . ?
C134 C135 H135 120.0 . . ?
C134 C135 C136 120.0 . . ?
C136 C135 H135 120.0 . . ?
C135 C136 N47 117.2(7) . . ?
C137 C136 N47 122.7(7) . . ?
C137 C136 C135 120.0 . . ?
C136 C137 H137 120.0 . . ?
C136 C137 C138 120.0 . . ?
C138 C137 H137 120.0 . . ?
C133 C138 H138 120.0 . . ?
C137 C138 C133 120.0 . . ?
C137 C138 H138 120.0 . . ?
N51 C150 C149 119.2(10) . . ?
N51 C150 C147 120.7(10) . . ?
C149 C150 C147 120.0 . . ?
C150 C149 H149 120.0 . . ?
C148 C149 C150 120.0 . . ?
C148 C149 H149 120.0 . . ?
C149 C148 H148 120.0 . . ?
C145 C148 C149 120.0 . . ?
C145 C148 H148 120.0 . . ?
C148 C145 N50 116.6(9) . . ?
C148 C145 C146 120.0 . . ?
C146 C145 N50 123.1(9) . . ?
C145 C146 H146 120.0 . . ?
C147 C146 C145 120.0 . . ?
C147 C146 H146 120.0 . . ?
C150 C147 H147 120.0 . . ?
C146 C147 C150 120.0 . . ?
C146 C147 H147 120.0 . . ?
N55 C160 C159 117.3(12) . . ?
N55 C160 C161 122.6(12) . . ?
C159 C160 C161 120.0 . . ?
C160 C159 H159 120.0 . . ?
C158 C159 C160 120.0 . . ?
C158 C159 H159 120.0 . . ?
C159 C158 H158 120.0 . . ?
C157 C158 C159 120.0 . . ?
C157 C158 H158 120.0 . . ?
N54 C157 C158 114.3(12) . . ?
N54 C157 C162 125.0(12) . . ?
C162 C157 C158 120.0 . . ?
C157 C162 H162 120.0 . . ?
C157 C162 C161 120.0 . . ?
C161 C162 H162 120.0 . . ?
C160 C161 H161 120.0 . . ?
C162 C161 C160 120.0 . . ?
C162 C161 H161 120.0 . . ?
N59 C172 C171 114.1(10) . . ?
N59 C172 C173 125.5(10) . . ?
C171 C172 C173 120.0 . . ?
C172 C171 H171 120.0 . . ?
C170 C171 C172 120.0 . . ?
C170 C171 H171 120.0 . . ?
C171 C170 H170 120.0 . . ?
C169 C170 C171 120.0 . . ?
C169 C170 H170 120.0 . . ?
N58 C169 C170 113.5(11) . . ?
N58 C169 C174 126.2(10) . . ?
C170 C169 C174 120.0 . . ?
C169 C174 H174 120.0 . . ?
C173 C174 C169 120.0 . . ?
C173 C174 H174 120.0 . . ?
C172 C173 H173 120.0 . . ?
C174 C173 C172 120.0 . . ?
C174 C173 H173 120.0 . . ?
N62 C181 C186 122.0(11) . . ?
N62 C181 C182 118.0(11) . . ?
C186 C181 C182 120.0 . . ?
C181 C186 H186 120.0 . . ?
C185 C186 C181 120.0 . . ?
C185 C186 H186 120.0 . . ?
C186 C185 H185 120.0 . . ?
C184 C185 C186 120.0 . . ?
C184 C185 H185 120.0 . . ?
C185 C184 C183 120.0 . . ?
N63 C184 C185 118.9(12) . . ?
N63 C184 C183 120.7(12) . . ?
C184 C183 H183 120.0 . . ?
C184 C183 C182 120.0 . . ?
C182 C183 H183 120.0 . . ?
C181 C182 H182 120.0 . . ?
C183 C182 C181 120.0 . . ?
C183 C182 H182 120.0 . . ?
N64 C187 H187 126.0 . . ?
N63 C187 H187 126.0 . . ?
N63 C187 N64 108.0 . . ?
C187 N64 Pd8 120.4(8) . . ?
C189 N64 Pd8 131.0(8) . . ?
C189 N64 C187 108.0 . . ?
N64 C189 H189 126.0 . . ?
N64 C189 C188 108.0 . . ?
C188 C189 H189 126.0 . . ?
C189 C188 H188 126.0 . . ?
C189 C188 N63 108.0 . . ?
N63 C188 H188 126.0 . . ?
C184 N63 C187 126.0(12) . . ?
C184 N63 C188 126.0(12) . . ?
C187 N63 C188 108.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 N1 1.945(7) . ?
Pd1 N5 1.953(8) . ?
Pd1 N9 1.946(5) . ?
Pd1 N13 1.938(6) . ?
Pd2 N4 1.960(6) . ?
Pd2 N17 1.957(6) . ?
Pd2 N21 1.994(12) . ?
Pd2 N25 1.971(8) . ?
Pd3 N28 1.936(8) . ?
Pd3 N29 1.943(6) . ?
Pd3 N33 1.899(8) . ?
Pd3 N37 1.984(8) . ?
Pd4 N12 1.957(5) . ?
Pd4 N20 1.950(7) . ?
Pd4 N32 1.943(6) . ?
Pd4 N41 1.943(7) . ?
Pd5 N8 1.954(7) . ?
Pd5 N44 1.954(6) . ?
Pd5 N45 1.960(6) . ?
Pd5 N49 1.944(6) . ?
Pd6 N16 1.921(8) . ?
Pd6 N52 1.889(9) . ?
Pd6 N53 1.995(9) . ?
Pd6 N57 1.998(9) . ?
Pd7 N24 1.968(8) . ?
Pd7 N40 1.895(8) . ?
Pd7 N60 1.960(7) . ?
Pd7 N61 1.888(9) . ?
Pd8 N36 1.952(8) . ?
Pd8 N48 1.928(7) . ?
Pd8 N56 1.993(9) . ?
Pd8 N64 1.924(8) . ?
N1 C2 1.4200 . ?
N1 C1 1.4200 . ?
C2 H2 0.9500 . ?
C2 C3 1.4200 . ?
C3 H3 0.9500 . ?
C3 N2 1.4200 . ?
N2 C1 1.4200 . ?
N2 C4 1.390(9) . ?
C1 H1 0.9500 . ?
N4 C10 1.4200 . ?
N4 C12 1.4200 . ?
C10 H10 0.9500 . ?
C10 N3 1.4200 . ?
N3 C11 1.4200 . ?
N3 C7 1.340(10) . ?
C11 H11 0.9500 . ?
C11 C12 1.4200 . ?
C12 H12 0.9500 . ?
N5 C13 1.4200 . ?
N5 C14 1.4200 . ?
C13 H13 0.9500 . ?
C13 N6 1.4200 . ?
N6 C15 1.4200 . ?
N6 C16 1.403(10) . ?
C15 H15 0.9500 . ?
C15 C14 1.4200 . ?
C14 H14 0.9500 . ?
N7 C22 1.4200 . ?
N7 C23 1.4200 . ?
N7 C19 1.307(10) . ?
C22 H22 0.9500 . ?
C22 N8 1.4200 . ?
N8 C24 1.4200 . ?
C24 H24 0.9500 . ?
C24 C23 1.4200 . ?
C23 H23 0.9500 . ?
N9 C26 1.4200 . ?
N9 C25 1.4200 . ?
C26 H26 0.9500 . ?
C26 C27 1.4200 . ?
C27 H27 0.9500 . ?
C27 N10 1.4200 . ?
N10 C25 1.4200 . ?
N10 C28 1.327(7) . ?
C25 H25 0.9500 . ?
N12 C34 1.4200 . ?
N12 C36 1.4200 . ?
C34 H34 0.9500 . ?
C34 N11 1.4200 . ?
N11 C35 1.4200 . ?
N11 C31 1.356(7) . ?
C35 H35 0.9500 . ?
C35 C36 1.4200 . ?
C36 H36 0.9500 . ?
N14 C39 1.4200 . ?
N14 C37 1.4200 . ?
N14 C40 1.299(10) . ?
C39 H39 0.9500 . ?
C39 C38 1.4200 . ?
C38 H38 0.9500 . ?
C38 N13 1.4200 . ?
N13 C37 1.4200 . ?
C37 H37 0.9500 . ?
N16 C48 1.4200 . ?
N16 C46 1.4200 . ?
C48 H48 0.9500 . ?
C48 C47 1.4200 . ?
C47 H47 0.9500 . ?
C47 N15 1.4200 . ?
N15 C46 1.4200 . ?
N15 C43 1.434(10) . ?
C46 H46 0.9500 . ?
N18 C49 1.4200 . ?
N18 C51 1.4200 . ?
N18 C52 1.332(9) . ?
C49 H49 0.9500 . ?
C49 N17 1.4200 . ?
N17 C50 1.4200 . ?
C50 H50 0.9500 . ?
C50 C51 1.4200 . ?
C51 H51 0.9500 . ?
N20 C60 1.4200 . ?
N20 C58 1.4200 . ?
C60 H60 0.9500 . ?
C60 C59 1.4200 . ?
C59 H59 0.9500 . ?
C59 N19 1.4200 . ?
N19 C58 1.4200 . ?
N19 C55 1.403(8) . ?
C58 H58 0.9500 . ?
N21 C73 1.287(18) . ?
N21 C74 1.438(17) . ?
N22 C73 1.345(16) . ?
N22 C75 1.319(17) . ?
N22 C76 1.475(15) . ?
N24 C84 1.4200 . ?
N24 C82 1.4200 . ?
C84 H84 0.9500 . ?
C84 C83 1.4200 . ?
C83 H83 0.9500 . ?
C83 N23 1.4200 . ?
N23 C82 1.4200 . ?
N23 C79 1.325(10) . ?
C82 H82 0.9500 . ?
N26 C61 1.4200 . ?
N26 C63 1.4200 . ?
N26 C64 1.355(10) . ?
C61 H61 0.9500 . ?
C61 N25 1.4200 . ?
N25 C62 1.4200 . ?
C62 H62 0.9500 . ?
C62 C63 1.4200 . ?
C63 H63 0.9500 . ?
N27 C71 1.4200 . ?
N27 C70 1.4200 . ?
N27 C67 1.348(10) . ?
C71 H71 0.9500 . ?
C71 C72 1.4200 . ?
C72 H72 0.9500 . ?
C72 N28 1.4200 . ?
N28 C70 1.4200 . ?
C70 H70 0.9500 . ?
N30 C87 1.4200 . ?
N30 C85 1.4200 . ?
N30 C88 1.362(8) . ?
C87 H87 0.9500 . ?
C87 C86 1.4200 . ?
C86 H86 0.9500 . ?
C86 N29 1.4200 . ?
N29 C85 1.4200 . ?
C85 H85 0.9500 . ?
N31 C94 1.4200 . ?
N31 C95 1.4200 . ?
N31 C91 1.357(8) . ?
C94 H94 0.9500 . ?
C94 N32 1.4200 . ?
N32 C96 1.4200 . ?
C96 H96 0.9500 . ?
C96 C95 1.4200 . ?
C95 H95 0.9500 . ?
N33 C98 1.4200 . ?
N33 C97 1.4200 . ?
C98 H98 0.9500 . ?
C98 C99 1.4200 . ?
C99 H99 0.9500 . ?
C99 N34 1.4200 . ?
N34 C97 1.4200 . ?
N34 C100 1.347(11) . ?
C97 H97 0.9500 . ?
N36 C106 1.4200 . ?
N36 C108 1.4200 . ?
C106 H106 0.9500 . ?
C106 N35 1.4200 . ?
N35 C107 1.4200 . ?
N35 C103 1.390(11) . ?
C107 H107 0.9500 . ?
C107 C108 1.4200 . ?
C108 H108 0.9500 . ?
N37 C191 1.4200 . ?
N37 C190 1.4200 . ?
C191 H191 0.9500 . ?
C191 C192 1.4200 . ?
C192 H192 0.9500 . ?
C192 N38 1.4200 . ?
N38 C190 1.4200 . ?
N38 C109 1.369(10) . ?
C190 H190 0.9500 . ?
N39 C116 1.4200 . ?
N39 C115 1.4200 . ?
N39 C112 1.375(10) . ?
C116 H116 0.9500 . ?
C116 C117 1.4200 . ?
C117 H117 0.9500 . ?
C117 N40 1.4200 . ?
N40 C115 1.4200 . ?
C115 H115 0.9500 . ?
N42 C120 1.4200 . ?
N42 C118 1.4200 . ?
N42 C121 1.354(8) . ?
C120 H120 0.9500 . ?
C120 C119 1.4200 . ?
C119 H119 0.9500 . ?
C119 N41 1.4200 . ?
N41 C118 1.4200 . ?
C118 H118 0.9500 . ?
N43 C127 1.4200 . ?
N43 C129 1.4200 . ?
N43 C124 1.368(8) . ?
C127 H127 0.9500 . ?
C127 N44 1.4200 . ?
N44 C128 1.4200 . ?
C128 H128 0.9500 . ?
C128 C129 1.4200 . ?
C129 H129 0.9500 . ?
N45 C131 1.4200 . ?
N45 C130 1.4200 . ?
C131 H131 0.9500 . ?
C131 C132 1.4200 . ?
C132 H132 0.9500 . ?
C132 N46 1.4200 . ?
N46 C130 1.4200 . ?
N46 C133 1.334(9) . ?
C130 H130 0.9500 . ?
N47 C140 1.4200 . ?
N47 C139 1.4200 . ?
N47 C136 1.414(9) . ?
C140 H140 0.9500 . ?
C140 C141 1.4200 . ?
C141 H141 0.9500 . ?
C141 N48 1.4200 . ?
N48 C139 1.4200 . ?
C139 H139 0.9500 . ?
N49 C143 1.4200 . ?
N49 C142 1.4200 . ?
C143 H143 0.9500 . ?
C143 C144 1.4200 . ?
C144 H144 0.9500 . ?
C144 N50 1.4200 . ?
N50 C142 1.4200 . ?
N50 C145 1.393(10) . ?
C142 H142 0.9500 . ?
N52 C153 1.4200 . ?
N52 C151 1.4200 . ?
C153 H153 0.9500 . ?
C153 C152 1.4200 . ?
C152 H152 0.9500 . ?
C152 N51 1.4200 . ?
N51 C151 1.4200 . ?
N51 C150 1.325(10) . ?
C151 H151 0.9500 . ?
N54 C156 1.4200 . ?
N54 C154 1.4200 . ?
N54 C157 1.312(10) . ?
C156 H156 0.9500 . ?
C156 C155 1.4200 . ?
C155 H155 0.9500 . ?
C155 N53 1.4200 . ?
N53 C154 1.4200 . ?
C154 H154 0.9500 . ?
N56 C165 1.4200 . ?
N56 C163 1.4200 . ?
C165 H165 0.9500 . ?
C165 C164 1.4200 . ?
C164 H164 0.9500 . ?
C164 N55 1.4200 . ?
N55 C163 1.4200 . ?
N55 C160 1.370(11) . ?
C163 H163 0.9500 . ?
N58 C168 1.4200 . ?
N58 C166 1.4200 . ?
N58 C169 1.286(11) . ?
C168 H168 0.9500 . ?
C168 C167 1.4200 . ?
C167 H167 0.9500 . ?
C167 N57 1.4200 . ?
N57 C166 1.4200 . ?
C166 H166 0.9500 . ?
N60 C177 1.4200 . ?
N60 C175 1.4200 . ?
C177 H177 0.9500 . ?
C177 C176 1.4200 . ?
C176 H176 0.9500 . ?
C176 N59 1.4200 . ?
N59 C175 1.4200 . ?
N59 C172 1.368(11) . ?
C175 H175 0.9500 . ?
N62 C179 1.4200 . ?
N62 C178 1.4200 . ?
N62 C181 1.387(11) . ?
C179 H179 0.9500 . ?
C179 C180 1.4200 . ?
C180 H180 0.9500 . ?
C180 N61 1.4200 . ?
N61 C178 1.4200 . ?
C178 H178 0.9500 . ?
C7 C6 1.3900 . ?
C7 C8 1.3900 . ?
C6 H6 0.9500 . ?
C6 C5 1.3900 . ?
C5 H5 0.9500 . ?
C5 C4 1.3900 . ?
C4 C9 1.3900 . ?
C9 H9 0.9500 . ?
C9 C8 1.3900 . ?
C8 H8 0.9500 . ?
C19 C20 1.3900 . ?
C19 C18 1.3900 . ?
C20 H20 0.9500 . ?
C20 C21 1.3900 . ?
C21 H21 0.9500 . ?
C21 C16 1.3900 . ?
C16 C17 1.3900 . ?
C17 H17 0.9500 . ?
C17 C18 1.3900 . ?
C18 H18 0.9500 . ?
C31 C32 1.3900 . ?
C31 C30 1.3900 . ?
C32 H32 0.9500 . ?
C32 C33 1.3900 . ?
C33 H33 0.9500 . ?
C33 C28 1.3900 . ?
C28 C29 1.3900 . ?
C29 H29 0.9500 . ?
C29 C30 1.3900 . ?
C30 H30 0.9500 . ?
C43 C42 1.3900 . ?
C43 C44 1.3900 . ?
C42 H42 0.9500 . ?
C42 C41 1.3900 . ?
C41 H41 0.9500 . ?
C41 C40 1.3900 . ?
C40 C45 1.3900 . ?
C45 H45 0.9500 . ?
C45 C44 1.3900 . ?
C44 H44 0.9500 . ?
C52 C53 1.3900 . ?
C52 C57 1.3900 . ?
C53 H53 0.9500 . ?
C53 C54 1.3900 . ?
C54 H54 0.9500 . ?
C54 C55 1.3900 . ?
C55 C56 1.3900 . ?
C56 H56 0.9500 . ?
C56 C57 1.3900 . ?
C57 H57 0.9500 . ?
C64 C69 1.3900 . ?
C64 C65 1.3900 . ?
C69 H69 0.9500 . ?
C69 C68 1.3900 . ?
C68 H68 0.9500 . ?
C68 C67 1.3900 . ?
C67 C66 1.3900 . ?
C66 H66 0.9500 . ?
C66 C65 1.3900 . ?
C65 H65 0.9500 . ?
C74 C75 1.40(2) . ?
C75 H75 0.9500 . ?
C79 C80 1.3900 . ?
C79 C78 1.3900 . ?
C80 H80 0.9500 . ?
C80 C81 1.3900 . ?
C81 H81 0.9500 . ?
C81 C76 1.3900 . ?
C76 C77 1.3900 . ?
C77 H77 0.9500 . ?
C77 C78 1.3900 . ?
C78 H78 0.9500 . ?
C88 C93 1.3900 . ?
C88 C89 1.3900 . ?
C93 H93 0.9500 . ?
C93 C92 1.3900 . ?
C92 H92 0.9500 . ?
C92 C91 1.3900 . ?
C91 C90 1.3900 . ?
C90 H90 0.9500 . ?
C90 C89 1.3900 . ?
C89 H89 0.9500 . ?
C100 C101 1.3900 . ?
C100 C105 1.3900 . ?
C101 H101 0.9500 . ?
C101 C102 1.3900 . ?
C102 H102 0.9500 . ?
C102 C103 1.3900 . ?
C103 C104 1.3900 . ?
C104 H104 0.9500 . ?
C104 C105 1.3900 . ?
C105 H105 0.9500 . ?
C110 H110 0.9500 . ?
C110 C111 1.3900 . ?
C110 C109 1.3900 . ?
C111 H111 0.9500 . ?
C111 C112 1.3900 . ?
C112 C113 1.3900 . ?
C113 H113 0.9500 . ?
C113 C114 1.3900 . ?
C114 H114 0.9500 . ?
C114 C109 1.3900 . ?
C121 C122 1.3900 . ?
C121 C126 1.3900 . ?
C122 H122 0.9500 . ?
C122 C123 1.3900 . ?
C123 H123 0.9500 . ?
C123 C124 1.3900 . ?
C124 C125 1.3900 . ?
C125 H125 0.9500 . ?
C125 C126 1.3900 . ?
C126 H126 0.9500 . ?
C133 C134 1.3900 . ?
C133 C138 1.3900 . ?
C134 H134 0.9500 . ?
C134 C135 1.3900 . ?
C135 H135 0.9500 . ?
C135 C136 1.3900 . ?
C136 C137 1.3900 . ?
C137 H137 0.9500 . ?
C137 C138 1.3900 . ?
C138 H138 0.9500 . ?
C150 C149 1.3900 . ?
C150 C147 1.3900 . ?
C149 H149 0.9500 . ?
C149 C148 1.3900 . ?
C148 H148 0.9500 . ?
C148 C145 1.3900 . ?
C145 C146 1.3900 . ?
C146 H146 0.9500 . ?
C146 C147 1.3900 . ?
C147 H147 0.9500 . ?
C160 C159 1.3900 . ?
C160 C161 1.3900 . ?
C159 H159 0.9500 . ?
C159 C158 1.3900 . ?
C158 H158 0.9500 . ?
C158 C157 1.3900 . ?
C157 C162 1.3900 . ?
C162 H162 0.9500 . ?
C162 C161 1.3900 . ?
C161 H161 0.9500 . ?
C172 C171 1.3900 . ?
C172 C173 1.3900 . ?
C171 H171 0.9500 . ?
C171 C170 1.3900 . ?
C170 H170 0.9500 . ?
C170 C169 1.3900 . ?
C169 C174 1.3900 . ?
C174 H174 0.9500 . ?
C174 C173 1.3900 . ?
C173 H173 0.9500 . ?
C181 C186 1.3900 . ?
C181 C182 1.3900 . ?
C186 H186 0.9500 . ?
C186 C185 1.3900 . ?
C185 H185 0.9500 . ?
C185 C184 1.3900 . ?
C184 C183 1.3900 . ?
C184 N63 1.347(11) . ?
C183 H183 0.9500 . ?
C183 C182 1.3900 . ?
C182 H182 0.9500 . ?
C187 H187 0.9500 . ?
C187 N64 1.4200 . ?
C187 N63 1.4200 . ?
N64 C189 1.4200 . ?
C189 H189 0.9500 . ?
C189 C188 1.4200 . ?
C188 H188 0.9500 . ?
C188 N63 1.4200 . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pd1 N1 C2 C3 -174.8(7) . . . . ?
Pd1 N1 C1 N2 175.2(7) . . . . ?
Pd1 N5 C13 N6 -178.9(7) . . . . ?
Pd1 N5 C14 C15 178.9(8) . . . . ?
Pd1 N9 C26 C27 179.7(7) . . . . ?
Pd1 N9 C25 N10 -179.7(7) . . . . ?
Pd1 N13 C37 N14 176.2(8) . . . . ?
Pd2 N4 C10 N3 176.6(6) . . . . ?
Pd2 N4 C12 C11 -176.4(7) . . . . ?
Pd2 N17 C50 C51 -170.1(8) . . . . ?
Pd2 N21 C73 N22 -175.8(9) . . . . ?
Pd2 N21 C74 C75 -178.9(10) . . . . ?
Pd2 N25 C62 C63 -179.2(9) . . . . ?
Pd3 N28 C70 N27 179.5(7) . . . . ?
Pd3 N29 C85 N30 -178.8(8) . . . . ?
Pd3 N33 C98 C99 -169.4(8) . . . . ?
Pd3 N33 C97 N34 170.2(7) . . . . ?
Pd3 N37 C191 C192 -162.3(9) . . . . ?
Pd3 N37 C190 N38 162.6(9) . . . . ?
Pd4 N12 C34 N11 172.2(7) . . . . ?
Pd4 N12 C36 C35 -171.9(7) . . . . ?
Pd4 N20 C60 C59 -176.5(7) . . . . ?
Pd4 N20 C58 N19 176.4(7) . . . . ?
Pd4 N32 C96 C95 -179.3(7) . . . . ?
Pd4 N41 C118 N42 -167.5(6) . . . . ?
Pd5 N8 C24 C23 174.8(7) . . . . ?
Pd5 N44 C128 C129 -166.2(7) . . . . ?
Pd5 N45 C131 C132 -166.1(7) . . . . ?
Pd5 N45 C130 N46 167.3(6) . . . . ?
Pd5 N49 C143 C144 175.3(8) . . . . ?
Pd5 N49 C142 N50 -175.6(8) . . . . ?
Pd6 N16 C48 C47 176.7(9) . . . . ?
Pd6 N16 C46 N15 -176.8(9) . . . . ?
Pd6 N52 C153 C152 178.5(11) . . . . ?
Pd6 N52 C151 N51 -178.6(10) . . . . ?
Pd6 N53 C154 N54 173.7(9) . . . . ?
Pd6 N57 C166 N58 177.5(9) . . . . ?
Pd7 N24 C84 C83 179.8(8) . . . . ?
Pd7 N24 C82 N23 -179.8(8) . . . . ?
Pd7 N40 C115 N39 -178.2(11) . . . . ?
Pd7 N60 C177 C176 173.2(9) . . . . ?
Pd7 N60 C175 N59 -173.5(9) . . . . ?
Pd7 N61 C178 N62 175.4(10) . . . . ?
Pd8 N36 C106 N35 -167.4(7) . . . . ?
Pd8 N36 C108 C107 167.0(7) . . . . ?
Pd8 N48 C139 N47 178.0(8) . . . . ?
Pd8 N56 C165 C164 176.8(11) . . . . ?
Pd8 N56 C163 N55 -177.5(9) . . . . ?
Pd8 N64 C189 C188 171.1(9) . . . . ?
N1 C2 C3 N2 0.0 . . . . ?
C2 N1 C1 N2 0.0 . . . . ?
C2 C3 N2 C1 0.0 . . . . ?
C2 C3 N2 C4 -170.5(10) . . . . ?
C3 N2 C1 N1 0.0 . . . . ?
C3 N2 C4 C5 18.2(11) . . . . ?
C3 N2 C4 C9 -167.3(6) . . . . ?
N2 C4 C9 C8 -174.4(9) . . . . ?
C1 N1 C2 C3 0.0 . . . . ?
C1 N2 C4 C5 -151.1(6) . . . . ?
C1 N2 C4 C9 23.4(10) . . . . ?
N4 C10 N3 C11 0.0 . . . . ?
N4 C10 N3 C7 176.9(9) . . . . ?
C10 N4 C12 C11 0.0 . . . . ?
C10 N3 C11 C12 0.0 . . . . ?
C10 N3 C7 C6 -152.0(6) . . . . ?
C10 N3 C7 C8 39.2(10) . . . . ?
N3 C11 C12 N4 0.0 . . . . ?
N3 C7 C6 C5 -168.6(9) . . . . ?
N3 C7 C8 C9 168.9(9) . . . . ?
C11 N3 C7 C6 24.3(11) . . . . ?
C11 N3 C7 C8 -144.6(7) . . . . ?
C12 N4 C10 N3 0.0 . . . . ?
N5 C13 N6 C15 0.0 . . . . ?
N5 C13 N6 C16 175.8(11) . . . . ?
C13 N5 C14 C15 0.0 . . . . ?
C13 N6 C15 C14 0.0 . . . . ?
C13 N6 C16 C21 -25.5(12) . . . . ?
C13 N6 C16 C17 156.0(7) . . . . ?
N6 C15 C14 N5 0.0 . . . . ?
N6 C16 C17 C18 178.4(12) . . . . ?
C15 N6 C16 C21 149.4(8) . . . . ?
C15 N6 C16 C17 -29.1(14) . . . . ?
C14 N5 C13 N6 0.0 . . . . ?
N7 C22 N8 Pd5 -175.1(7) . . . . ?
N7 C22 N8 C24 0.0 . . . . ?
N7 C19 C20 C21 -171.1(13) . . . . ?
N7 C19 C18 C17 171.8(12) . . . . ?
C22 N7 C23 C24 0.0 . . . . ?
C22 N7 C19 C20 21.6(14) . . . . ?
C22 N7 C19 C18 -149.9(8) . . . . ?
C22 N8 C24 C23 0.0 . . . . ?
N8 C24 C23 N7 0.0 . . . . ?
C23 N7 C22 N8 0.0 . . . . ?
C23 N7 C19 C20 -148.7(8) . . . . ?
C23 N7 C19 C18 39.9(12) . . . . ?
N9 C26 C27 N10 0.0 . . . . ?
C26 N9 C25 N10 0.0 . . . . ?
C26 C27 N10 C25 0.0 . . . . ?
C26 C27 N10 C28 175.9(10) . . . . ?
C27 N10 C25 N9 0.0 . . . . ?
C27 N10 C28 C33 -150.6(7) . . . . ?
C27 N10 C28 C29 27.7(11) . . . . ?
N10 C28 C29 C30 -178.3(9) . . . . ?
C25 N9 C26 C27 0.0 . . . . ?
C25 N10 C28 C33 24.8(11) . . . . ?
C25 N10 C28 C29 -156.9(6) . . . . ?
N12 C34 N11 C35 0.0 . . . . ?
N12 C34 N11 C31 174.7(10) . . . . ?
C34 N12 C36 C35 0.0 . . . . ?
C34 N11 C35 C36 0.0 . . . . ?
C34 N11 C31 C32 34.1(10) . . . . ?
C34 N11 C31 C30 -144.6(6) . . . . ?
N11 C35 C36 N12 0.0 . . . . ?
N11 C31 C32 C33 -178.7(9) . . . . ?
N11 C31 C30 C29 178.7(9) . . . . ?
C35 N11 C31 C32 -152.2(6) . . . . ?
C35 N11 C31 C30 29.1(11) . . . . ?
C36 N12 C34 N11 0.0 . . . . ?
N14 C39 C38 N13 0.0 . . . . ?
N14 C40 C45 C44 168.8(11) . . . . ?
C39 N14 C37 N13 0.0 . . . . ?
C39 N14 C40 C41 -34.7(13) . . . . ?
C39 N14 C40 C45 156.5(7) . . . . ?
C39 C38 N13 Pd1 -176.0(8) . . . . ?
C39 C38 N13 C37 0.0 . . . . ?
C38 N13 C37 N14 0.0 . . . . ?
C37 N14 C39 C38 0.0 . . . . ?
C37 N14 C40 C41 146.6(7) . . . . ?
C37 N14 C40 C45 -22.2(13) . . . . ?
N16 Pd6 N52 C153 73.1(9) . . . . ?
N16 Pd6 N52 C151 -108.6(8) . . . . ?
N16 C48 C47 N15 0.0 . . . . ?
C48 N16 C46 N15 0.0 . . . . ?
C48 C47 N15 C46 0.0 . . . . ?
C48 C47 N15 C43 -177.0(13) . . . . ?
C47 N15 C46 N16 0.0 . . . . ?
C47 N15 C43 C42 38.7(13) . . . . ?
C47 N15 C43 C44 -149.7(8) . . . . ?
N15 C43 C42 C41 171.7(10) . . . . ?
N15 C43 C44 C45 -171.4(10) . . . . ?
C46 N16 C48 C47 0.0 . . . . ?
C46 N15 C43 C42 -137.9(8) . . . . ?
C46 N15 C43 C44 33.7(12) . . . . ?
N18 C49 N17 Pd2 170.7(7) . . . . ?
N18 C49 N17 C50 0.0 . . . . ?
N18 C52 C53 C54 176.9(10) . . . . ?
N18 C52 C57 C56 -176.8(10) . . . . ?
C49 N18 C51 C50 0.0 . . . . ?
C49 N18 C52 C53 -29.7(12) . . . . ?
C49 N18 C52 C57 147.1(7) . . . . ?
C49 N17 C50 C51 0.0 . . . . ?
N17 C50 C51 N18 0.0 . . . . ?
C51 N18 C49 N17 0.0 . . . . ?
C51 N18 C52 C53 153.2(7) . . . . ?
C51 N18 C52 C57 -29.9(12) . . . . ?
N20 C60 C59 N19 0.0 . . . . ?
C60 N20 C58 N19 0.0 . . . . ?
C60 C59 N19 C58 0.0 . . . . ?
C60 C59 N19 C55 172.7(10) . . . . ?
C59 N19 C58 N20 0.0 . . . . ?
C59 N19 C55 C54 -152.5(7) . . . . ?
C59 N19 C55 C56 22.4(12) . . . . ?
N19 C55 C56 C57 -175.1(9) . . . . ?
C58 N20 C60 C59 0.0 . . . . ?
C58 N19 C55 C54 19.3(10) . . . . ?
C58 N19 C55 C56 -165.7(6) . . . . ?
N21 C74 C75 N22 -6.0(17) . . . . ?
N22 C76 C77 C78 177.1(10) . . . . ?
N24 Pd7 N40 C117 -77.1(9) . . . . ?
N24 Pd7 N40 C115 100.8(9) . . . . ?
N24 C84 C83 N23 0.0 . . . . ?
C84 N24 C82 N23 0.0 . . . . ?
C84 C83 N23 C82 0.0 . . . . ?
C84 C83 N23 C79 178.3(12) . . . . ?
C83 N23 C82 N24 0.0 . . . . ?
C83 N23 C79 C80 144.7(8) . . . . ?
C83 N23 C79 C78 -39.0(12) . . . . ?
N23 C79 C80 C81 176.3(10) . . . . ?
N23 C79 C78 C77 -176.5(9) . . . . ?
C82 N24 C84 C83 0.0 . . . . ?
C82 N23 C79 C80 -37.2(11) . . . . ?
C82 N23 C79 C78 139.1(7) . . . . ?
N26 C61 N25 Pd2 179.3(8) . . . . ?
N26 C61 N25 C62 0.0 . . . . ?
N26 C64 C69 C68 178.3(11) . . . . ?
N26 C64 C65 C66 -178.4(10) . . . . ?
C61 N26 C63 C62 0.0 . . . . ?
C61 N26 C64 C69 -133.0(9) . . . . ?
C61 N26 C64 C65 45.4(12) . . . . ?
C61 N25 C62 C63 0.0 . . . . ?
N25 C62 C63 N26 0.0 . . . . ?
C63 N26 C61 N25 0.0 . . . . ?
C63 N26 C64 C69 32.9(14) . . . . ?
C63 N26 C64 C65 -148.8(8) . . . . ?
N27 C71 C72 N28 0.0 . . . . ?
N27 C67 C66 C65 -179.6(11) . . . . ?
C71 N27 C70 N28 0.0 . . . . ?
C71 N27 C67 C68 36.9(13) . . . . ?
C71 N27 C67 C66 -143.5(8) . . . . ?
C71 C72 N28 Pd3 -179.4(8) . . . . ?
C71 C72 N28 C70 0.0 . . . . ?
C72 N28 C70 N27 0.0 . . . . ?
C70 N27 C71 C72 0.0 . . . . ?
C70 N27 C67 C68 -147.7(7) . . . . ?
C70 N27 C67 C66 31.9(12) . . . . ?
N30 C87 C86 N29 0.0 . . . . ?
N30 C88 C93 C92 -177.0(10) . . . . ?
N30 C88 C89 C90 177.0(10) . . . . ?
C87 N30 C85 N29 0.0 . . . . ?
C87 N30 C88 C93 -147.0(7) . . . . ?
C87 N30 C88 C89 36.0(12) . . . . ?
C87 C86 N29 Pd3 178.6(9) . . . . ?
C87 C86 N29 C85 0.0 . . . . ?
C86 N29 C85 N30 0.0 . . . . ?
N29 Pd3 N33 C98 -111.4(7) . . . . ?
N29 Pd3 N33 C97 80.6(6) . . . . ?
C85 N30 C87 C86 0.0 . . . . ?
C85 N30 C88 C93 35.2(11) . . . . ?
C85 N30 C88 C89 -141.7(7) . . . . ?
N31 C94 N32 Pd4 179.3(7) . . . . ?
N31 C94 N32 C96 0.0 . . . . ?
N31 C91 C90 C89 -177.3(9) . . . . ?
C94 N31 C95 C96 0.0 . . . . ?
C94 N31 C91 C92 -37.7(10) . . . . ?
C94 N31 C91 C90 139.6(6) . . . . ?
C94 N32 C96 C95 0.0 . . . . ?
N32 C96 C95 N31 0.0 . . . . ?
C95 N31 C94 N32 0.0 . . . . ?
C95 N31 C91 C92 146.4(7) . . . . ?
C95 N31 C91 C90 -36.2(12) . . . . ?
N33 C98 C99 N34 0.0 . . . . ?
C98 N33 C97 N34 0.0 . . . . ?
C98 C99 N34 C97 0.0 . . . . ?
C98 C99 N34 C100 178.2(11) . . . . ?
C99 N34 C97 N33 0.0 . . . . ?
C99 N34 C100 C101 -36.7(12) . . . . ?
C99 N34 C100 C105 151.7(7) . . . . ?
N34 C100 C101 C102 -171.5(10) . . . . ?
N34 C100 C105 C104 171.8(10) . . . . ?
C97 N33 C98 C99 0.0 . . . . ?
C97 N34 C100 C101 141.1(8) . . . . ?
C97 N34 C100 C105 -30.6(13) . . . . ?
N36 C106 N35 C107 0.0 . . . . ?
N36 C106 N35 C103 176.8(11) . . . . ?
C106 N36 C108 C107 0.0 . . . . ?
C106 N35 C107 C108 0.0 . . . . ?
C106 N35 C103 C102 -150.5(7) . . . . ?
C106 N35 C103 C104 26.7(12) . . . . ?
N35 C107 C108 N36 0.0 . . . . ?
N35 C103 C104 C105 -177.1(10) . . . . ?
C107 N35 C103 C102 25.7(12) . . . . ?
C107 N35 C103 C104 -157.1(7) . . . . ?
C108 N36 C106 N35 0.0 . . . . ?
N37 Pd3 N33 C98 67.7(7) . . . . ?
N37 Pd3 N33 C97 -100.3(6) . . . . ?
N37 C191 C192 N38 0.0 . . . . ?
C191 N37 C190 N38 0.0 . . . . ?
C191 C192 N38 C190 0.0 . . . . ?
C191 C192 N38 C109 -169.4(16) . . . . ?
C192 N38 C190 N37 0.0 . . . . ?
C192 N38 C109 C110 -18.3(17) . . . . ?
C192 N38 C109 C114 164.0(9) . . . . ?
C190 N37 C191 C192 0.0 . . . . ?
C190 N38 C109 C110 173.2(8) . . . . ?
C190 N38 C109 C114 -4.5(15) . . . . ?
N39 C116 C117 N40 0.0 . . . . ?
N39 C112 C113 C114 -168.6(14) . . . . ?
C116 N39 C115 N40 0.0 . . . . ?
C116 N39 C112 C111 33.7(15) . . . . ?
C116 N39 C112 C113 -157.5(9) . . . . ?
C116 C117 N40 Pd7 178.1(11) . . . . ?
C116 C117 N40 C115 0.0 . . . . ?
C117 N40 C115 N39 0.0 . . . . ?
N40 Pd7 N61 C180 -103.0(8) . . . . ?
N40 Pd7 N61 C178 82.3(8) . . . . ?
C115 N39 C116 C117 0.0 . . . . ?
C115 N39 C112 C111 -156.4(9) . . . . ?
C115 N39 C112 C113 12.4(17) . . . . ?
N42 C120 C119 N41 0.0 . . . . ?
N42 C121 C122 C123 -178.1(9) . . . . ?
N42 C121 C126 C125 178.2(8) . . . . ?
C120 N42 C118 N41 0.0 . . . . ?
C120 N42 C121 C122 -141.8(6) . . . . ?
C120 N42 C121 C126 40.0(10) . . . . ?
C120 C119 N41 Pd4 166.9(6) . . . . ?
C120 C119 N41 C118 0.0 . . . . ?
C119 N41 C118 N42 0.0 . . . . ?
C118 N42 C120 C119 0.0 . . . . ?
C118 N42 C121 C122 37.1(10) . . . . ?
C118 N42 C121 C126 -141.1(6) . . . . ?
N43 C127 N44 Pd5 167.7(6) . . . . ?
N43 C127 N44 C128 0.0 . . . . ?
N43 C124 C125 C126 -172.8(9) . . . . ?
C127 N43 C129 C128 0.0 . . . . ?
C127 N43 C124 C123 -22.4(10) . . . . ?
C127 N43 C124 C125 150.4(6) . . . . ?
C127 N44 C128 C129 0.0 . . . . ?
N44 C128 C129 N43 0.0 . . . . ?
C129 N43 C127 N44 0.0 . . . . ?
C129 N43 C124 C123 155.1(6) . . . . ?
C129 N43 C124 C125 -32.2(10) . . . . ?
N45 C131 C132 N46 0.0 . . . . ?
C131 N45 C130 N46 0.0 . . . . ?
C131 C132 N46 C130 0.0 . . . . ?
C131 C132 N46 C133 -176.4(10) . . . . ?
C132 N46 C130 N45 0.0 . . . . ?
C132 N46 C133 C134 -41.2(11) . . . . ?
C132 N46 C133 C138 145.0(7) . . . . ?
N46 C133 C134 C135 -173.8(10) . . . . ?
N46 C133 C138 C137 173.7(10) . . . . ?
C130 N45 C131 C132 0.0 . . . . ?
C130 N46 C133 C134 142.9(6) . . . . ?
C130 N46 C133 C138 -30.9(11) . . . . ?
N47 C140 C141 N48 0.0 . . . . ?
N47 C136 C137 C138 177.1(10) . . . . ?
C140 N47 C139 N48 0.0 . . . . ?
C140 N47 C136 C135 41.2(12) . . . . ?
C140 N47 C136 C137 -135.9(8) . . . . ?
C140 C141 N48 Pd8 -177.9(9) . . . . ?
C140 C141 N48 C139 0.0 . . . . ?
C141 N48 C139 N47 0.0 . . . . ?
C139 N47 C140 C141 0.0 . . . . ?
C139 N47 C136 C135 -142.6(6) . . . . ?
C139 N47 C136 C137 40.2(11) . . . . ?
N49 C143 C144 N50 0.0 . . . . ?
C143 N49 C142 N50 0.0 . . . . ?
C143 C144 N50 C142 0.0 . . . . ?
C143 C144 N50 C145 171.6(12) . . . . ?
C144 N50 C142 N49 0.0 . . . . ?
C144 N50 C145 C148 29.0(14) . . . . ?
C144 N50 C145 C146 -157.4(8) . . . . ?
N50 C145 C146 C147 -173.4(12) . . . . ?
C142 N49 C143 C144 0.0 . . . . ?
C142 N50 C145 C148 -160.3(7) . . . . ?
C142 N50 C145 C146 13.3(13) . . . . ?
N52 C153 C152 N51 0.0 . . . . ?
C153 N52 C151 N51 0.0 . . . . ?
C153 C152 N51 C151 0.0 . . . . ?
C153 C152 N51 C150 -171.3(15) . . . . ?
C152 N51 C151 N52 0.0 . . . . ?
C152 N51 C150 C149 19.4(16) . . . . ?
C152 N51 C150 C147 -157.3(9) . . . . ?
N51 C150 C149 C148 -176.7(12) . . . . ?
N51 C150 C147 C146 176.7(12) . . . . ?
C151 N52 C153 C152 0.0 . . . . ?
C151 N51 C150 C149 -150.8(8) . . . . ?
C151 N51 C150 C147 32.5(15) . . . . ?
N54 C156 C155 N53 0.0 . . . . ?
N54 C157 C162 C161 170.2(13) . . . . ?
C156 N54 C154 N53 0.0 . . . . ?
C156 N54 C157 C158 -40.9(15) . . . . ?
C156 N54 C157 C162 148.4(10) . . . . ?
C156 C155 N53 Pd6 -173.2(10) . . . . ?
C156 C155 N53 C154 0.0 . . . . ?
C155 N53 C154 N54 0.0 . . . . ?
N53 Pd6 N52 C153 -104.8(9) . . . . ?
N53 Pd6 N52 C151 73.5(8) . . . . ?
C154 N54 C156 C155 0.0 . . . . ?
C154 N54 C157 C158 152.9(8) . . . . ?
C154 N54 C157 C162 -17.8(15) . . . . ?
N56 C165 C164 N55 0.0 . . . . ?
C165 N56 C163 N55 0.0 . . . . ?
C165 C164 N55 C163 0.0 . . . . ?
C165 C164 N55 C160 -177.0(15) . . . . ?
C164 N55 C163 N56 0.0 . . . . ?
C164 N55 C160 C159 -47.4(15) . . . . ?
C164 N55 C160 C161 129.1(11) . . . . ?
N55 C160 C159 C158 176.6(12) . . . . ?
N55 C160 C161 C162 -176.4(13) . . . . ?
C163 N56 C165 C164 0.0 . . . . ?
C163 N55 C160 C159 136.0(9) . . . . ?
C163 N55 C160 C161 -47.5(14) . . . . ?
N58 C168 C167 N57 0.0 . . . . ?
N58 C169 C174 C173 -173.0(15) . . . . ?
C168 N58 C166 N57 0.0 . . . . ?
C168 N58 C169 C170 -15.2(18) . . . . ?
C168 N58 C169 C174 158.2(10) . . . . ?
C168 C167 N57 Pd6 -177.5(9) . . . . ?
C168 C167 N57 C166 0.0 . . . . ?
C167 N57 C166 N58 0.0 . . . . ?
C166 N58 C168 C167 0.0 . . . . ?
C166 N58 C169 C170 161.2(7) . . . . ?
C166 N58 C169 C174 -25.4(15) . . . . ?
N60 Pd7 N61 C180 77.5(8) . . . . ?
N60 Pd7 N61 C178 -97.2(8) . . . . ?
N60 C177 C176 N59 0.0 . . . . ?
C177 N60 C175 N59 0.0 . . . . ?
C177 C176 N59 C175 0.0 . . . . ?
C177 C176 N59 C172 -178.5(15) . . . . ?
C176 N59 C175 N60 0.0 . . . . ?
C176 N59 C172 C171 -13.7(16) . . . . ?
C176 N59 C172 C173 159.3(9) . . . . ?
N59 C172 C171 C170 173.4(13) . . . . ?
N59 C172 C173 C174 -172.6(14) . . . . ?
C175 N60 C177 C176 0.0 . . . . ?
C175 N59 C172 C171 168.0(7) . . . . ?
C175 N59 C172 C173 -19.0(15) . . . . ?
N62 C179 C180 N61 0.0 . . . . ?
N62 C181 C186 C185 179.3(13) . . . . ?
N62 C181 C182 C183 -179.3(13) . . . . ?
C179 N62 C178 N61 0.0 . . . . ?
C179 N62 C181 C186 158.2(9) . . . . ?
C179 N62 C181 C182 -22.5(16) . . . . ?
C179 C180 N61 Pd7 -175.5(9) . . . . ?
C179 C180 N61 C178 0.0 . . . . ?
C180 N61 C178 N62 0.0 . . . . ?
N61 Pd7 N40 C117 103.8(9) . . . . ?
N61 Pd7 N40 C115 -78.4(9) . . . . ?
C178 N62 C179 C180 0.0 . . . . ?
C178 N62 C181 C186 -21.1(14) . . . . ?
C178 N62 C181 C182 158.2(8) . . . . ?
C7 N3 C11 C12 -176.8(10) . . . . ?
C7 C6 C5 C4 0.0 . . . . ?
C6 C7 C8 C9 0.0 . . . . ?
C6 C5 C4 N2 174.6(9) . . . . ?
C6 C5 C4 C9 0.0 . . . . ?
C5 C4 C9 C8 0.0 . . . . ?
C4 N2 C1 N1 171.3(9) . . . . ?
C4 C9 C8 C7 0.0 . . . . ?
C8 C7 C6 C5 0.0 . . . . ?
C19 N7 C22 N8 -171.7(12) . . . . ?
C19 N7 C23 C24 171.7(12) . . . . ?
C19 C20 C21 C16 0.0 . . . . ?
C20 C19 C18 C17 0.0 . . . . ?
C20 C21 C16 N6 -178.5(11) . . . . ?
C20 C21 C16 C17 0.0 . . . . ?
C21 C16 C17 C18 0.0 . . . . ?
C16 N6 C15 C14 -175.5(12) . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C31 N11 C35 C36 -174.6(10) . . . . ?
C31 C32 C33 C28 0.0 . . . . ?
C32 C31 C30 C29 0.0 . . . . ?
C32 C33 C28 N10 178.3(10) . . . . ?
C32 C33 C28 C29 0.0 . . . . ?
C33 C28 C29 C30 0.0 . . . . ?
C28 N10 C25 N9 -176.2(10) . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
C30 C31 C32 C33 0.0 . . . . ?
C43 N15 C46 N16 177.2(12) . . . . ?
C43 C42 C41 C40 0.0 . . . . ?
C42 C43 C44 C45 0.0 . . . . ?
C42 C41 C40 N14 -168.6(11) . . . . ?
C42 C41 C40 C45 0.0 . . . . ?
C41 C40 C45 C44 0.0 . . . . ?
C40 N14 C39 C38 -178.9(13) . . . . ?
C40 N14 C37 N13 178.9(12) . . . . ?
C40 C45 C44 C43 0.0 . . . . ?
C44 C43 C42 C41 0.0 . . . . ?
C52 N18 C49 N17 -177.5(11) . . . . ?
C52 N18 C51 C50 177.5(11) . . . . ?
C52 C53 C54 C55 0.0 . . . . ?
C53 C52 C57 C56 0.0 . . . . ?
C53 C54 C55 N19 174.9(10) . . . . ?
C53 C54 C55 C56 0.0 . . . . ?
C54 C55 C56 C57 0.0 . . . . ?
C55 N19 C58 N20 -173.5(9) . . . . ?
C55 C56 C57 C52 0.0 . . . . ?
C57 C52 C53 C54 0.0 . . . . ?
C64 N26 C61 N25 168.2(12) . . . . ?
C64 N26 C63 C62 -167.6(12) . . . . ?
C64 C69 C68 C67 0.0 . . . . ?
C69 C64 C65 C66 0.0 . . . . ?
C69 C68 C67 N27 179.6(10) . . . . ?
C69 C68 C67 C66 0.0 . . . . ?
C68 C67 C66 C65 0.0 . . . . ?
C67 N27 C71 C72 175.9(12) . . . . ?
C67 N27 C70 N28 -176.2(11) . . . . ?
C67 C66 C65 C64 0.0 . . . . ?
C65 C64 C69 C68 0.0 . . . . ?
C73 N21 C74 C75 1.1(17) . . . . ?
C73 N22 C75 C74 8.9(18) . . . . ?
C73 N22 C76 C81 31.1(16) . . . . ?
C73 N22 C76 C77 -146.1(11) . . . . ?
C74 N21 C73 N22 4.2(17) . . . . ?
C75 N22 C73 N21 -8.4(18) . . . . ?
C75 N22 C76 C81 -141.7(13) . . . . ?
C75 N22 C76 C77 41.2(17) . . . . ?
C79 N23 C82 N24 -178.5(10) . . . . ?
C79 C80 C81 C76 0.0 . . . . ?
C80 C79 C78 C77 0.0 . . . . ?
C80 C81 C76 N22 -177.1(10) . . . . ?
C80 C81 C76 C77 0.0 . . . . ?
C81 C76 C77 C78 0.0 . . . . ?
C76 N22 C73 N21 177.8(12) . . . . ?
C76 N22 C75 C74 -177.7(12) . . . . ?
C76 C77 C78 C79 0.0 . . . . ?
C78 C79 C80 C81 0.0 . . . . ?
C88 N30 C87 C86 -178.0(11) . . . . ?
C88 N30 C85 N29 178.1(10) . . . . ?
C88 C93 C92 C91 0.0 . . . . ?
C93 C88 C89 C90 0.0 . . . . ?
C93 C92 C91 N31 177.4(9) . . . . ?
C93 C92 C91 C90 0.0 . . . . ?
C92 C91 C90 C89 0.0 . . . . ?
C91 N31 C94 N32 -176.7(10) . . . . ?
C91 N31 C95 C96 176.3(11) . . . . ?
C91 C90 C89 C88 0.0 . . . . ?
C89 C88 C93 C92 0.0 . . . . ?
C100 N34 C97 N33 -178.0(12) . . . . ?
C100 C101 C102 C103 0.0 . . . . ?
C101 C100 C105 C104 0.0 . . . . ?
C101 C102 C103 N35 177.2(10) . . . . ?
C101 C102 C103 C104 0.0 . . . . ?
C102 C103 C104 C105 0.0 . . . . ?
C103 N35 C107 C108 -176.7(11) . . . . ?
C103 C104 C105 C100 0.0 . . . . ?
C105 C100 C101 C102 0.0 . . . . ?
C110 C111 C112 N39 168.8(13) . . . . ?
C110 C111 C112 C113 0.0 . . . . ?
C111 C110 C109 N38 -177.8(13) . . . . ?
C111 C110 C109 C114 0.0 . . . . ?
C111 C112 C113 C114 0.0 . . . . ?
C112 N39 C116 C117 171.6(15) . . . . ?
C112 N39 C115 N40 -171.2(15) . . . . ?
C112 C113 C114 C109 0.0 . . . . ?
C113 C114 C109 N38 177.6(14) . . . . ?
C113 C114 C109 C110 0.0 . . . . ?
C109 N38 C190 N37 171.1(13) . . . . ?
C109 C110 C111 C112 0.0 . . . . ?
C121 N42 C120 C119 179.0(9) . . . . ?
C121 N42 C118 N41 -179.1(9) . . . . ?
C121 C122 C123 C124 0.0 . . . . ?
C122 C121 C126 C125 0.0 . . . . ?
C122 C123 C124 N43 172.8(9) . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C123 C124 C125 C126 0.0 . . . . ?
C124 N43 C127 N44 177.9(10) . . . . ?
C124 N43 C129 C128 -177.8(10) . . . . ?
C124 C125 C126 C121 0.0 . . . . ?
C126 C121 C122 C123 0.0 . . . . ?
C133 N46 C130 N45 176.6(10) . . . . ?
C133 C134 C135 C136 0.0 . . . . ?
C134 C133 C138 C137 0.0 . . . . ?
C134 C135 C136 N47 -177.2(9) . . . . ?
C134 C135 C136 C137 0.0 . . . . ?
C135 C136 C137 C138 0.0 . . . . ?
C136 N47 C140 C141 176.5(11) . . . . ?
C136 N47 C139 N48 -177.0(10) . . . . ?
C136 C137 C138 C133 0.0 . . . . ?
C138 C133 C134 C135 0.0 . . . . ?
C150 N51 C151 N52 171.9(14) . . . . ?
C150 C149 C148 C145 0.0 . . . . ?
C149 C150 C147 C146 0.0 . . . . ?
C149 C148 C145 N50 173.8(11) . . . . ?
C149 C148 C145 C146 0.0 . . . . ?
C148 C145 C146 C147 0.0 . . . . ?
C145 N50 C142 N49 -172.7(11) . . . . ?
C145 C146 C147 C150 0.0 . . . . ?
C147 C150 C149 C148 0.0 . . . . ?
C160 N55 C163 N56 177.3(13) . . . . ?
C160 C159 C158 C157 0.0 . . . . ?
C159 C160 C161 C162 0.0 . . . . ?
C159 C158 C157 N54 -171.2(12) . . . . ?
C159 C158 C157 C162 0.0 . . . . ?
C158 C157 C162 C161 0.0 . . . . ?
C157 N54 C156 C155 -167.5(15) . . . . ?
C157 N54 C154 N53 169.0(13) . . . . ?
C157 C162 C161 C160 0.0 . . . . ?
C161 C160 C159 C158 0.0 . . . . ?
C172 N59 C175 N60 178.7(13) . . . . ?
C172 C171 C170 C169 0.0 . . . . ?
C171 C172 C173 C174 0.0 . . . . ?
C171 C170 C169 N58 173.8(13) . . . . ?
C171 C170 C169 C174 0.0 . . . . ?
C170 C169 C174 C173 0.0 . . . . ?
C169 N58 C168 C167 176.6(17) . . . . ?
C169 N58 C166 N57 -177.4(13) . . . . ?
C169 C174 C173 C172 0.0 . . . . ?
C173 C172 C171 C170 0.0 . . . . ?
C181 N62 C179 C180 -179.4(14) . . . . ?
C181 N62 C178 N61 179.4(13) . . . . ?
C181 C186 C185 C184 0.0 . . . . ?
C186 C181 C182 C183 0.0 . . . . ?
C186 C185 C184 C183 0.0 . . . . ?
C186 C185 C184 N63 -173.5(13) . . . . ?
C185 C184 C183 C182 0.0 . . . . ?
C185 C184 N63 C187 0.4(15) . . . . ?
C185 C184 N63 C188 180.0(8) . . . . ?
C184 C183 C182 C181 0.0 . . . . ?
C183 C184 N63 C187 -173.1(8) . . . . ?
C183 C184 N63 C188 6.5(15) . . . . ?
C182 C181 C186 C185 0.0 . . . . ?
C187 N64 C189 C188 0.0 . . . . ?
N64 C187 N63 C184 179.7(13) . . . . ?
N64 C187 N63 C188 0.0 . . . . ?
N64 C189 C188 N63 0.0 . . . . ?
C189 C188 N63 C184 -179.7(13) . . . . ?
C189 C188 N63 C187 0.0 . . . . ?
N63 C184 C183 C182 173.4(13) . . . . ?
N63 C187 N64 Pd8 -172.2(8) . . . . ?
N63 C187 N64 C189 0.0 . . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0.0000 0.0000 1.0000 0.0052 -0.0490 -0.0180
-0.0000 -0.0000 -1.0000 -0.0052 0.0490 0.0180
1.0000 0.0000 0.0000 0.0678 -0.0038 0.0032
-1.0000 -0.0000 -0.0000 -0.0678 0.0038 -0.0032
-0.0000 1.0000 -0.0000 0.0208 -0.0272 0.0516
0.0000 -1.0000 0.0000 -0.0208 0.0272 -0.0516
0.0000 1.0000 -1.0000 0.0156 0.0218 0.0695
-0.0000 -1.0000 1.0000 -0.0156 -0.0218 -0.0695
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.714 -0.730 -0.851 11207.9 3672.3 ?
