#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:06:44 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179826 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/22/7012297.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_7012297
loop_
_publ_author_name
'Danopoulos, Andreas A.'
'Tulloch, Arran A. D.'
'Winston, Scott'
'Eastham, Graham'
'Hursthouse, Michael B.'
_publ_section_title
;
 Chelating and 'pincer' dicarbene complexes of palladium; synthesis and
 structural studiesElectronic supplementary information (ESI)
 available: crystallographic data and ORTEP plot for compound 5c. See
 http://www.rsc.org/suppdata/dt/b2/b209739g/
;
_journal_issue                   5
_journal_name_full               'Dalton Transactions'
_journal_page_first              1009
_journal_paper_doi               10.1039/b209739g
_journal_year                    2003
_chemical_formula_moiety         'C118 H145 Br3 N12 O Pd3'
_chemical_formula_sum            'C118 H145 Br3 N12 O Pd3'
_chemical_formula_weight         2306.39
_chemical_name_common            01sw049
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.001(2)
_cell_angle_beta                 96.4400(10)
_cell_angle_gamma                93.111(2)
_cell_formula_units_Z            2
_cell_length_a                   16.0118(6)
_cell_length_b                   16.4652(6)
_cell_length_c                   23.5036(10)
_cell_measurement_reflns_used    194744
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.51
_cell_measurement_theta_min      1.02
_cell_volume                     5757.4(4)
_computing_cell_refinement       'Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'Denzo a. Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.733
_diffrn_measured_fraction_theta_max 0.733
_diffrn_measurement_device       'Nonius KappaCCD Area Detector'
_diffrn_measurement_method       'Phi and Omega scans to fill Ewald Sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2463
_diffrn_reflns_av_sigmaI/netI    0.3523
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            75784
_diffrn_reflns_theta_full        30.43
_diffrn_reflns_theta_max         30.43
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    1.556
_exptl_absorpt_correction_T_max  0.9846
_exptl_absorpt_correction_T_min  0.9548
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sortav
_exptl_crystal_colour            Clear
_exptl_crystal_density_diffrn    1.330
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2376
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.917
_refine_diff_density_min         -1.113
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1234
_refine_ls_number_reflns         25601
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.2882
_refine_ls_R_factor_gt           0.0922
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0677P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1513
_refine_ls_wR_factor_ref         0.2074
_reflns_number_gt                9219
_reflns_number_total             25601
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b209739g.txt
_cod_data_source_block           compound5c
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7012297
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4877(6) 0.1167(6) 0.6719(4) 0.034(2) Uani 1 1 d . . .
C2 C 0.6154(6) 0.1777(6) 0.6694(4) 0.036(3) Uani 1 1 d . . .
H2 H 0.6743 0.1849 0.6679 0.043 Uiso 1 1 calc R . .
C3 C 0.5616(6) 0.2367(6) 0.6717(4) 0.037(3) Uani 1 1 d . . .
H3 H 0.5745 0.2941 0.6725 0.045 Uiso 1 1 calc R . .
C4 C 0.4063(6) 0.2422(6) 0.6781(5) 0.041(3) Uani 1 1 d . . .
H4A H 0.3649 0.2138 0.6409 0.049 Uiso 1 1 calc R . .
H4B H 0.4191 0.3036 0.6823 0.049 Uiso 1 1 calc R . .
C5 C 0.3693(6) 0.2377(6) 0.7337(4) 0.032(2) Uani 1 1 d . . .
C6 C 0.3613(5) 0.1585(6) 0.7440(4) 0.028(2) Uani 1 1 d . . .
C7 C 0.3351(5) 0.1593(6) 0.7987(5) 0.036(3) Uani 1 1 d . . .
C8 C 0.3114(6) 0.2347(6) 0.8409(4) 0.040(3) Uani 1 1 d . . .
H8 H 0.2923 0.2332 0.8775 0.048 Uiso 1 1 calc R . .
C9 C 0.3160(6) 0.3116(7) 0.8289(5) 0.043(3) Uani 1 1 d . . .
H9 H 0.2984 0.3629 0.8564 0.052 Uiso 1 1 calc R . .
C10 C 0.3465(6) 0.3127(6) 0.7764(5) 0.040(3) Uani 1 1 d . . .
H10 H 0.3520 0.3659 0.7691 0.048 Uiso 1 1 calc R . .
C11 C 0.3273(6) 0.0748(6) 0.8104(4) 0.042(3) Uani 1 1 d . . .
H11A H 0.3827 0.0509 0.8105 0.050 Uiso 1 1 calc R . .
H11B H 0.3086 0.0846 0.8508 0.050 Uiso 1 1 calc R . .
C12 C 0.1868(6) -0.0149(6) 0.7675(4) 0.036(2) Uani 1 1 d . . .
H12 H 0.1645 -0.0086 0.8044 0.043 Uiso 1 1 calc R . .
C13 C 0.1463(6) -0.0543(6) 0.7092(4) 0.034(2) Uani 1 1 d . . .
H13 H 0.0894 -0.0796 0.6977 0.041 Uiso 1 1 calc R . .
C14 C 0.2774(6) -0.0049(6) 0.7023(4) 0.034(2) Uani 1 1 d . . .
C15 C 0.1767(5) -0.0797(6) 0.6049(4) 0.032(2) Uani 1 1 d . . .
C16 C 0.1740(6) -0.1678(6) 0.5709(4) 0.031(2) Uani 1 1 d . . .
C17 C 0.1392(6) -0.1938(7) 0.5103(5) 0.048(3) Uani 1 1 d . . .
H17 H 0.1373 -0.2533 0.4856 0.057 Uiso 1 1 calc R . .
C18 C 0.1072(6) -0.1369(7) 0.4845(5) 0.046(3) Uani 1 1 d . . .
H18 H 0.0825 -0.1571 0.4428 0.055 Uiso 1 1 calc R . .
C19 C 0.1111(6) -0.0503(7) 0.5195(5) 0.040(3) Uani 1 1 d . . .
H19 H 0.0892 -0.0112 0.5012 0.048 Uiso 1 1 calc R . .
C20 C 0.1458(6) -0.0182(6) 0.5804(5) 0.034(2) Uani 1 1 d . . .
C21 C 0.1482(6) 0.0768(6) 0.6179(5) 0.040(3) Uani 1 1 d . . .
H21 H 0.1901 0.0888 0.6555 0.048 Uiso 1 1 calc R . .
C22 C 0.0612(7) 0.0972(7) 0.6389(6) 0.074(4) Uani 1 1 d . . .
H22A H 0.0432 0.0566 0.6585 0.110 Uiso 1 1 calc R . .
H22B H 0.0197 0.0910 0.6033 0.110 Uiso 1 1 calc R . .
H22C H 0.0654 0.1568 0.6681 0.110 Uiso 1 1 calc R . .
C23 C 0.1746(8) 0.1356(7) 0.5864(5) 0.067(4) Uani 1 1 d . . .
H23A H 0.2321 0.1262 0.5768 0.101 Uiso 1 1 calc R . .
H23B H 0.1733 0.1960 0.6130 0.101 Uiso 1 1 calc R . .
H23C H 0.1359 0.1237 0.5485 0.101 Uiso 1 1 calc R . .
C24 C 0.2038(6) -0.2342(6) 0.5984(4) 0.039(3) Uani 1 1 d . . .
H24 H 0.2403 -0.2016 0.6381 0.047 Uiso 1 1 calc R . .
C25 C 0.1303(7) -0.2832(7) 0.6125(5) 0.057(3) Uani 1 1 d . . .
H25A H 0.1520 -0.3232 0.6320 0.086 Uiso 1 1 calc R . .
H25B H 0.0932 -0.3162 0.5745 0.086 Uiso 1 1 calc R . .
H25C H 0.0983 -0.2418 0.6402 0.086 Uiso 1 1 calc R . .
C26 C 0.2575(6) -0.2973(7) 0.5581(5) 0.050(3) Uani 1 1 d . . .
H26A H 0.2216 -0.3364 0.5213 0.076 Uiso 1 1 calc R . .
H26B H 0.2842 -0.3314 0.5807 0.076 Uiso 1 1 calc R . .
H26C H 0.3013 -0.2647 0.5463 0.076 Uiso 1 1 calc R . .
C27 C 0.6025(5) 0.0212(6) 0.6625(4) 0.027(2) Uani 1 1 d . . .
C28 C 0.6094(6) -0.0075(6) 0.7121(5) 0.038(3) Uani 1 1 d . . .
C29 C 0.6377(6) -0.0898(7) 0.7027(5) 0.043(3) Uani 1 1 d . . .
H29 H 0.6429 -0.1116 0.7354 0.052 Uiso 1 1 calc R . .
C30 C 0.6582(6) -0.1393(7) 0.6464(5) 0.043(3) Uani 1 1 d . . .
H30 H 0.6731 -0.1966 0.6396 0.052 Uiso 1 1 calc R . .
C31 C 0.6568(6) -0.1054(6) 0.6001(5) 0.040(3) Uani 1 1 d . . .
H31 H 0.6763 -0.1380 0.5631 0.048 Uiso 1 1 calc R . .
C32 C 0.6278(6) -0.0249(6) 0.6059(4) 0.031(2) Uani 1 1 d . . .
C33 C 0.6242(6) 0.0083(6) 0.5533(4) 0.031(2) Uani 1 1 d . . .
H33 H 0.5885 0.0580 0.5624 0.037 Uiso 1 1 calc R . .
C34 C 0.5849(6) -0.0599(6) 0.4927(4) 0.042(3) Uani 1 1 d . . .
H34A H 0.6228 -0.1056 0.4799 0.063 Uiso 1 1 calc R . .
H34B H 0.5759 -0.0328 0.4617 0.063 Uiso 1 1 calc R . .
H34C H 0.5306 -0.0854 0.4976 0.063 Uiso 1 1 calc R . .
C35 C 0.7133(6) 0.0426(7) 0.5474(5) 0.052(3) Uani 1 1 d . . .
H35A H 0.7368 0.0897 0.5855 0.078 Uiso 1 1 calc R . .
H35B H 0.7097 0.0646 0.5134 0.078 Uiso 1 1 calc R . .
H35C H 0.7500 -0.0046 0.5395 0.078 Uiso 1 1 calc R . .
C36 C 0.5913(6) 0.0473(7) 0.7749(4) 0.040(3) Uani 1 1 d . . .
H36 H 0.5460 0.0842 0.7688 0.048 Uiso 1 1 calc R . .
C37 C 0.5604(8) -0.0023(8) 0.8133(5) 0.073(4) Uani 1 1 d . . .
H37A H 0.5371 0.0375 0.8479 0.110 Uiso 1 1 calc R . .
H37B H 0.6077 -0.0280 0.8286 0.110 Uiso 1 1 calc R . .
H37C H 0.5165 -0.0484 0.7883 0.110 Uiso 1 1 calc R . .
C38 C 0.6699(7) 0.1092(8) 0.8111(5) 0.072(4) Uani 1 1 d . . .
H38A H 0.6836 0.1496 0.7903 0.108 Uiso 1 1 calc R . .
H38B H 0.7178 0.0754 0.8138 0.108 Uiso 1 1 calc R . .
H38C H 0.6584 0.1421 0.8524 0.108 Uiso 1 1 calc R . .
C39 C 0.4616(6) 0.5996(5) 0.6789(4) 0.032(2) Uani 1 1 d . . .
C40 C 0.4811(6) 0.6024(6) 0.5862(4) 0.035(2) Uani 1 1 d . . .
H40 H 0.4883 0.5828 0.5443 0.042 Uiso 1 1 calc R . .
C41 C 0.4755(6) 0.6848(6) 0.6217(4) 0.035(2) Uani 1 1 d . . .
H41 H 0.4793 0.7350 0.6104 0.042 Uiso 1 1 calc R . .
C42 C 0.4459(6) 0.7565(6) 0.7292(4) 0.038(3) Uani 1 1 d . . .
H42A H 0.4429 0.8080 0.7167 0.046 Uiso 1 1 calc R . .
H42B H 0.4919 0.7699 0.7639 0.046 Uiso 1 1 calc R . .
C43 C 0.4791(6) 0.4579(6) 0.5957(4) 0.030(2) Uani 1 1 d . . .
C44 C 0.5582(7) 0.4302(6) 0.5891(5) 0.038(3) Uani 1 1 d . . .
C45 C 0.5615(8) 0.3420(8) 0.5556(5) 0.052(3) Uani 1 1 d . . .
H45 H 0.6152 0.3206 0.5507 0.062 Uiso 1 1 calc R . .
C46 C 0.4900(9) 0.2852(7) 0.5297(5) 0.056(3) Uani 1 1 d . . .
H46 H 0.4940 0.2265 0.5053 0.067 Uiso 1 1 calc R . .
C47 C 0.4113(8) 0.3159(7) 0.5400(5) 0.057(3) Uani 1 1 d . . .
H47 H 0.3618 0.2762 0.5251 0.069 Uiso 1 1 calc R . .
C48 C 0.4035(7) 0.4026(7) 0.5715(5) 0.045(3) Uani 1 1 d . . .
C49 C 0.3144(7) 0.4321(7) 0.5811(5) 0.056(3) Uani 1 1 d . . .
H49 H 0.3165 0.4954 0.5871 0.067 Uiso 1 1 calc R . .
C50 C 0.2449(8) 0.3828(10) 0.5272(6) 0.103(6) Uani 1 1 d . . .
H50A H 0.2652 0.3787 0.4886 0.154 Uiso 1 1 calc R . .
H50B H 0.1943 0.4142 0.5312 0.154 Uiso 1 1 calc R . .
H50C H 0.2310 0.3243 0.5275 0.154 Uiso 1 1 calc R . .
C51 C 0.2904(7) 0.4203(8) 0.6368(5) 0.068(4) Uani 1 1 d . . .
H51A H 0.2351 0.4415 0.6439 0.103 Uiso 1 1 calc R . .
H51B H 0.3327 0.4531 0.6719 0.103 Uiso 1 1 calc R . .
H51C H 0.2875 0.3585 0.6316 0.103 Uiso 1 1 calc R . .
C52 C 0.6384(6) 0.4879(7) 0.6173(5) 0.042(3) Uani 1 1 d . . .
H52 H 0.6241 0.5406 0.6499 0.051 Uiso 1 1 calc R . .
C53 C 0.7050(6) 0.4480(8) 0.6465(5) 0.056(3) Uani 1 1 d . . .
H53A H 0.7529 0.4917 0.6674 0.084 Uiso 1 1 calc R . .
H53B H 0.7243 0.3993 0.6149 0.084 Uiso 1 1 calc R . .
H53C H 0.6813 0.4270 0.6761 0.084 Uiso 1 1 calc R . .
C54 C 0.6754(7) 0.5183(7) 0.5693(5) 0.056(3) Uani 1 1 d . . .
H54A H 0.6336 0.5482 0.5523 0.084 Uiso 1 1 calc R . .
H54B H 0.6897 0.4679 0.5365 0.084 Uiso 1 1 calc R . .
H54C H 0.7265 0.5582 0.5888 0.084 Uiso 1 1 calc R . .
C55 C 0.2668(7) 0.6400(6) 0.7764(4) 0.036(2) Uani 1 1 d . . .
C56 C 0.3467(6) 0.6584(6) 0.7595(4) 0.038(3) Uani 1 1 d . . .
C57 C 0.3620(7) 0.7347(6) 0.7483(4) 0.040(3) Uani 1 1 d . . .
C58 C 0.3010(7) 0.7925(7) 0.7540(4) 0.044(3) Uani 1 1 d . . .
H58 H 0.3136 0.8453 0.7474 0.053 Uiso 1 1 calc R . .
C59 C 0.2250(7) 0.7763(6) 0.7686(5) 0.044(3) Uani 1 1 d . . .
H59 H 0.1841 0.8168 0.7717 0.053 Uiso 1 1 calc R . .
C60 C 0.2060(7) 0.6979(7) 0.7795(4) 0.043(3) Uani 1 1 d . . .
H60 H 0.1518 0.6851 0.7889 0.051 Uiso 1 1 calc R . .
C61 C 0.2501(6) 0.5589(6) 0.7894(4) 0.036(2) Uani 1 1 d . . .
H61A H 0.1943 0.5583 0.8037 0.043 Uiso 1 1 calc R . .
H61B H 0.2482 0.5082 0.7513 0.043 Uiso 1 1 calc R . .
C62 C 0.3010(6) 0.5411(6) 0.8891(4) 0.035(2) Uani 1 1 d . . .
H62 H 0.2477 0.5342 0.9020 0.042 Uiso 1 1 calc R . .
C63 C 0.3768(6) 0.5421(6) 0.9197(4) 0.034(2) Uani 1 1 d . . .
H63 H 0.3879 0.5368 0.9587 0.041 Uiso 1 1 calc R . .
C64 C 0.3980(6) 0.5591(6) 0.8308(4) 0.032(2) Uani 1 1 d . . .
C65 C 0.5268(5) 0.5653(6) 0.9073(4) 0.026(2) Uani 1 1 d . . .
C66 C 0.5683(6) 0.4927(6) 0.9079(4) 0.030(2) Uani 1 1 d . . .
C67 C 0.6514(6) 0.5090(6) 0.9381(4) 0.031(2) Uani 1 1 d . . .
H67 H 0.6826 0.4618 0.9389 0.037 Uiso 1 1 calc R . .
C68 C 0.6878(6) 0.5924(7) 0.9666(4) 0.037(3) Uani 1 1 d . . .
H68 H 0.7437 0.6021 0.9876 0.045 Uiso 1 1 calc R . .
C69 C 0.6459(6) 0.6625(7) 0.9656(4) 0.037(3) Uani 1 1 d . . .
H69 H 0.6735 0.7196 0.9851 0.045 Uiso 1 1 calc R . .
C70 C 0.5639(7) 0.6507(6) 0.9363(4) 0.038(3) Uani 1 1 d . . .
C71 C 0.5183(6) 0.7299(6) 0.9334(4) 0.041(3) Uani 1 1 d . . .
H71 H 0.4568 0.7104 0.9198 0.050 Uiso 1 1 calc R . .
C72 C 0.5510(7) 0.7624(7) 0.8873(5) 0.056(3) Uani 1 1 d . . .
H72A H 0.6119 0.7793 0.8988 0.083 Uiso 1 1 calc R . .
H72B H 0.5222 0.8128 0.8860 0.083 Uiso 1 1 calc R . .
H72C H 0.5404 0.7164 0.8470 0.083 Uiso 1 1 calc R . .
C73 C 0.5277(7) 0.8026(7) 0.9964(5) 0.058(3) Uani 1 1 d . . .
H73A H 0.5024 0.7809 1.0252 0.087 Uiso 1 1 calc R . .
H73B H 0.4989 0.8520 0.9928 0.087 Uiso 1 1 calc R . .
H73C H 0.5878 0.8212 1.0114 0.087 Uiso 1 1 calc R . .
C74 C 0.5256(6) 0.4008(6) 0.8803(4) 0.030(2) Uani 1 1 d . . .
H74 H 0.4737 0.4015 0.8526 0.037 Uiso 1 1 calc R . .
C75 C 0.5798(6) 0.3359(6) 0.8424(5) 0.044(3) Uani 1 1 d . . .
H75A H 0.5468 0.2791 0.8232 0.067 Uiso 1 1 calc R . .
H75B H 0.6294 0.3306 0.8689 0.067 Uiso 1 1 calc R . .
H75C H 0.5982 0.3560 0.8107 0.067 Uiso 1 1 calc R . .
C76 C 0.4980(6) 0.3683(7) 0.9296(5) 0.047(3) Uani 1 1 d . . .
H76A H 0.4649 0.3117 0.9102 0.070 Uiso 1 1 calc R . .
H76B H 0.4633 0.4099 0.9546 0.070 Uiso 1 1 calc R . .
H76C H 0.5479 0.3627 0.9556 0.070 Uiso 1 1 calc R . .
C77 C 0.8530(6) 0.6755(6) 0.7837(4) 0.032(2) Uani 1 1 d . . .
C78 C 0.7724(6) 0.6538(5) 0.7949(4) 0.029(2) Uani 1 1 d . . .
C79 C 0.7020(6) 0.6701(6) 0.7613(5) 0.045(3) Uani 1 1 d . . .
H79 H 0.6470 0.6549 0.7684 0.054 Uiso 1 1 calc R . .
C80 C 0.7108(6) 0.7078(6) 0.7181(5) 0.046(3) Uani 1 1 d . . .
H80 H 0.6624 0.7177 0.6950 0.056 Uiso 1 1 calc R . .
C81 C 0.8607(6) 0.7170(6) 0.7430(4) 0.036(3) Uani 1 1 d . . .
C82 C 0.7916(6) 0.7313(7) 0.7087(5) 0.042(3) Uani 1 1 d . . .
H82 H 0.7988 0.7570 0.6788 0.051 Uiso 1 1 calc R . .
C83 C 0.9500(6) 0.7486(6) 0.7358(4) 0.039(3) Uani 1 1 d . . .
H83A H 0.9810 0.6980 0.7170 0.047 Uiso 1 1 calc R . .
H83B H 0.9458 0.7830 0.7085 0.047 Uiso 1 1 calc R . .
C84 C 1.0528(6) 0.9140(6) 0.8716(5) 0.038(3) Uani 1 1 d . . .
H84 H 1.0754 0.9711 0.8968 0.045 Uiso 1 1 calc R . .
C85 C 1.0068(5) 0.7722(6) 0.8426(4) 0.030(2) Uani 1 1 d . . .
C86 C 1.0231(6) 0.8879(6) 0.8126(5) 0.036(3) Uani 1 1 d . . .
H86 H 1.0217 0.9225 0.7875 0.043 Uiso 1 1 calc R . .
C87 C 1.0700(6) 0.8489(6) 0.9525(4) 0.031(2) Uani 1 1 d . . .
C88 C 1.1569(6) 0.8605(6) 0.9733(5) 0.037(3) Uani 1 1 d . . .
C89 C 1.0079(6) 0.8487(6) 0.9892(5) 0.040(3) Uani 1 1 d . . .
C90 C 1.1809(7) 0.8786(7) 1.0363(6) 0.055(3) Uani 1 1 d . . .
H90 H 1.2390 0.8897 1.0529 0.066 Uiso 1 1 calc R . .
C91 C 1.1199(8) 0.8803(7) 1.0738(5) 0.055(3) Uani 1 1 d . . .
H91 H 1.1366 0.8918 1.1161 0.066 Uiso 1 1 calc R . .
C92 C 1.0366(7) 0.8657(7) 1.0511(5) 0.047(3) Uani 1 1 d . . .
H92 H 0.9963 0.8671 1.0781 0.056 Uiso 1 1 calc R . .
C93 C 1.2247(6) 0.8570(6) 0.9330(5) 0.043(3) Uani 1 1 d . . .
H93 H 1.1960 0.8368 0.8898 0.052 Uiso 1 1 calc R . .
C94 C 1.2861(7) 0.7913(7) 0.9373(5) 0.061(3) Uani 1 1 d . . .
H94A H 1.3214 0.8134 0.9773 0.092 Uiso 1 1 calc R . .
H94B H 1.3220 0.7821 0.9050 0.092 Uiso 1 1 calc R . .
H94C H 1.2544 0.7362 0.9324 0.092 Uiso 1 1 calc R . .
C95 C 1.2747(7) 0.9448(7) 0.9456(6) 0.063(3) Uani 1 1 d . . .
H95A H 1.3164 0.9376 0.9172 0.095 Uiso 1 1 calc R . .
H95B H 1.3038 0.9665 0.9877 0.095 Uiso 1 1 calc R . .
H95C H 1.2359 0.9863 0.9399 0.095 Uiso 1 1 calc R . .
C96 C 0.8788(6) 0.9041(7) 0.9469(5) 0.047(3) Uani 1 1 d . . .
H96A H 0.9109 0.9154 0.9168 0.070 Uiso 1 1 calc R . .
H96B H 0.8840 0.9564 0.9835 0.070 Uiso 1 1 calc R . .
H96C H 0.8192 0.8882 0.9293 0.070 Uiso 1 1 calc R . .
C97 C 0.9137(6) 0.8292(6) 0.9641(4) 0.038(3) Uani 1 1 d . . .
H97 H 0.9073 0.7769 0.9259 0.046 Uiso 1 1 calc R . .
C98 C 0.8593(7) 0.8086(7) 1.0071(5) 0.058(3) Uani 1 1 d . . .
H98A H 0.8023 0.7859 0.9854 0.086 Uiso 1 1 calc R . .
H98B H 0.8563 0.8615 1.0420 0.086 Uiso 1 1 calc R . .
H98C H 0.8840 0.7649 1.0217 0.086 Uiso 1 1 calc R . .
C99 C 0.7593(6) 0.6081(6) 0.8382(5) 0.042(3) Uani 1 1 d . . .
H99A H 0.7777 0.6483 0.8806 0.050 Uiso 1 1 calc R . .
H99B H 0.6985 0.5895 0.8343 0.050 Uiso 1 1 calc R . .
C100 C 0.8903(6) 0.5366(6) 0.8218(4) 0.035(2) Uani 1 1 d . . .
C101 C 0.7701(7) 0.4487(7) 0.8108(5) 0.042(3) Uani 1 1 d . . .
H101 H 0.7125 0.4300 0.8093 0.051 Uiso 1 1 calc R . .
C102 C 0.8331(7) 0.4006(8) 0.7991(5) 0.058(3) Uani 1 1 d . . .
H102 H 0.8294 0.3393 0.7884 0.069 Uiso 1 1 calc R . .
C103 C 0.9857(7) 0.4196(6) 0.7908(6) 0.044(3) Uani 1 1 d . . .
C104 C 1.0092(7) 0.4115(6) 0.7354(6) 0.045(3) Uani 1 1 d . . .
C105 C 1.0820(8) 0.3697(8) 0.7178(7) 0.071(4) Uani 1 1 d . . .
H105 H 1.1005 0.3645 0.6798 0.085 Uiso 1 1 calc R . .
C106 C 1.1253(8) 0.3368(8) 0.7580(6) 0.060(3) Uani 1 1 d . . .
H106 H 1.1739 0.3078 0.7471 0.072 Uiso 1 1 calc R . .
C107 C 1.1000(8) 0.3450(8) 0.8120(7) 0.068(4) Uani 1 1 d . . .
H107 H 1.1324 0.3223 0.8384 0.082 Uiso 1 1 calc R . .
C108 C 1.0297(7) 0.3843(7) 0.8310(6) 0.059(3) Uani 1 1 d . . .
C109 C 0.9629(7) 0.4474(7) 0.6898(5) 0.055(3) Uani 1 1 d . . .
H109 H 0.9147 0.4761 0.7092 0.066 Uiso 1 1 calc R . .
C110 C 0.9240(7) 0.3748(8) 0.6303(6) 0.075(4) Uani 1 1 d . . .
H11C H 0.8775 0.3411 0.6386 0.113 Uiso 1 1 calc R . .
H11D H 0.9672 0.3366 0.6142 0.113 Uiso 1 1 calc R . .
H11E H 0.9024 0.4004 0.6003 0.113 Uiso 1 1 calc R . .
C111 C 1.0152(8) 0.5162(8) 0.6758(6) 0.081(4) Uani 1 1 d . . .
H11F H 0.9792 0.5408 0.6506 0.122 Uiso 1 1 calc R . .
H11G H 1.0610 0.4899 0.6537 0.122 Uiso 1 1 calc R . .
H11H H 1.0392 0.5624 0.7142 0.122 Uiso 1 1 calc R . .
C112 C 1.0801(8) 0.4255(9) 0.9453(6) 0.079(4) Uani 1 1 d . . .
H11I H 1.1225 0.3840 0.9353 0.119 Uiso 1 1 calc R . .
H11J H 1.0609 0.4277 0.9839 0.119 Uiso 1 1 calc R . .
H11K H 1.1049 0.4832 0.9493 0.119 Uiso 1 1 calc R . .
C113 C 0.9608(9) 0.3093(10) 0.8931(7) 0.107(5) Uani 1 1 d . . .
H11L H 0.9398 0.3179 0.9321 0.161 Uiso 1 1 calc R . .
H11M H 1.0014 0.2656 0.8865 0.161 Uiso 1 1 calc R . .
H11N H 0.9134 0.2893 0.8598 0.161 Uiso 1 1 calc R . .
C114 C 1.0051(7) 0.3967(8) 0.8944(6) 0.063(3) Uani 1 1 d . . .
H114 H 0.9641 0.4416 0.9038 0.075 Uiso 1 1 calc R . .
N1 N 0.4831(4) 0.1987(4) 0.6727(3) 0.0293(18) Uani 1 1 d . . .
N2 N 0.5694(5) 0.1022(4) 0.6697(3) 0.0310(19) Uani 1 1 d . . .
N3 N 0.2652(5) 0.0132(5) 0.7618(3) 0.0330(19) Uani 1 1 d . . .
N4 N 0.2036(4) -0.0506(5) 0.6700(3) 0.0314(19) Uani 1 1 d . . .
N5 N 0.4629(4) 0.6813(5) 0.6780(3) 0.0309(19) Uani 1 1 d . . .
N6 N 0.4743(5) 0.5507(5) 0.6219(3) 0.0319(19) Uani 1 1 d . . .
N7 N 0.3147(5) 0.5519(5) 0.8355(3) 0.0284(18) Uani 1 1 d . . .
N8 N 0.4365(4) 0.5525(5) 0.8831(3) 0.0288(19) Uani 1 1 d . . .
N9 N 0.9948(4) 0.8010(5) 0.7944(3) 0.0304(19) Uani 1 1 d . . .
N10 N 1.0447(4) 0.8422(5) 0.8899(4) 0.0294(19) Uani 1 1 d . . .
N11 N 0.8068(5) 0.5329(5) 0.8258(3) 0.035(2) Uani 1 1 d . . .
N12 N 0.9067(5) 0.4541(5) 0.8047(4) 0.042(2) Uani 1 1 d . . .
Pd1 Pd 0.38374(4) 0.04565(4) 0.68107(3) 0.0292(2) Uani 1 1 d . . .
Pd2 Pd 0.43711(5) 0.57566(5) 0.75525(3) 0.0300(2) Uani 1 1 d . . .
Pd3 Pd 0.95612(4) 0.65181(5) 0.83436(3) 0.0317(2) Uani 1 1 d . . .
Br1 Br 0.40780(6) -0.09810(6) 0.60457(5) 0.0393(3) Uani 1 1 d . . .
Br2 Br 0.54501(6) 0.47018(6) 0.74880(5) 0.0412(3) Uani 1 1 d . . .
Br3 Br 1.07985(6) 0.62401(7) 0.89842(5) 0.0452(3) Uani 1 1 d . . .
O1 O 0.9217(7) 0.9311(8) 0.6681(6) 0.095(3) Uani 1 1 d . . .
C201 C 0.9335(15) 0.8172(17) 0.5782(10) 0.169(12) Uani 1 1 d . . .
H20A H 0.9170 0.7987 0.5339 0.254 Uiso 1 1 calc R . .
H20B H 0.9154 0.7707 0.5926 0.254 Uiso 1 1 calc R . .
H20C H 0.9950 0.8299 0.5878 0.254 Uiso 1 1 calc R . .
C200 C 0.8975(12) 0.8871(16) 0.6053(12) 0.133(8) Uani 1 1 d . . .
H20D H 0.8358 0.8707 0.5986 0.160 Uiso 1 1 calc R . .
H20E H 0.9076 0.9287 0.5842 0.160 Uiso 1 1 calc R . .
C203 C 0.9070(15) 1.0505(18) 0.7555(8) 0.214(15) Uani 1 1 d . . .
H20F H 0.8761 1.1018 0.7702 0.321 Uiso 1 1 calc R . .
H20G H 0.9673 1.0689 0.7598 0.321 Uiso 1 1 calc R . .
H20H H 0.8987 1.0133 0.7796 0.321 Uiso 1 1 calc R . .
C202 C 0.8758(12) 1.0027(17) 0.6918(11) 0.147(8) Uani 1 1 d . . .
H20I H 0.8154 0.9821 0.6877 0.177 Uiso 1 1 calc R . .
H20J H 0.8804 1.0416 0.6679 0.177 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 C1 N1 105.8(6) . . ?
N2 C1 Pd1 133.1(6) . . ?
N1 C1 Pd1 120.8(5) . . ?
C3 C2 N2 107.6(8) . . ?
C2 C3 N1 106.7(8) . . ?
N1 C4 C5 109.4(7) . . ?
C10 C5 C6 119.6(9) . . ?
C10 C5 C4 120.3(9) . . ?
C6 C5 C4 120.1(8) . . ?
C7 C6 C5 118.0(8) . . ?
C7 C6 Pd1 120.2(7) . . ?
C5 C6 Pd1 121.8(7) . . ?
C6 C7 C8 122.0(9) . . ?
C6 C7 C11 118.4(9) . . ?
C8 C7 C11 119.5(9) . . ?
C9 C8 C7 119.3(10) . . ?
C10 C9 C8 119.2(10) . . ?
C9 C10 C5 121.8(10) . . ?
N3 C11 C7 108.5(7) . . ?
N3 C12 C13 105.7(7) . . ?
C12 C13 N4 107.2(7) . . ?
N4 C14 N3 103.5(6) . . ?
N4 C14 Pd1 135.3(6) . . ?
N3 C14 Pd1 120.8(5) . . ?
C16 C15 C20 123.4(9) . . ?
C16 C15 N4 118.7(8) . . ?
C20 C15 N4 117.6(8) . . ?
C17 C16 C15 116.5(9) . . ?
C17 C16 C24 120.4(9) . . ?
C15 C16 C24 123.0(8) . . ?
C18 C17 C16 122.4(10) . . ?
C17 C18 C19 119.4(10) . . ?
C18 C19 C20 122.2(10) . . ?
C19 C20 C15 116.1(9) . . ?
C19 C20 C21 121.1(9) . . ?
C15 C20 C21 122.8(9) . . ?
C23 C21 C20 114.0(9) . . ?
C23 C21 C22 110.0(9) . . ?
C20 C21 C22 110.0(8) . . ?
C16 C24 C25 111.7(8) . . ?
C16 C24 C26 112.2(8) . . ?
C25 C24 C26 110.7(8) . . ?
C28 C27 C32 123.4(9) . . ?
C28 C27 N2 118.6(8) . . ?
C32 C27 N2 118.0(7) . . ?
C27 C28 C29 117.3(9) . . ?
C27 C28 C36 122.8(9) . . ?
C29 C28 C36 119.8(9) . . ?
C30 C29 C28 120.6(9) . . ?
C31 C30 C29 120.0(9) . . ?
C30 C31 C32 122.2(10) . . ?
C31 C32 C27 116.0(9) . . ?
C31 C32 C33 120.6(9) . . ?
C27 C32 C33 123.4(8) . . ?
C32 C33 C34 112.8(7) . . ?
C32 C33 C35 110.6(8) . . ?
C34 C33 C35 109.6(8) . . ?
C37 C36 C28 115.8(9) . . ?
C37 C36 C38 109.0(9) . . ?
C28 C36 C38 110.2(8) . . ?
N5 C39 N6 104.2(6) . . ?
N5 C39 Pd2 120.1(6) . . ?
N6 C39 Pd2 135.5(5) . . ?
C41 C40 N6 107.8(8) . . ?
C40 C41 N5 105.3(7) . . ?
N5 C42 C57 108.1(7) . . ?
C44 C43 C48 123.6(9) . . ?
C44 C43 N6 117.1(8) . . ?
C48 C43 N6 118.8(8) . . ?
C43 C44 C45 116.7(10) . . ?
C43 C44 C52 123.6(9) . . ?
C45 C44 C52 119.7(10) . . ?
C46 C45 C44 122.5(11) . . ?
C45 C46 C47 118.5(10) . . ?
C48 C47 C46 121.8(11) . . ?
C47 C48 C43 116.8(10) . . ?
C47 C48 C49 119.1(10) . . ?
C43 C48 C49 124.0(9) . . ?
C51 C49 C50 108.3(9) . . ?
C51 C49 C48 109.4(9) . . ?
C50 C49 C48 114.0(11) . . ?
C44 C52 C53 114.7(9) . . ?
C44 C52 C54 110.2(8) . . ?
C53 C52 C54 109.1(8) . . ?
C60 C55 C56 119.1(9) . . ?
C60 C55 C61 121.5(8) . . ?
C56 C55 C61 119.4(8) . . ?
C57 C56 C55 118.9(9) . . ?
C57 C56 Pd2 121.0(8) . . ?
C55 C56 Pd2 120.0(7) . . ?
C56 C57 C58 120.4(10) . . ?
C56 C57 C42 120.7(9) . . ?
C58 C57 C42 118.8(9) . . ?
C59 C58 C57 122.1(10) . . ?
C58 C59 C60 119.3(10) . . ?
C55 C60 C59 120.1(10) . . ?
N7 C61 C55 111.4(6) . . ?
C63 C62 N7 106.8(8) . . ?
C62 C63 N8 106.7(8) . . ?
N7 C64 N8 104.1(8) . . ?
N7 C64 Pd2 120.3(7) . . ?
N8 C64 Pd2 135.6(7) . . ?
C70 C65 C66 123.0(9) . . ?
C70 C65 N8 117.7(8) . . ?
C66 C65 N8 118.7(8) . . ?
C65 C66 C67 116.8(8) . . ?
C65 C66 C74 122.8(8) . . ?
C67 C66 C74 120.4(8) . . ?
C68 C67 C66 120.4(9) . . ?
C67 C68 C69 121.9(9) . . ?
C68 C69 C70 120.5(9) . . ?
C69 C70 C65 117.5(9) . . ?
C69 C70 C71 120.1(9) . . ?
C65 C70 C71 122.3(9) . . ?
C72 C71 C73 110.9(8) . . ?
C72 C71 C70 109.9(9) . . ?
C73 C71 C70 111.6(8) . . ?
C66 C74 C75 113.9(7) . . ?
C66 C74 C76 111.3(8) . . ?
C75 C74 C76 108.6(8) . . ?
C81 C77 C78 119.0(9) . . ?
C81 C77 Pd3 122.5(7) . . ?
C78 C77 Pd3 118.4(7) . . ?
C79 C78 C77 119.0(8) . . ?
C79 C78 C99 119.0(8) . . ?
C77 C78 C99 121.9(9) . . ?
C80 C79 C78 121.1(9) . . ?
C79 C80 C82 119.2(10) . . ?
C77 C81 C82 122.0(9) . . ?
C77 C81 C83 118.4(9) . . ?
C82 C81 C83 119.6(8) . . ?
C81 C82 C80 119.5(9) . . ?
N9 C83 C81 109.9(8) . . ?
C86 C84 N10 107.5(9) . . ?
N10 C85 N9 104.6(8) . . ?
N10 C85 Pd3 134.5(7) . . ?
N9 C85 Pd3 120.4(7) . . ?
C84 C86 N9 107.2(9) . . ?
C89 C87 C88 123.9(9) . . ?
C89 C87 N10 118.8(9) . . ?
C88 C87 N10 117.2(8) . . ?
C87 C88 C90 116.9(9) . . ?
C87 C88 C93 124.2(9) . . ?
C90 C88 C93 119.0(9) . . ?
C87 C89 C92 115.9(10) . . ?
C87 C89 C97 122.7(9) . . ?
C92 C89 C97 121.4(9) . . ?
C91 C90 C88 119.9(10) . . ?
C92 C91 C90 121.1(11) . . ?
C91 C92 C89 122.2(10) . . ?
C88 C93 C94 111.6(9) . . ?
C88 C93 C95 114.2(9) . . ?
C94 C93 C95 109.0(8) . . ?
C98 C97 C89 113.9(8) . . ?
C98 C97 C96 108.6(8) . . ?
C89 C97 C96 111.8(8) . . ?
N11 C99 C78 110.6(8) . . ?
N12 C100 N11 103.9(9) . . ?
N12 C100 Pd3 135.8(8) . . ?
N11 C100 Pd3 120.1(7) . . ?
C102 C101 N11 104.3(9) . . ?
C101 C102 N12 109.0(10) . . ?
C104 C103 C108 122.1(11) . . ?
C104 C103 N12 118.4(10) . . ?
C108 C103 N12 118.9(11) . . ?
C103 C104 C105 119.7(11) . . ?
C103 C104 C109 124.1(10) . . ?
C105 C104 C109 116.2(12) . . ?
C106 C105 C104 117.5(13) . . ?
C107 C106 C105 121.4(12) . . ?
C106 C107 C108 123.4(13) . . ?
C107 C108 C103 115.8(13) . . ?
C107 C108 C114 122.1(12) . . ?
C103 C108 C114 121.9(11) . . ?
C111 C109 C110 110.4(10) . . ?
C111 C109 C104 114.7(10) . . ?
C110 C109 C104 112.0(9) . . ?
C112 C114 C108 113.4(10) . . ?
C112 C114 C113 108.8(10) . . ?
C108 C114 C113 108.8(11) . . ?
C1 N1 C3 111.0(6) . . ?
C1 N1 C4 123.9(5) . . ?
C3 N1 C4 125.0(5) . . ?
C1 N2 C2 108.8(6) . . ?
C1 N2 C27 125.5(5) . . ?
C2 N2 C27 125.4(5) . . ?
C12 N3 C14 112.9(6) . . ?
C12 N3 C11 126.8(6) . . ?
C14 N3 C11 118.7(5) . . ?
C14 N4 C13 110.4(6) . . ?
C14 N4 C15 128.5(5) . . ?
C13 N4 C15 120.2(5) . . ?
C39 N5 C41 112.4(6) . . ?
C39 N5 C42 123.9(5) . . ?
C41 N5 C42 123.6(5) . . ?
C39 N6 C40 110.2(5) . . ?
C39 N6 C43 129.5(5) . . ?
C40 N6 C43 120.2(5) . . ?
C64 N7 C62 111.8(8) . . ?
C64 N7 C61 122.4(8) . . ?
C62 N7 C61 125.8(8) . . ?
C64 N8 C63 110.5(8) . . ?
C64 N8 C65 129.4(8) . . ?
C63 N8 C65 119.6(7) . . ?
C85 N9 C86 110.5(8) . . ?
C85 N9 C83 123.0(8) . . ?
C86 N9 C83 126.2(8) . . ?
C85 N10 C84 110.1(8) . . ?
C85 N10 C87 128.1(8) . . ?
C84 N10 C87 121.7(8) . . ?
C100 N11 C101 112.8(8) . . ?
C100 N11 C99 123.3(8) . . ?
C101 N11 C99 123.6(8) . . ?
C100 N12 C102 110.0(9) . . ?
C100 N12 C103 127.7(8) . . ?
C102 N12 C103 122.2(8) . . ?
C6 Pd1 C14 84.9(4) . . ?
C6 Pd1 C1 84.8(3) . . ?
C14 Pd1 C1 169.8(4) . . ?
C6 Pd1 Br1 177.7(3) . . ?
C14 Pd1 Br1 92.9(2) . . ?
C1 Pd1 Br1 97.3(2) . . ?
C56 Pd2 C39 85.5(4) . . ?
C56 Pd2 C64 87.0(3) . . ?
C39 Pd2 C64 172.4(3) . . ?
C56 Pd2 Br2 178.3(3) . . ?
C39 Pd2 Br2 94.8(2) . . ?
C64 Pd2 Br2 92.5(3) . . ?
C100 Pd3 C85 172.1(4) . . ?
C100 Pd3 C77 86.2(4) . . ?
C85 Pd3 C77 86.0(4) . . ?
C100 Pd3 Br3 93.5(3) . . ?
C85 Pd3 Br3 94.2(3) . . ?
C77 Pd3 Br3 178.6(3) . . ?
C200 O1 C202 112.7(17) . . ?
C201 C200 O1 119(2) . . ?
O1 C202 C203 111.1(17) . . ?
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
C1 N2 1.346(9) . ?
C1 N1 1.349(9) . ?
C1 Pd1 2.057(9) . ?
C2 C3 1.325(12) . ?
C2 N2 1.412(8) . ?
C3 N1 1.379(9) . ?
C4 N1 1.453(9) . ?
C4 C5 1.516(13) . ?
C5 C10 1.395(13) . ?
C5 C6 1.406(12) . ?
C6 C7 1.392(12) . ?
C6 Pd1 2.021(9) . ?
C7 C8 1.401(12) . ?
C7 C11 1.511(13) . ?
C8 C9 1.390(13) . ?
C9 C10 1.383(14) . ?
C11 N3 1.472(9) . ?
C12 N3 1.350(9) . ?
C12 C13 1.367(12) . ?
C13 N4 1.385(9) . ?
C14 N4 1.361(9) . ?
C14 N3 1.368(10) . ?
C14 Pd1 2.039(9) . ?
C15 C16 1.393(12) . ?
C15 C20 1.410(12) . ?
C15 N4 1.444(9) . ?
C16 C17 1.378(13) . ?
C16 C24 1.520(13) . ?
C17 C18 1.372(13) . ?
C18 C19 1.374(13) . ?
C19 C20 1.383(13) . ?
C20 C21 1.506(13) . ?
C21 C23 1.478(13) . ?
C21 C22 1.545(14) . ?
C24 C25 1.522(13) . ?
C24 C26 1.524(13) . ?
C27 C28 1.397(12) . ?
C27 C32 1.404(12) . ?
C27 N2 1.425(9) . ?
C28 C29 1.404(13) . ?
C28 C36 1.513(13) . ?
C29 C30 1.382(13) . ?
C30 C31 1.380(13) . ?
C31 C32 1.397(13) . ?
C32 C33 1.510(12) . ?
C33 C34 1.521(12) . ?
C33 C35 1.545(12) . ?
C36 C37 1.512(13) . ?
C36 C38 1.542(14) . ?
C39 N5 1.351(8) . ?
C39 N6 1.353(9) . ?
C39 Pd2 2.037(9) . ?
C40 C41 1.342(12) . ?
C40 N6 1.391(9) . ?
C41 N5 1.382(9) . ?
C42 N5 1.465(9) . ?
C42 C57 1.527(13) . ?
C43 C44 1.376(13) . ?
C43 C48 1.411(13) . ?
C43 N6 1.449(9) . ?
C44 C45 1.403(14) . ?
C44 C52 1.496(14) . ?
C45 C46 1.377(15) . ?
C46 C47 1.399(15) . ?
C47 C48 1.384(14) . ?
C48 C49 1.548(14) . ?
C49 C51 1.476(15) . ?
C49 C50 1.545(16) . ?
C52 C53 1.503(13) . ?
C52 C54 1.541(13) . ?
C55 C60 1.389(12) . ?
C55 C56 1.429(13) . ?
C55 C61 1.484(9) . ?
C56 C57 1.382(13) . ?
C56 Pd2 2.029(10) . ?
C57 C58 1.386(13) . ?
C58 C59 1.338(13) . ?
C59 C60 1.423(13) . ?
C61 N7 1.451(11) . ?
C62 C63 1.336(12) . ?
C62 N7 1.370(11) . ?
C63 N8 1.395(11) . ?
C64 N7 1.352(11) . ?
C64 N8 1.355(11) . ?
C64 Pd2 2.044(10) . ?
C65 C70 1.399(12) . ?
C65 C66 1.401(12) . ?
C65 N8 1.469(11) . ?
C66 C67 1.403(12) . ?
C66 C74 1.515(12) . ?
C67 C68 1.368(13) . ?
C68 C69 1.372(13) . ?
C69 C70 1.384(13) . ?
C70 C71 1.545(13) . ?
C71 C72 1.493(13) . ?
C71 C73 1.539(13) . ?
C74 C75 1.520(12) . ?
C74 C76 1.529(12) . ?
C77 C81 1.364(12) . ?
C77 C78 1.399(12) . ?
C77 Pd3 2.059(9) . ?
C78 C79 1.395(12) . ?
C78 C99 1.482(13) . ?
C79 C80 1.374(13) . ?
C80 C82 1.392(13) . ?
C81 C82 1.373(12) . ?
C81 C83 1.542(13) . ?
C83 N9 1.433(11) . ?
C84 C86 1.325(13) . ?
C84 N10 1.393(11) . ?
C85 N10 1.354(11) . ?
C85 N9 1.369(11) . ?
C85 Pd3 2.037(10) . ?
C86 N9 1.379(11) . ?
C87 C89 1.389(13) . ?
C87 C88 1.402(12) . ?
C87 N10 1.445(11) . ?
C88 C90 1.409(14) . ?
C88 C93 1.509(13) . ?
C89 C92 1.401(14) . ?
C89 C97 1.532(13) . ?
C90 C91 1.383(15) . ?
C91 C92 1.356(14) . ?
C93 C94 1.521(14) . ?
C93 C95 1.532(14) . ?
C96 C97 1.537(13) . ?
C97 C98 1.514(13) . ?
C99 N11 1.450(11) . ?
C100 N12 1.329(11) . ?
C100 N11 1.350(11) . ?
C100 Pd3 2.031(10) . ?
C101 C102 1.311(13) . ?
C101 N11 1.387(11) . ?
C102 N12 1.397(12) . ?
C103 C104 1.362(14) . ?
C103 C108 1.414(15) . ?
C103 N12 1.439(12) . ?
C104 C105 1.415(15) . ?
C104 C109 1.533(15) . ?
C105 C106 1.382(16) . ?
C106 C107 1.340(16) . ?
C107 C108 1.371(15) . ?
C108 C114 1.532(17) . ?
C109 C111 1.519(16) . ?
C109 C110 1.532(14) . ?
C112 C114 1.524(15) . ?
C113 C114 1.559(16) . ?
Pd1 Br1 2.5153(12) . ?
Pd2 Br2 2.4957(12) . ?
Pd3 Br3 2.5105(13) . ?
O1 C200 1.40(2) . ?
O1 C202 1.41(2) . ?
C201 C200 1.31(2) . ?
C203 C202 1.45(2) . ?
