#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/50/2225041.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2225041
loop_
_publ_author_name
'Cheng, Guan-Jun'
'Wei, Wei'
'Zhou, Chuang'
'Luo, Mei-Ming'
_publ_section_title
(Bis{2-[3-(2,4,6-trimethylbenzyl)imidazolin-2-yliden-1-yl-κC²]-4-methylphenyl}amido-κN)chloridopalladium(II)
_journal_coeditor_code           KJ2138
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m198
_journal_paper_doi               10.1107/S1600536810002382
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pd (C40 H42 N5) Cl]'
_chemical_formula_moiety         'C40 H42 Cl N5 Pd'
_chemical_formula_sum            'C40 H42 Cl N5 Pd'
_chemical_formula_weight         734.64
_chemical_name_common            cgj
_chemical_name_systematic
;
(Bis{2-[3-(2,4,6-trimethylbenzyl)imidazolin-2-yliden-1-yl-κC²]-
4-methylphenyl}amido-κN)chloridopalladium(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.87(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.077(4)
_cell_length_b                   28.784(10)
_cell_length_c                   10.269(3)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      5.89
_cell_measurement_theta_min      4.48
_cell_volume                     4072(2)
_computing_cell_refinement       'NRCVAX (Gabe et al.,  1989)'
_computing_data_collection       'DIFRAC (Gabe et al.,  1993)'
_computing_data_reduction        'NRCVAX (Gabe et al.,  1989)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       Omega/2-Theta
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0044
_diffrn_reflns_av_sigmaI/netI    0.1085
_diffrn_reflns_limit_h_max       4
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            8356
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.41
_diffrn_standards_decay_%        0.378
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.552
_exptl_absorpt_correction_T_max  0.9840
_exptl_absorpt_correction_T_min  0.9419
_exptl_absorpt_correction_type   sphere
_exptl_absorpt_process_details   '(Farrugia, 1999)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.198
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1688
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.911
_refine_diff_density_min         -0.678
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         7268
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.969
_refine_ls_R_factor_all          0.1424
_refine_ls_R_factor_gt           0.0555
_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)+(0.0702P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1251
_refine_ls_wR_factor_ref         0.1477
_reflns_number_gt                3639
_reflns_number_total             7268
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            kj2138.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C40 H42 Cl N5  Pd'
_cod_database_code               2225041
_cod_database_fobs_code          2225041
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd Pd1 0.97388(4) 0.876856(14) 0.49293(4) 0.03970(15) Uani d . 1 . .
Cl Cl1 0.96935(11) 0.88082(5) 0.26123(13) 0.0465(4) Uani d . 1 . .
N N1 0.8431(3) 0.96410(15) 0.4282(4) 0.0379(11) Uani d . 1 . .
N N2 0.9465(3) 0.96814(16) 0.6151(5) 0.0405(12) Uani d . 1 . .
N N3 0.9755(4) 0.87133(16) 0.6870(4) 0.0482(13) Uani d . 1 . .
N N4 0.9972(4) 0.77978(16) 0.5871(5) 0.0476(13) Uani d . 1 . .
N N5 1.0988(4) 0.79004(17) 0.4595(5) 0.0523(14) Uani d . 1 . .
C C1 0.6102(5) 0.9848(2) 0.2470(6) 0.0542(17) Uani d . 1 . .
C C2 0.5148(6) 0.9890(3) 0.2617(8) 0.078(2) Uani d . 1 . .
H H2 0.4750 1.0109 0.2106 0.094 Uiso calc R 1 . .
C C3 0.4774(6) 0.9622(3) 0.3481(9) 0.079(2) Uani d . 1 . .
C C4 0.5357(6) 0.9316(3) 0.4254(8) 0.082(2) Uani d . 1 . .
H H4 0.5108 0.9139 0.4863 0.098 Uiso calc R 1 . .
C C5 0.6326(5) 0.9259(2) 0.4164(7) 0.0624(19) Uani d . 1 . .
C C6 0.6697(5) 0.9525(2) 0.3235(6) 0.0495(16) Uani d . 1 . .
C C7 0.6444(6) 1.0151(3) 0.1469(7) 0.080(2) Uani d . 1 . .
H H7A 0.6493 0.9970 0.0702 0.120 Uiso calc R 1 . .
H H7B 0.7069 1.0279 0.1857 0.120 Uiso calc R 1 . .
H H7C 0.5989 1.0400 0.1209 0.120 Uiso calc R 1 . .
C C8 0.3729(6) 0.9674(4) 0.3621(10) 0.124(4) Uani d . 1 . .
H H8A 0.3391 0.9386 0.3394 0.186 Uiso calc R 1 . .
H H8B 0.3422 0.9915 0.3034 0.186 Uiso calc R 1 . .
H H8C 0.3712 0.9755 0.4523 0.186 Uiso calc R 1 . .
C C9 0.6969(7) 0.8911(3) 0.5102(9) 0.096(3) Uani d . 1 . .
H H9A 0.7301 0.9071 0.5885 0.145 Uiso calc R 1 . .
H H9B 0.7437 0.8777 0.4652 0.145 Uiso calc R 1 . .
H H9C 0.6570 0.8671 0.5351 0.145 Uiso calc R 1 . .
C C10 0.7742(4) 0.9455(2) 0.3112(5) 0.0429(14) Uani d . 1 . .
H H10A 0.7864 0.9126 0.3023 0.052 Uiso calc R 1 . .
H H10B 0.7848 0.9610 0.2315 0.052 Uiso calc R 1 . .
C C11 0.9146(4) 0.94019(18) 0.5071(5) 0.0352(13) Uani d . 1 . .
C C12 0.8313(5) 1.00615(19) 0.4843(6) 0.0426(15) Uani d . 1 . .
H H12 0.7866 1.0288 0.4478 0.051 Uiso calc R 1 . .
C C13 0.8939(4) 1.0093(2) 0.5991(6) 0.0440(15) Uani d . 1 . .
H H13 0.9012 1.0342 0.6579 0.053 Uiso calc R 1 . .
C C14 1.0110(4) 0.9543(2) 0.7358(5) 0.0412(14) Uani d . 1 . .
C C15 1.0561(4) 0.98854(19) 0.8193(5) 0.0400(14) Uani d . 1 . .
H H15 1.0522 1.0191 0.7891 0.048 Uiso calc R 1 . .
C C16 1.1071(4) 0.9792(2) 0.9466(6) 0.0447(15) Uani d . 1 . .
C C17 1.1103(5) 0.9332(2) 0.9870(6) 0.0534(17) Uani d . 1 . .
H H17 1.1414 0.9258 1.0734 0.064 Uiso calc R 1 . .
C C18 1.0692(5) 0.8985(2) 0.9038(6) 0.0617(19) Uani d . 1 . .
H H18 1.0765 0.8679 0.9333 0.074 Uiso calc R 1 . .
C C19 1.0152(5) 0.90776(18) 0.7723(6) 0.0441(15) Uani d . 1 . .
C C20 1.1546(5) 1.0174(2) 1.0386(6) 0.0592(18) Uani d . 1 . .
H H20A 1.1533 1.0093 1.1289 0.089 Uiso calc R 1 . .
H H20B 1.1200 1.0460 1.0158 0.089 Uiso calc R 1 . .
H H20C 1.2207 1.0211 1.0295 0.089 Uiso calc R 1 . .
C C21 0.9322(5) 0.83385(19) 0.7331(6) 0.0470(16) Uani d . 1 . .
C C22 0.9355(5) 0.7888(2) 0.6780(6) 0.0480(16) Uani d . 1 . .
C C23 0.8818(5) 0.7527(2) 0.7169(7) 0.0576(18) Uani d . 1 . .
H H23 0.8833 0.7238 0.6769 0.069 Uiso calc R 1 . .
C C24 0.8265(5) 0.7579(2) 0.8117(7) 0.0601(19) Uani d . 1 . .
C C25 0.8241(5) 0.8026(2) 0.8685(7) 0.0613(19) Uani d . 1 . .
H H25 0.7878 0.8077 0.9333 0.074 Uiso calc R 1 . .
C C26 0.8754(5) 0.8384(2) 0.8281(6) 0.0570(18) Uani d . 1 . .
H H26 0.8719 0.8675 0.8665 0.068 Uiso calc R 1 . .
C C27 0.7706(5) 0.7178(3) 0.8530(8) 0.084(3) Uani d . 1 . .
H H27A 0.7265 0.7057 0.7765 0.127 Uiso calc R 1 . .
H H27B 0.7346 0.7282 0.9174 0.127 Uiso calc R 1 . .
H H27C 0.8150 0.6938 0.8914 0.127 Uiso calc R 1 . .
C C28 1.0308(5) 0.81238(19) 0.5116(6) 0.0462(14) Uani d . 1 . .
C C29 1.1045(5) 0.7433(2) 0.4970(7) 0.063(2) Uani d . 1 . .
H H29 1.1447 0.7209 0.4718 0.076 Uiso calc R 1 . .
C C30 1.0412(5) 0.7370(2) 0.5758(7) 0.063(2) Uani d . 1 . .
H H30 1.0287 0.7093 0.6157 0.075 Uiso calc R 1 . .
C C31 1.1649(5) 0.8126(3) 0.3852(6) 0.064(2) Uani d . 1 . .
H H31A 1.1484 0.8453 0.3745 0.076 Uiso calc R 1 . .
H H31B 1.1558 0.7989 0.2973 0.076 Uiso calc R 1 . .
C C32 1.2715(5) 0.8080(3) 0.4546(7) 0.0626(19) Uani d . 1 . .
C C33 1.3107(6) 0.8376(2) 0.5567(8) 0.0652(19) Uani d . 1 . .
C C34 1.4079(6) 0.8326(3) 0.6198(9) 0.081(3) Uani d . 1 . .
H H34 1.4348 0.8527 0.6885 0.097 Uiso calc R 1 . .
C C35 1.4637(7) 0.7986(4) 0.5818(11) 0.097(3) Uani d . 1 . .
C C36 1.4247(7) 0.7711(4) 0.4771(10) 0.097(3) Uani d . 1 . .
H H36 1.4645 0.7494 0.4476 0.117 Uiso calc R 1 . .
C C37 1.3280(7) 0.7739(3) 0.4119(8) 0.089(3) Uani d . 1 . .
C C38 1.2505(7) 0.8746(3) 0.6079(9) 0.102(3) Uani d . 1 . .
H H38A 1.2098 0.8899 0.5339 0.153 Uiso calc R 1 . .
H H38B 1.2928 0.8969 0.6599 0.153 Uiso calc R 1 . .
H H38C 1.2108 0.8602 0.6621 0.153 Uiso calc R 1 . .
C C39 1.5697(6) 0.7926(4) 0.6577(12) 0.158(5) Uani d . 1 . .
H H39A 1.6027 0.7714 0.6100 0.237 Uiso calc R 1 . .
H H39B 1.5702 0.7805 0.7449 0.237 Uiso calc R 1 . .
H H39C 1.6020 0.8221 0.6652 0.237 Uiso calc R 1 . .
C C40 1.2915(8) 0.7407(4) 0.2986(9) 0.141(5) Uani d . 1 . .
H H40A 1.3403 0.7177 0.2952 0.212 Uiso calc R 1 . .
H H40B 1.2778 0.7576 0.2163 0.212 Uiso calc R 1 . .
H H40C 1.2335 0.7258 0.3125 0.212 Uiso calc R 1 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -1.1770 1.0070 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N3 Pd1 C28 . . 84.8(2) ?
N3 Pd1 C11 . . 85.4(2) ?
C28 Pd1 C11 . . 170.1(2) ?
N3 Pd1 Cl1 . . 177.98(14) ?
C28 Pd1 Cl1 . . 93.89(19) ?
C11 Pd1 Cl1 . . 95.88(15) ?
C11 N1 C12 . . 109.9(5) ?
C11 N1 C10 . . 126.1(5) ?
C12 N1 C10 . . 123.1(5) ?
C11 N2 C13 . . 109.1(5) ?
C11 N2 C14 . . 125.5(5) ?
C13 N2 C14 . . 124.5(5) ?
C21 N3 C19 . . 121.3(5) ?
C21 N3 Pd1 . . 119.6(4) ?
C19 N3 Pd1 . . 119.0(4) ?
C28 N4 C30 . . 110.4(6) ?
C28 N4 C22 . . 125.3(5) ?
C30 N4 C22 . . 123.8(6) ?
C28 N5 C29 . . 110.7(6) ?
C28 N5 C31 . . 124.7(5) ?
C29 N5 C31 . . 124.3(6) ?
C6 C1 C2 . . 118.9(7) ?
C6 C1 C7 . . 122.5(6) ?
C2 C1 C7 . . 118.6(7) ?
C3 C2 C1 . . 122.3(7) ?
C3 C2 H2 . . 118.8 ?
C1 C2 H2 . . 118.8 ?
C4 C3 C2 . . 119.0(7) ?
C4 C3 C8 . . 119.7(9) ?
C2 C3 C8 . . 121.3(9) ?
C3 C4 C5 . . 121.6(7) ?
C3 C4 H4 . . 119.2 ?
C5 C4 H4 . . 119.2 ?
C4 C5 C6 . . 119.0(7) ?
C4 C5 C9 . . 119.3(7) ?
C6 C5 C9 . . 121.6(6) ?
C1 C6 C5 . . 119.1(6) ?
C1 C6 C10 . . 121.8(6) ?
C5 C6 C10 . . 119.1(6) ?
C1 C7 H7A . . 109.5 ?
C1 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
C1 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
C3 C8 H8A . . 109.5 ?
C3 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C3 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C5 C9 H9A . . 109.5 ?
C5 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C5 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
N1 C10 C6 . . 111.7(5) ?
N1 C10 H10A . . 109.3 ?
C6 C10 H10A . . 109.3 ?
N1 C10 H10B . . 109.3 ?
C6 C10 H10B . . 109.3 ?
H10A C10 H10B . . 107.9 ?
N1 C11 N2 . . 105.5(5) ?
N1 C11 Pd1 . . 133.4(4) ?
N2 C11 Pd1 . . 121.1(4) ?
C13 C12 N1 . . 108.6(5) ?
C13 C12 H12 . . 125.7 ?
N1 C12 H12 . . 125.7 ?
C12 C13 N2 . . 106.8(5) ?
C12 C13 H13 . . 126.6 ?
N2 C13 H13 . . 126.6 ?
C15 C14 C19 . . 122.3(5) ?
C15 C14 N2 . . 118.0(5) ?
C19 C14 N2 . . 119.1(5) ?
C14 C15 C16 . . 122.3(5) ?
C14 C15 H15 . . 118.8 ?
C16 C15 H15 . . 118.8 ?
C15 C16 C17 . . 116.5(5) ?
C15 C16 C20 . . 121.8(6) ?
C17 C16 C20 . . 121.6(6) ?
C18 C17 C16 . . 122.0(6) ?
C18 C17 H17 . . 119.0 ?
C16 C17 H17 . . 119.0 ?
C17 C18 C19 . . 121.9(6) ?
C17 C18 H18 . . 119.1 ?
C19 C18 H18 . . 119.1 ?
C14 C19 N3 . . 124.1(5) ?
C14 C19 C18 . . 114.8(5) ?
N3 C19 C18 . . 120.9(5) ?
C16 C20 H20A . . 109.5 ?
C16 C20 H20B . . 109.5 ?
H20A C20 H20B . . 109.5 ?
C16 C20 H20C . . 109.5 ?
H20A C20 H20C . . 109.5 ?
H20B C20 H20C . . 109.5 ?
N3 C21 C26 . . 121.9(5) ?
N3 C21 C22 . . 121.8(6) ?
C26 C21 C22 . . 116.0(6) ?
C23 C22 C21 . . 120.2(6) ?
C23 C22 N4 . . 119.5(6) ?
C21 C22 N4 . . 120.2(6) ?
C24 C23 C22 . . 122.9(6) ?
C24 C23 H23 . . 118.5 ?
C22 C23 H23 . . 118.5 ?
C23 C24 C25 . . 117.0(6) ?
C23 C24 C27 . . 121.4(7) ?
C25 C24 C27 . . 121.6(7) ?
C26 C25 C24 . . 120.0(7) ?
C26 C25 H25 . . 120.0 ?
C24 C25 H25 . . 120.0 ?
C25 C26 C21 . . 123.8(6) ?
C25 C26 H26 . . 118.1 ?
C21 C26 H26 . . 118.1 ?
C24 C27 H27A . . 109.5 ?
C24 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C24 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
N5 C28 N4 . . 104.7(5) ?
N5 C28 Pd1 . . 134.5(5) ?
N4 C28 Pd1 . . 120.7(5) ?
C30 C29 N5 . . 107.0(6) ?
C30 C29 H29 . . 126.5 ?
N5 C29 H29 . . 126.5 ?
C29 C30 N4 . . 107.0(6) ?
C29 C30 H30 . . 126.5 ?
N4 C30 H30 . . 126.5 ?
N5 C31 C32 . . 112.6(5) ?
N5 C31 H31A . . 109.1 ?
C32 C31 H31A . . 109.1 ?
N5 C31 H31B . . 109.1 ?
C32 C31 H31B . . 109.1 ?
H31A C31 H31B . . 107.8 ?
C33 C32 C37 . . 120.8(7) ?
C33 C32 C31 . . 120.1(6) ?
C37 C32 C31 . . 119.1(7) ?
C32 C33 C34 . . 119.4(8) ?
C32 C33 C38 . . 122.2(7) ?
C34 C33 C38 . . 118.3(8) ?
C35 C34 C33 . . 120.6(9) ?
C35 C34 H34 . . 119.7 ?
C33 C34 H34 . . 119.7 ?
C36 C35 C34 . . 118.9(9) ?
C36 C35 C39 . . 121.7(11) ?
C34 C35 C39 . . 119.4(11) ?
C35 C36 C37 . . 123.0(9) ?
C35 C36 H36 . . 118.5 ?
C37 C36 H36 . . 118.5 ?
C32 C37 C36 . . 117.2(9) ?
C32 C37 C40 . . 124.3(8) ?
C36 C37 C40 . . 118.5(8) ?
C33 C38 H38A . . 109.5 ?
C33 C38 H38B . . 109.5 ?
H38A C38 H38B . . 109.5 ?
C33 C38 H38C . . 109.5 ?
H38A C38 H38C . . 109.5 ?
H38B C38 H38C . . 109.5 ?
C35 C39 H39A . . 109.5 ?
C35 C39 H39B . . 109.5 ?
H39A C39 H39B . . 109.5 ?
C35 C39 H39C . . 109.5 ?
H39A C39 H39C . . 109.5 ?
H39B C39 H39C . . 109.5 ?
C37 C40 H40A . . 109.5 ?
C37 C40 H40B . . 109.5 ?
H40A C40 H40B . . 109.5 ?
C37 C40 H40C . . 109.5 ?
H40A C40 H40C . . 109.5 ?
H40B C40 H40C . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pd1 N3 . 1.995(5) ?
Pd1 C28 . 2.015(6) ?
Pd1 C11 . 2.022(5) ?
Pd1 Cl1 . 2.3697(16) ?
N1 C11 . 1.345(7) ?
N1 C12 . 1.365(6) ?
N1 C10 . 1.480(7) ?
N2 C11 . 1.369(7) ?
N2 C13 . 1.388(7) ?
N2 C14 . 1.434(7) ?
N3 C21 . 1.370(7) ?
N3 C19 . 1.407(7) ?
N4 C28 . 1.362(8) ?
N4 C30 . 1.394(7) ?
N4 C22 . 1.423(8) ?
N5 C28 . 1.352(8) ?
N5 C29 . 1.397(8) ?
N5 C31 . 1.470(9) ?
C1 C6 . 1.383(8) ?
C1 C2 . 1.386(9) ?
C1 C7 . 1.501(9) ?
C2 C3 . 1.362(11) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.346(11) ?
C3 C8 . 1.514(10) ?
C4 C5 . 1.397(10) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.405(9) ?
C5 C9 . 1.546(10) ?
C6 C10 . 1.516(8) ?
C7 H7A . 0.9600 ?
C7 H7B . 0.9600 ?
C7 H7C . 0.9600 ?
C8 H8A . 0.9600 ?
C8 H8B . 0.9600 ?
C8 H8C . 0.9600 ?
C9 H9A . 0.9600 ?
C9 H9B . 0.9600 ?
C9 H9C . 0.9600 ?
C10 H10A . 0.9700 ?
C10 H10B . 0.9700 ?
C12 C13 . 1.322(8) ?
C12 H12 . 0.9300 ?
C13 H13 . 0.9300 ?
C14 C15 . 1.374(7) ?
C14 C19 . 1.389(7) ?
C15 C16 . 1.382(8) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.386(8) ?
C16 C20 . 1.512(8) ?
C17 C18 . 1.364(8) ?
C17 H17 . 0.9300 ?
C18 C19 . 1.431(8) ?
C18 H18 . 0.9300 ?
C20 H20A . 0.9600 ?
C20 H20B . 0.9600 ?
C20 H20C . 0.9600 ?
C21 C26 . 1.388(9) ?
C21 C22 . 1.419(8) ?
C22 C23 . 1.391(8) ?
C23 C24 . 1.375(9) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.416(9) ?
C24 C27 . 1.507(9) ?
C25 C26 . 1.371(9) ?
C25 H25 . 0.9300 ?
C26 H26 . 0.9300 ?
C27 H27A . 0.9600 ?
C27 H27B . 0.9600 ?
C27 H27C . 0.9600 ?
C29 C30 . 1.333(10) ?
C29 H29 . 0.9300 ?
C30 H30 . 0.9300 ?
C31 C32 . 1.530(9) ?
C31 H31A . 0.9700 ?
C31 H31B . 0.9700 ?
C32 C33 . 1.376(9) ?
C32 C37 . 1.388(10) ?
C33 C34 . 1.396(10) ?
C33 C38 . 1.520(11) ?
C34 C35 . 1.362(12) ?
C34 H34 . 0.9300 ?
C35 C36 . 1.357(13) ?
C35 C39 . 1.544(12) ?
C36 C37 . 1.391(12) ?
C36 H36 . 0.9300 ?
C37 C40 . 1.511(12) ?
C38 H38A . 0.9600 ?
C38 H38B . 0.9600 ?
C38 H38C . 0.9600 ?
C39 H39A . 0.9600 ?
C39 H39B . 0.9600 ?
C39 H39C . 0.9600 ?
C40 H40A . 0.9600 ?
C40 H40B . 0.9600 ?
C40 H40C . 0.9600 ?
