#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/61/7106127.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_7106127
_publ_author_name                'Beatrice Braun Irmgard Kalf Ulli Englert'
_publ_section_title
;
 One of the most complex “small molecule structures” ever
 reported: 16 independent molecules in the asymmetric unit for an
 ortho-palladated primary amine
;
_journal_name_full               Chem.Commun.
_journal_page_first              3846
_journal_paper_doi               10.1039/c0cc05208f
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C15 H18.5 Cl N2.5 O Pd'
_chemical_formula_weight         391.67
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 124.506(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   23.953(6)
_cell_length_b                   18.108(4)
_cell_length_c                   18.062(4)
_cell_measurement_reflns_used    5216
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      2.25
_cell_volume                     6456(3)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full .998
_diffrn_measured_fraction_theta_max .999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0594
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            40725
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.25
_exptl_absorpt_coefficient_mu    1.314
_exptl_absorpt_correction_T_max  0.8909
_exptl_absorpt_correction_T_min  0.6562
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULABS (Spek, 2003)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             3152
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         .880
_refine_diff_density_min         -.443
_refine_diff_density_rms         .098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         7385
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0319
_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)+(0.0600P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0658
_refine_ls_wR_factor_ref         0.0701
_reflns_number_gt                6084
_reflns_number_total             7385
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc05208f.txt
_cod_data_source_block           complex1xCH3CN
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C15 H18.50 Cl N2.50 O Pd'
_cod_database_code               7106127
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Cl1 Cl 0.10434(4) 0.16930(4) 0.42952(5) 0.02155(15) Uani 1 1 d . . .
Pd1 Pd 0.098473(11) 0.259849(12) 0.324486(14) 0.01574(6) Uani 1 1 d . . .
O1 O 0.05787(11) 0.51818(12) 0.13672(14) 0.0259(5) Uani 1 1 d . . .
N1 N 0.13852(12) 0.33918(13) 0.42290(16) 0.0179(5) Uani 1 1 d . . .
N2 N 0.06578(12) 0.18293(13) 0.22443(16) 0.0197(5) Uani 1 1 d . . .
H2A H 0.0841 0.1375 0.2492 0.024 Uiso 1 1 calc R . .
H2B H 0.0194 0.1790 0.1916 0.024 Uiso 1 1 calc R . .
C1 C 0.10158(16) 0.37115(16) 0.4491(2) 0.0208(6) Uani 1 1 d . . .
H1 H 0.0542 0.3624 0.4151 0.025 Uiso 1 1 calc R . .
C2 C 0.13045(17) 0.41646(17) 0.5241(2) 0.0257(7) Uani 1 1 d . . .
H2 H 0.1032 0.4381 0.5412 0.031 Uiso 1 1 calc R . .
C3 C 0.19970(17) 0.42981(18) 0.5740(2) 0.0282(7) Uani 1 1 d . . .
H3 H 0.2207 0.4603 0.6259 0.034 Uiso 1 1 calc R . .
C4 C 0.23763(17) 0.39751(18) 0.5464(2) 0.0298(7) Uani 1 1 d . . .
H4 H 0.2851 0.4058 0.5789 0.036 Uiso 1 1 calc R . .
C5 C 0.20537(16) 0.35318(18) 0.4710(2) 0.0242(7) Uani 1 1 d . . .
H5 H 0.2316 0.3316 0.4522 0.029 Uiso 1 1 calc R . .
C6 C 0.08724(16) 0.20618(17) 0.1639(2) 0.0220(6) Uani 1 1 d . . .
H6 H 0.0579 0.1820 0.1038 0.026 Uiso 1 1 calc R . .
C7 C 0.07738(15) 0.28932(16) 0.1549(2) 0.0202(6) Uani 1 1 d . . .
C8 C 0.08535(14) 0.32721(16) 0.2284(2) 0.0186(6) Uani 1 1 d . . .
C9 C 0.07854(14) 0.40444(16) 0.2242(2) 0.0185(6) Uani 1 1 d . . .
H9 H 0.0830 0.4308 0.2728 0.022 Uiso 1 1 calc R . .
C10 C 0.06507(15) 0.44254(16) 0.1478(2) 0.0199(6) Uani 1 1 d . . .
C11 C 0.05206(19) 0.55949(18) 0.1993(2) 0.0313(8) Uani 1 1 d . . .
H11A H 0.0155 0.5389 0.2022 0.047 Uiso 1 1 calc R . .
H11B H 0.0419 0.6111 0.1799 0.047 Uiso 1 1 calc R . .
H11C H 0.0948 0.5568 0.2588 0.047 Uiso 1 1 calc R . .
C12 C 0.05680(16) 0.40423(18) 0.0752(2) 0.0247(7) Uani 1 1 d . . .
H12 H 0.0471 0.4304 0.0235 0.030 Uiso 1 1 calc R . .
C13 C 0.06281(16) 0.32759(18) 0.0785(2) 0.0242(7) Uani 1 1 d . . .
H13 H 0.0570 0.3014 0.0290 0.029 Uiso 1 1 calc R . .
C14 C 0.16128(17) 0.18640(19) 0.2064(2) 0.0311(8) Uani 1 1 d . . .
H14A H 0.1893 0.2088 0.2662 0.047 Uiso 1 1 calc R . .
H14B H 0.1755 0.2050 0.1686 0.047 Uiso 1 1 calc R . .
H14C H 0.1666 0.1326 0.2118 0.047 Uiso 1 1 calc R . .
Cl2 Cl 0.38015(4) 0.50372(4) 0.24209(5) 0.02155(15) Uani 1 1 d . . .
Pd2 Pd 0.471656(11) 0.415157(12) 0.328558(14) 0.01560(6) Uani 1 1 d . . .
O2 O 0.59756(11) 0.15213(11) 0.40985(15) 0.0267(5) Uani 1 1 d . . .
N3 N 0.40518(12) 0.33239(13) 0.30406(16) 0.0161(5) Uani 1 1 d . . .
N4 N 0.55062(12) 0.48897(13) 0.37476(16) 0.0193(5) Uani 1 1 d . . .
H4A H 0.5632 0.4913 0.3352 0.023 Uiso 1 1 calc R . .
H4B H 0.5374 0.5354 0.3797 0.023 Uiso 1 1 calc R . .
C15 C 0.36902(15) 0.29715(17) 0.2244(2) 0.0225(6) Uani 1 1 d . . .
H15 H 0.3684 0.3164 0.1751 0.027 Uiso 1 1 calc R . .
C16 C 0.33255(16) 0.23339(17) 0.2126(2) 0.0252(7) Uani 1 1 d . . .
H16 H 0.3086 0.2086 0.1564 0.030 Uiso 1 1 calc R . .
C17 C 0.33148(17) 0.20630(18) 0.2837(2) 0.0287(7) Uani 1 1 d . . .
H17 H 0.3073 0.1625 0.2771 0.034 Uiso 1 1 calc R . .
C18 C 0.36625(17) 0.24421(17) 0.3643(2) 0.0271(7) Uani 1 1 d . . .
H18 H 0.3648 0.2282 0.4133 0.033 Uiso 1 1 calc R . .
C19 C 0.40341(16) 0.30630(17) 0.3721(2) 0.0227(6) Uani 1 1 d . . .
H19 H 0.4287 0.3313 0.4282 0.027 Uiso 1 1 calc R . .
C20 C 0.60910(15) 0.46273(17) 0.4651(2) 0.0218(6) Uani 1 1 d . . .
H20 H 0.6523 0.4855 0.4799 0.026 Uiso 1 1 calc R . .
C21 C 0.61106(15) 0.37932(16) 0.45553(19) 0.0181(6) Uani 1 1 d . . .
C22 C 0.54832(14) 0.34501(16) 0.39304(19) 0.0172(6) Uani 1 1 d . . .
C23 C 0.54678(15) 0.26907(16) 0.3799(2) 0.0181(6) Uani 1 1 d . . .
H23 H 0.5051 0.2458 0.3366 0.022 Uiso 1 1 calc R . .
C24 C 0.60590(15) 0.22655(16) 0.4295(2) 0.0200(6) Uani 1 1 d . . .
C25 C 0.65402(18) 0.10501(18) 0.4647(2) 0.0318(8) Uani 1 1 d . . .
H25A H 0.6912 0.1193 0.4596 0.048 Uiso 1 1 calc R . .
H25B H 0.6410 0.0538 0.4448 0.048 Uiso 1 1 calc R . .
H25C H 0.6688 0.1095 0.5274 0.048 Uiso 1 1 calc R . .
C26 C 0.66735(15) 0.26018(17) 0.4930(2) 0.0225(6) Uani 1 1 d . . .
H26 H 0.7073 0.2314 0.5279 0.027 Uiso 1 1 calc R . .
C27 C 0.66971(15) 0.33676(17) 0.5050(2) 0.0209(6) Uani 1 1 d . . .
H27 H 0.7117 0.3600 0.5473 0.025 Uiso 1 1 calc R . .
C28 C 0.59597(17) 0.48399(19) 0.5356(2) 0.0289(7) Uani 1 1 d . . .
H28A H 0.5525 0.4632 0.5190 0.043 Uiso 1 1 calc R . .
H28B H 0.5945 0.5379 0.5389 0.043 Uiso 1 1 calc R . .
H28C H 0.6324 0.4645 0.5943 0.043 Uiso 1 1 calc R . .
N5 N 0.22197(17) 0.5339(2) 0.3231(3) 0.0598(11) Uani 1 1 d . . .
C29 C 0.23363(17) 0.4788(2) 0.3047(3) 0.0424(10) Uani 1 1 d . . .
C30 C 0.2495(2) 0.4075(2) 0.2824(4) 0.0567(13) Uani 1 1 d . . .
H30A H 0.2773 0.4154 0.2590 0.085 Uiso 1 1 calc R . .
H30B H 0.2073 0.3825 0.2368 0.085 Uiso 1 1 calc R . .
H30C H 0.2745 0.3767 0.3365 0.085 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 .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl .1484 .1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0106 .0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C8 Pd1 N1 95.24(11) . . ?
C8 Pd1 N2 81.70(11) . . ?
N1 Pd1 N2 174.43(10) . . ?
C8 Pd1 Cl1 173.81(8) . . ?
N1 Pd1 Cl1 90.24(7) . . ?
N2 Pd1 Cl1 93.07(7) . . ?
C10 O1 C11 117.8(2) . . ?
C5 N1 C1 118.1(3) . . ?
C5 N1 Pd1 119.5(2) . . ?
C1 N1 Pd1 121.8(2) . . ?
C6 N2 Pd1 109.40(18) . . ?
C6 N2 H2A 109.8 . . ?
Pd1 N2 H2A 109.8 . . ?
C6 N2 H2B 109.8 . . ?
Pd1 N2 H2B 109.8 . . ?
H2A N2 H2B 108.2 . . ?
N1 C1 C2 122.3(3) . . ?
N1 C1 H1 118.9 . . ?
C2 C1 H1 118.9 . . ?
C1 C2 C3 119.2(3) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C2 C3 C4 118.5(3) . . ?
C2 C3 H3 120.7 . . ?
C4 C3 H3 120.7 . . ?
C5 C4 C3 119.0(3) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
N1 C5 C4 122.9(3) . . ?
N1 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
N2 C6 C7 105.0(2) . . ?
N2 C6 C14 110.3(3) . . ?
C7 C6 C14 110.7(3) . . ?
N2 C6 H6 110.3 . . ?
C7 C6 H6 110.3 . . ?
C14 C6 H6 110.3 . . ?
C13 C7 C8 120.9(3) . . ?
C13 C7 C6 122.2(3) . . ?
C8 C7 C6 116.9(3) . . ?
C9 C8 C7 119.0(3) . . ?
C9 C8 Pd1 127.7(2) . . ?
C7 C8 Pd1 113.1(2) . . ?
C8 C9 C10 119.7(3) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
O1 C10 C12 114.7(3) . . ?
O1 C10 C9 124.7(3) . . ?
C12 C10 C9 120.6(3) . . ?
O1 C11 H11A 109.5 . . ?
O1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C10 119.9(3) . . ?
C13 C12 H12 120.0 . . ?
C10 C12 H12 120.0 . . ?
C12 C13 C7 119.8(3) . . ?
C12 C13 H13 120.1 . . ?
C7 C13 H13 120.1 . . ?
C6 C14 H14A 109.5 . . ?
C6 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C6 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C22 Pd2 N3 90.35(11) . . ?
C22 Pd2 N4 81.12(11) . . ?
N3 Pd2 N4 169.71(9) . . ?
C22 Pd2 Cl2 175.75(8) . . ?
N3 Pd2 Cl2 92.08(7) . . ?
N4 Pd2 Cl2 96.79(7) . . ?
C24 O2 C25 117.7(3) . . ?
C19 N3 C15 118.5(3) . . ?
C19 N3 Pd2 119.0(2) . . ?
C15 N3 Pd2 122.0(2) . . ?
C20 N4 Pd2 108.09(17) . . ?
C20 N4 H4A 110.1 . . ?
Pd2 N4 H4A 110.1 . . ?
C20 N4 H4B 110.1 . . ?
Pd2 N4 H4B 110.1 . . ?
H4A N4 H4B 108.4 . . ?
N3 C15 C16 121.7(3) . . ?
N3 C15 H15 119.1 . . ?
C16 C15 H15 119.1 . . ?
C17 C16 C15 119.4(3) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C18 C17 C16 118.9(3) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C17 C18 C19 118.5(3) . . ?
C17 C18 H18 120.7 . . ?
C19 C18 H18 120.7 . . ?
N3 C19 C18 122.9(3) . . ?
N3 C19 H19 118.6 . . ?
C18 C19 H19 118.6 . . ?
N4 C20 C21 105.0(2) . . ?
N4 C20 C28 108.7(2) . . ?
C21 C20 C28 112.3(3) . . ?
N4 C20 H20 110.2 . . ?
C21 C20 H20 110.2 . . ?
C28 C20 H20 110.2 . . ?
C27 C21 C22 119.9(3) . . ?
C27 C21 C20 124.0(3) . . ?
C22 C21 C20 116.1(3) . . ?
C23 C22 C21 118.9(3) . . ?
C23 C22 Pd2 127.4(2) . . ?
C21 C22 Pd2 113.6(2) . . ?
C22 C23 C24 120.9(3) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
O2 C24 C26 124.8(3) . . ?
O2 C24 C23 115.2(3) . . ?
C26 C24 C23 120.0(3) . . ?
O2 C25 H25A 109.5 . . ?
O2 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
O2 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 C27 119.5(3) . . ?
C24 C26 H26 120.3 . . ?
C27 C26 H26 120.3 . . ?
C21 C27 C26 120.7(3) . . ?
C21 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C20 C28 H28A 109.5 . . ?
C20 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C20 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
N5 C29 C30 179.1(5) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
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
Cl1 Pd1 2.4505(8) . ?
Pd1 C8 1.995(3) . ?
Pd1 N1 2.052(2) . ?
Pd1 N2 2.053(2) . ?
O1 C10 1.381(4) . ?
O1 C11 1.426(4) . ?
N1 C5 1.344(4) . ?
N1 C1 1.348(4) . ?
N2 C6 1.508(4) . ?
N2 H2A 0.9200 . ?
N2 H2B 0.9200 . ?
C1 C2 1.388(4) . ?
C1 H1 0.9500 . ?
C2 C3 1.389(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.389(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(4) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.518(4) . ?
C6 C14 1.523(4) . ?
C6 H6 1.0000 . ?
C7 C13 1.400(4) . ?
C7 C8 1.409(4) . ?
C8 C9 1.405(4) . ?
C9 C10 1.407(4) . ?
C9 H9 0.9500 . ?
C10 C12 1.395(4) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.393(4) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
Cl2 Pd2 2.4366(8) . ?
Pd2 C22 1.980(3) . ?
Pd2 N3 2.044(2) . ?
Pd2 N4 2.067(2) . ?
O2 C24 1.379(4) . ?
O2 C25 1.421(4) . ?
N3 C19 1.340(4) . ?
N3 C15 1.347(4) . ?
N4 C20 1.504(4) . ?
N4 H4A 0.9200 . ?
N4 H4B 0.9200 . ?
C15 C16 1.389(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.388(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.382(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.391(4) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.524(4) . ?
C20 C28 1.524(4) . ?
C20 H20 1.0000 . ?
C21 C27 1.394(4) . ?
C21 C22 1.413(4) . ?
C22 C23 1.392(4) . ?
C23 C24 1.401(4) . ?
C23 H23 0.9500 . ?
C24 C26 1.393(4) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.400(4) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
N5 C29 1.136(5) . ?
C29 C30 1.466(6) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
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
C8 Pd1 N1 C5 -86.3(2) . . . . ?
N2 Pd1 N1 C5 -29.9(11) . . . . ?
Cl1 Pd1 N1 C5 96.5(2) . . . . ?
C8 Pd1 N1 C1 102.5(2) . . . . ?
N2 Pd1 N1 C1 158.9(9) . . . . ?
Cl1 Pd1 N1 C1 -74.6(2) . . . . ?
C8 Pd1 N2 C6 30.65(19) . . . . ?
N1 Pd1 N2 C6 -26.3(11) . . . . ?
Cl1 Pd1 N2 C6 -152.67(18) . . . . ?
C5 N1 C1 C2 -1.1(4) . . . . ?
Pd1 N1 C1 C2 170.2(2) . . . . ?
N1 C1 C2 C3 0.3(5) . . . . ?
C1 C2 C3 C4 0.5(5) . . . . ?
C2 C3 C4 C5 -0.4(5) . . . . ?
C1 N1 C5 C4 1.2(4) . . . . ?
Pd1 N1 C5 C4 -170.3(2) . . . . ?
C3 C4 C5 N1 -0.5(5) . . . . ?
Pd1 N2 C6 C7 -39.3(3) . . . . ?
Pd1 N2 C6 C14 80.0(3) . . . . ?
N2 C6 C7 C13 -151.5(3) . . . . ?
C14 C6 C7 C13 89.5(4) . . . . ?
N2 C6 C7 C8 30.2(3) . . . . ?
C14 C6 C7 C8 -88.8(3) . . . . ?
C13 C7 C8 C9 -0.1(4) . . . . ?
C6 C7 C8 C9 178.3(3) . . . . ?
C13 C7 C8 Pd1 175.4(2) . . . . ?
C6 C7 C8 Pd1 -6.2(3) . . . . ?
N1 Pd1 C8 C9 -23.4(3) . . . . ?
N2 Pd1 C8 C9 161.3(3) . . . . ?
Cl1 Pd1 C8 C9 128.8(7) . . . . ?
N1 Pd1 C8 C7 161.6(2) . . . . ?
N2 Pd1 C8 C7 -13.7(2) . . . . ?
Cl1 Pd1 C8 C7 -46.2(9) . . . . ?
C7 C8 C9 C10 -1.0(4) . . . . ?
Pd1 C8 C9 C10 -175.8(2) . . . . ?
C11 O1 C10 C12 167.7(3) . . . . ?
C11 O1 C10 C9 -11.3(4) . . . . ?
C8 C9 C10 O1 -179.5(3) . . . . ?
C8 C9 C10 C12 1.5(4) . . . . ?
O1 C10 C12 C13 -179.9(3) . . . . ?
C9 C10 C12 C13 -0.9(5) . . . . ?
C10 C12 C13 C7 -0.2(5) . . . . ?
C8 C7 C13 C12 0.7(5) . . . . ?
C6 C7 C13 C12 -177.6(3) . . . . ?
C22 Pd2 N3 C19 72.1(2) . . . . ?
N4 Pd2 N3 C19 38.2(6) . . . . ?
Cl2 Pd2 N3 C19 -111.4(2) . . . . ?
C22 Pd2 N3 C15 -99.6(2) . . . . ?
N4 Pd2 N3 C15 -133.6(5) . . . . ?
Cl2 Pd2 N3 C15 76.9(2) . . . . ?
C22 Pd2 N4 C20 -34.21(19) . . . . ?
N3 Pd2 N4 C20 0.2(6) . . . . ?
Cl2 Pd2 N4 C20 149.53(17) . . . . ?
C19 N3 C15 C16 -2.6(4) . . . . ?
Pd2 N3 C15 C16 169.2(2) . . . . ?
N3 C15 C16 C17 2.0(5) . . . . ?
C15 C16 C17 C18 0.7(5) . . . . ?
C16 C17 C18 C19 -2.8(5) . . . . ?
C15 N3 C19 C18 0.4(4) . . . . ?
Pd2 N3 C19 C18 -171.6(2) . . . . ?
C17 C18 C19 N3 2.3(5) . . . . ?
Pd2 N4 C20 C21 41.5(2) . . . . ?
Pd2 N4 C20 C28 -78.9(2) . . . . ?
N4 C20 C21 C27 151.9(3) . . . . ?
C28 C20 C21 C27 -90.1(4) . . . . ?
N4 C20 C21 C22 -29.2(3) . . . . ?
C28 C20 C21 C22 88.8(3) . . . . ?
C27 C21 C22 C23 -2.2(4) . . . . ?
C20 C21 C22 C23 178.9(3) . . . . ?
C27 C21 C22 Pd2 -179.1(2) . . . . ?
C20 C21 C22 Pd2 1.9(3) . . . . ?
N3 Pd2 C22 C23 27.2(3) . . . . ?
N4 Pd2 C22 C23 -158.6(3) . . . . ?
Cl2 Pd2 C22 C23 -97.6(12) . . . . ?
N3 Pd2 C22 C21 -156.2(2) . . . . ?
N4 Pd2 C22 C21 18.0(2) . . . . ?
Cl2 Pd2 C22 C21 79.0(12) . . . . ?
C21 C22 C23 C24 1.9(4) . . . . ?
Pd2 C22 C23 C24 178.4(2) . . . . ?
C25 O2 C24 C26 7.0(4) . . . . ?
C25 O2 C24 C23 -173.2(3) . . . . ?
C22 C23 C24 O2 -179.8(3) . . . . ?
C22 C23 C24 C26 0.0(4) . . . . ?
O2 C24 C26 C27 178.1(3) . . . . ?
C23 C24 C26 C27 -1.7(4) . . . . ?
C22 C21 C27 C26 0.5(4) . . . . ?
C20 C21 C27 C26 179.4(3) . . . . ?
C24 C26 C27 C21 1.4(4) . . . . ?
