#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/72/7117240.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_7117240
loop_
_publ_author_name
'Christopher J. Adams'
'Matteo Lusi'
'Emily M. Mutambi'
'A. Guy Orpen'
_publ_section_title
;
 Two-step solid-state synthesis of PEPPSI-type compounds
;
_journal_name_full               Chem.Commun.
_journal_page_first              9632
_journal_paper_doi               10.1039/C5cc02924D
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C27 H37 N2, C5 H5 Cl3 N Pd'
_chemical_formula_sum            'C32 H42 Cl3 N3 Pd'
_chemical_formula_weight         681.44
_chemical_name_systematic
; 
 ? 
;
_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
_audit_update_record
;
2015-04-08 deposited with the CCDC.
2015-05-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.171(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2943(14)
_cell_length_b                   21.212(3)
_cell_length_c                   18.121(3)
_cell_measurement_reflns_used    9647
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.40
_cell_volume                     3259.4(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0862
_diffrn_reflns_av_sigmaI/netI    0.0487
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            68324
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    0.840
_exptl_absorpt_correction_T_max  0.851
_exptl_absorpt_correction_T_min  0.754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1408
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.528
_refine_diff_density_min         -0.864
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     360
_refine_ls_number_reflns         7601
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0692
_refine_ls_R_factor_gt           0.0387
_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)+(0.0453P)²+1.5889P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0851
_refine_ls_wR_factor_ref         0.0996
_reflns_number_gt                5445
_reflns_number_total             7601
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc02924d2.cif
_cod_data_source_block           3c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3392 2015-05-12 13:50:21Z andrius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7117240
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_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.57877(2) 0.139961(11) 0.232769(14) 0.02689(8) Uani 1 1 d . . .
Cl1 Cl 0.61852(10) 0.03537(4) 0.21507(6) 0.0469(2) Uani 1 1 d . . .
Cl2 Cl 0.76818(10) 0.13441(4) 0.36290(5) 0.0451(2) Uani 1 1 d . . .
Cl3 Cl 0.39819(9) 0.14886(4) 0.10033(5) 0.03996(19) Uani 1 1 d . . .
N1 N 0.1867(2) 0.07134(11) 0.32141(13) 0.0230(5) Uani 1 1 d . . .
N2 N 0.0475(3) 0.07060(11) 0.19216(13) 0.0229(5) Uani 1 1 d . . .
N3 N 0.5338(3) 0.23177(12) 0.25047(14) 0.0287(5) Uani 1 1 d . . .
C1 C 0.0400(3) 0.07312(13) 0.26405(16) 0.0231(6) Uani 1 1 d . . .
H1 H -0.0538 0.0757 0.2729 0.028 Uiso 1 1 calc R . .
C2 C 0.2911(3) 0.06711(14) 0.28488(17) 0.0290(6) Uani 1 1 d . . .
H2 H 0.4028 0.0650 0.3116 0.035 Uiso 1 1 calc R . .
C3 C 0.2047(3) 0.06647(14) 0.20424(17) 0.0277(6) Uani 1 1 d . . .
H3 H 0.2440 0.0637 0.1635 0.033 Uiso 1 1 calc R . .
C4 C 0.2284(3) 0.07230(14) 0.40832(16) 0.0252(6) Uani 1 1 d . . .
C5 C 0.2311(3) 0.01470(14) 0.44620(18) 0.0292(6) Uani 1 1 d . . .
C6 C 0.2714(4) 0.01676(16) 0.52905(19) 0.0387(8) Uani 1 1 d . . .
H6 H 0.2755 -0.0211 0.5579 0.046 Uiso 1 1 calc R . .
C7 C 0.3055(4) 0.07401(17) 0.5697(2) 0.0423(8) Uani 1 1 d . . .
H7 H 0.3320 0.0747 0.6262 0.051 Uiso 1 1 calc R . .
C8 C 0.3019(4) 0.12965(16) 0.53039(19) 0.0378(7) Uani 1 1 d . . .
H8 H 0.3259 0.1680 0.5600 0.045 Uiso 1 1 calc R . .
C9 C 0.2633(3) 0.13049(14) 0.44748(17) 0.0296(6) Uani 1 1 d . . .
C10 C 0.2594(4) 0.19172(14) 0.40342(19) 0.0352(7) Uani 1 1 d . . .
H10 H 0.2251 0.1820 0.3447 0.042 Uiso 1 1 calc R . .
C11 C 0.1390(5) 0.23767(18) 0.4120(3) 0.0627(12) Uani 1 1 d . . .
H11A H 0.0374 0.2163 0.3965 0.094 Uiso 1 1 calc R . .
H11B H 0.1261 0.2741 0.3766 0.094 Uiso 1 1 calc R . .
H11C H 0.1769 0.2519 0.4683 0.094 Uiso 1 1 calc R . .
C12 C 0.4211(4) 0.22325(18) 0.4338(2) 0.0491(9) Uani 1 1 d . . .
H12A H 0.4591 0.2314 0.4919 0.074 Uiso 1 1 calc R . .
H12B H 0.4125 0.2632 0.4050 0.074 Uiso 1 1 calc R . .
H12C H 0.4954 0.1954 0.4238 0.074 Uiso 1 1 calc R . .
C13 C 0.1891(4) -0.04681(15) 0.4004(2) 0.0362(7) Uani 1 1 d . . .
H13 H 0.1923 -0.0402 0.3465 0.043 Uiso 1 1 calc R . .
C14 C 0.3045(4) -0.09986(17) 0.4439(2) 0.0534(10) Uani 1 1 d . . .
H14A H 0.4128 -0.0852 0.4588 0.080 Uiso 1 1 calc R . .
H14B H 0.2838 -0.1364 0.4078 0.080 Uiso 1 1 calc R . .
H14C H 0.2906 -0.1119 0.4928 0.080 Uiso 1 1 calc R . .
C15 C 0.0214(4) -0.06674(19) 0.3863(3) 0.0638(12) Uani 1 1 d . . .
H15A H 0.0149 -0.0724 0.4385 0.096 Uiso 1 1 calc R . .
H15B H -0.0047 -0.1065 0.3562 0.096 Uiso 1 1 calc R . .
H15C H -0.0533 -0.0341 0.3551 0.096 Uiso 1 1 calc R . .
C16 C -0.0894(3) 0.06933(13) 0.11529(16) 0.0235(6) Uani 1 1 d . . .
C17 C -0.1487(3) 0.01029(14) 0.08304(17) 0.0260(6) Uani 1 1 d . . .
C18 C -0.2855(3) 0.00995(15) 0.01124(18) 0.0318(7) Uani 1 1 d . . .
H18 H -0.3297 -0.0290 -0.0135 0.038 Uiso 1 1 calc R . .
C19 C -0.3570(3) 0.06574(16) -0.02401(18) 0.0344(7) Uani 1 1 d . . .
H19 H -0.4521 0.0646 -0.0717 0.041 Uiso 1 1 calc R . .
C20 C -0.2924(3) 0.12346(15) 0.00890(18) 0.0341(7) Uani 1 1 d . . .
H20 H -0.3427 0.1613 -0.0169 0.041 Uiso 1 1 calc R . .
C21 C -0.1540(3) 0.12659(14) 0.07962(17) 0.0278(6) Uani 1 1 d . . .
C22 C -0.0780(4) 0.18985(14) 0.11484(19) 0.0326(7) Uani 1 1 d . . .
H22 H 0.0327 0.1812 0.1542 0.039 Uiso 1 1 calc R . .
C23 C -0.0699(5) 0.23439(17) 0.0502(2) 0.0538(10) Uani 1 1 d . . .
H23A H -0.0199 0.2127 0.0191 0.081 Uiso 1 1 calc R . .
H23B H -0.0077 0.2717 0.0763 0.081 Uiso 1 1 calc R . .
H23C H -0.1768 0.2473 0.0138 0.081 Uiso 1 1 calc R . .
C24 C -0.1627(5) 0.22114(17) 0.1613(2) 0.0493(9) Uani 1 1 d . . .
H24A H -0.2705 0.2319 0.1239 0.074 Uiso 1 1 calc R . .
H24B H -0.1062 0.2596 0.1873 0.074 Uiso 1 1 calc R . .
H24C H -0.1658 0.1921 0.2027 0.074 Uiso 1 1 calc R . .
C25 C -0.0707(4) -0.05134(14) 0.12215(18) 0.0308(7) Uani 1 1 d . . .
H25 H 0.0260 -0.0409 0.1716 0.037 Uiso 1 1 calc R . .
C26 C -0.1803(5) -0.09018(16) 0.1485(3) 0.0548(11) Uani 1 1 d . . .
H26A H -0.2205 -0.0636 0.1800 0.082 Uiso 1 1 calc R . .
H26B H -0.1218 -0.1258 0.1817 0.082 Uiso 1 1 calc R . .
H26C H -0.2688 -0.1061 0.1005 0.082 Uiso 1 1 calc R . .
C27 C -0.0198(4) -0.08934(16) 0.0656(2) 0.0385(8) Uani 1 1 d . . .
H27A H -0.1123 -0.0988 0.0157 0.058 Uiso 1 1 calc R . .
H27B H 0.0293 -0.1288 0.0921 0.058 Uiso 1 1 calc R . .
H27C H 0.0562 -0.0648 0.0526 0.058 Uiso 1 1 calc R . .
C28 C 0.3830(4) 0.25186(16) 0.22384(19) 0.0367(7) Uani 1 1 d . . .
H28 H 0.3004 0.2227 0.1972 0.044 Uiso 1 1 calc R . .
C29 C 0.3447(4) 0.31277(16) 0.2338(2) 0.0427(8) Uani 1 1 d . . .
H29 H 0.2374 0.3251 0.2152 0.051 Uiso 1 1 calc R . .
C30 C 0.4638(5) 0.35606(17) 0.2711(2) 0.0474(9) Uani 1 1 d . . .
H30 H 0.4405 0.3987 0.2779 0.057 Uiso 1 1 calc R . .
C31 C 0.6166(4) 0.33540(17) 0.2979(2) 0.0456(8) Uani 1 1 d . . .
H31 H 0.7010 0.3640 0.3238 0.055 Uiso 1 1 calc R . .
C32 C 0.6481(4) 0.27393(15) 0.28752(19) 0.0377(7) Uani 1 1 d . . .
H32 H 0.7549 0.2606 0.3073 0.045 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'
Cl Cl 0.1484 0.1585 '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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N3 Pd1 Cl1 176.86(7) . .
N3 Pd1 Cl2 90.45(7) . .
Cl1 Pd1 Cl2 89.67(3) . .
N3 Pd1 Cl3 88.67(7) . .
Cl1 Pd1 Cl3 91.37(3) . .
Cl2 Pd1 Cl3 176.82(3) . .
C1 N1 C2 108.8(2) . .
C1 N1 C4 125.1(2) . .
C2 N1 C4 126.1(2) . .
C1 N2 C3 108.7(2) . .
C1 N2 C16 124.2(2) . .
C3 N2 C16 127.0(2) . .
C32 N3 C28 117.5(3) . .
C32 N3 Pd1 122.9(2) . .
C28 N3 Pd1 119.6(2) . .
N2 C1 N1 108.3(2) . .
N2 C1 H1 125.9 . .
N1 C1 H1 125.9 . .
C3 C2 N1 107.2(2) . .
C3 C2 H2 126.4 . .
N1 C2 H2 126.4 . .
C2 C3 N2 106.9(2) . .
C2 C3 H3 126.5 . .
N2 C3 H3 126.5 . .
C9 C4 C5 124.8(3) . .
C9 C4 N1 117.7(2) . .
C5 C4 N1 117.5(3) . .
C6 C5 C4 116.5(3) . .
C6 C5 C13 121.0(3) . .
C4 C5 C13 122.5(3) . .
C7 C6 C5 120.2(3) . .
C7 C6 H6 119.9 . .
C5 C6 H6 119.9 . .
C8 C7 C6 121.7(3) . .
C8 C7 H7 119.2 . .
C6 C7 H7 119.2 . .
C7 C8 C9 120.8(3) . .
C7 C8 H8 119.6 . .
C9 C8 H8 119.6 . .
C4 C9 C8 116.1(3) . .
C4 C9 C10 122.7(3) . .
C8 C9 C10 121.2(3) . .
C9 C10 C12 112.2(3) . .
C9 C10 C11 110.6(3) . .
C12 C10 C11 109.6(3) . .
C9 C10 H10 108.1 . .
C12 C10 H10 108.1 . .
C11 C10 H10 108.1 . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C5 C13 C14 112.6(3) . .
C5 C13 C15 110.3(3) . .
C14 C13 C15 109.5(3) . .
C5 C13 H13 108.1 . .
C14 C13 H13 108.1 . .
C15 C13 H13 108.1 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C21 C16 C17 124.6(3) . .
C21 C16 N2 118.1(2) . .
C17 C16 N2 117.3(2) . .
C16 C17 C18 116.5(3) . .
C16 C17 C25 123.0(2) . .
C18 C17 C25 120.5(3) . .
C19 C18 C17 120.6(3) . .
C19 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
C18 C19 C20 121.1(3) . .
C18 C19 H19 119.4 . .
C20 C19 H19 119.4 . .
C19 C20 C21 120.7(3) . .
C19 C20 H20 119.6 . .
C21 C20 H20 119.6 . .
C16 C21 C20 116.4(3) . .
C16 C21 C22 122.3(3) . .
C20 C21 C22 121.3(3) . .
C24 C22 C21 111.0(2) . .
C24 C22 C23 110.7(3) . .
C21 C22 C23 112.4(3) . .
C24 C22 H22 107.5 . .
C21 C22 H22 107.5 . .
C23 C22 H22 107.5 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C17 C25 C27 111.2(2) . .
C17 C25 C26 110.9(3) . .
C27 C25 C26 110.8(3) . .
C17 C25 H25 108.0 . .
C27 C25 H25 108.0 . .
C26 C25 H25 108.0 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
N3 C28 C29 122.5(3) . .
N3 C28 H28 118.7 . .
C29 C28 H28 118.7 . .
C28 C29 C30 119.4(3) . .
C28 C29 H29 120.3 . .
C30 C29 H29 120.3 . .
C31 C30 C29 117.8(3) . .
C31 C30 H30 121.1 . .
C29 C30 H30 121.1 . .
C32 C31 C30 120.4(3) . .
C32 C31 H31 119.8 . .
C30 C31 H31 119.8 . .
N3 C32 C31 122.4(3) . .
N3 C32 H32 118.8 . .
C31 C32 H32 118.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 N3 2.045(2) .
Pd1 Cl1 2.2931(9) .
Pd1 Cl2 2.2965(9) .
Pd1 Cl3 2.3052(9) .
N1 C1 1.334(3) .
N1 C2 1.383(3) .
N1 C4 1.460(3) .
N2 C1 1.334(3) .
N2 C3 1.389(3) .
N2 C16 1.452(3) .
N3 C32 1.340(4) .
N3 C28 1.350(4) .
C1 H1 0.9500 .
C2 C3 1.349(4) .
C2 H2 0.9500 .
C3 H3 0.9500 .
C4 C9 1.394(4) .
C4 C5 1.397(4) .
C5 C6 1.391(4) .
C5 C13 1.509(4) .
C6 C7 1.388(5) .
C6 H6 0.9500 .
C7 C8 1.372(5) .
C7 H7 0.9500 .
C8 C9 1.395(4) .
C8 H8 0.9500 .
C9 C10 1.517(4) .
C10 C12 1.527(4) .
C10 C11 1.539(5) .
C10 H10 1.0000 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.531(5) .
C13 C15 1.532(5) .
C13 H13 1.0000 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C21 1.391(4) .
C16 C17 1.397(4) .
C17 C18 1.398(4) .
C17 C25 1.522(4) .
C18 C19 1.379(4) .
C18 H18 0.9500 .
C19 C20 1.386(4) .
C19 H19 0.9500 .
C20 C21 1.397(4) .
C20 H20 0.9500 .
C21 C22 1.529(4) .
C22 C24 1.521(4) .
C22 C23 1.531(4) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C27 1.523(4) .
C25 C26 1.531(4) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C29 1.372(5) .
C28 H28 0.9500 .
C29 C30 1.383(5) .
C29 H29 0.9500 .
C30 C31 1.371(5) .
C30 H30 0.9500 .
C31 C32 1.366(5) .
C31 H31 0.9500 .
C32 H32 0.9500 .
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
Cl2 Pd1 N3 C32 44.2(2) . . . .
Cl3 Pd1 N3 C32 -132.7(2) . . . .
Cl2 Pd1 N3 C28 -136.0(2) . . . .
Cl3 Pd1 N3 C28 47.0(2) . . . .
C3 N2 C1 N1 0.6(3) . . . .
C16 N2 C1 N1 177.8(2) . . . .
C2 N1 C1 N2 -0.4(3) . . . .
C4 N1 C1 N2 -179.2(2) . . . .
C1 N1 C2 C3 0.1(3) . . . .
C4 N1 C2 C3 178.8(3) . . . .
N1 C2 C3 N2 0.2(3) . . . .
C1 N2 C3 C2 -0.5(3) . . . .
C16 N2 C3 C2 -177.6(3) . . . .
C1 N1 C4 C9 -94.3(3) . . . .
C2 N1 C4 C9 87.2(3) . . . .
C1 N1 C4 C5 86.0(3) . . . .
C2 N1 C4 C5 -92.5(3) . . . .
C9 C4 C5 C6 0.2(4) . . . .
N1 C4 C5 C6 179.9(2) . . . .
C9 C4 C5 C13 178.8(3) . . . .
N1 C4 C5 C13 -1.5(4) . . . .
C4 C5 C6 C7 0.3(4) . . . .
C13 C5 C6 C7 -178.2(3) . . . .
C5 C6 C7 C8 -0.5(5) . . . .
C6 C7 C8 C9 0.0(5) . . . .
C5 C4 C9 C8 -0.6(4) . . . .
N1 C4 C9 C8 179.7(2) . . . .
C5 C4 C9 C10 179.7(3) . . . .
N1 C4 C9 C10 0.0(4) . . . .
C7 C8 C9 C4 0.5(5) . . . .
C7 C8 C9 C10 -179.9(3) . . . .
C4 C9 C10 C12 -117.3(3) . . . .
C8 C9 C10 C12 63.1(4) . . . .
C4 C9 C10 C11 120.1(3) . . . .
C8 C9 C10 C11 -59.5(4) . . . .
C6 C5 C13 C14 -45.8(4) . . . .
C4 C5 C13 C14 135.7(3) . . . .
C6 C5 C13 C15 76.8(4) . . . .
C4 C5 C13 C15 -101.7(3) . . . .
C1 N2 C16 C21 87.5(3) . . . .
C3 N2 C16 C21 -95.7(3) . . . .
C1 N2 C16 C17 -91.3(3) . . . .
C3 N2 C16 C17 85.4(3) . . . .
C21 C16 C17 C18 -2.1(4) . . . .
N2 C16 C17 C18 176.7(2) . . . .
C21 C16 C17 C25 177.4(3) . . . .
N2 C16 C17 C25 -3.8(4) . . . .
C16 C17 C18 C19 -0.9(4) . . . .
C25 C17 C18 C19 179.6(3) . . . .
C17 C18 C19 C20 2.4(4) . . . .
C18 C19 C20 C21 -1.0(5) . . . .
C17 C16 C21 C20 3.4(4) . . . .
N2 C16 C21 C20 -175.3(2) . . . .
C17 C16 C21 C22 -176.0(2) . . . .
N2 C16 C21 C22 5.2(4) . . . .
C19 C20 C21 C16 -1.8(4) . . . .
C19 C20 C21 C22 177.7(3) . . . .
C16 C21 C22 C24 -101.3(3) . . . .
C20 C21 C22 C24 79.3(4) . . . .
C16 C21 C22 C23 134.1(3) . . . .
C20 C21 C22 C23 -45.3(4) . . . .
C16 C17 C25 C27 -119.2(3) . . . .
C18 C17 C25 C27 60.3(3) . . . .
C16 C17 C25 C26 117.1(3) . . . .
C18 C17 C25 C26 -63.3(4) . . . .
C32 N3 C28 C29 -0.3(5) . . . .
Pd1 N3 C28 C29 180.0(2) . . . .
N3 C28 C29 C30 1.2(5) . . . .
C28 C29 C30 C31 -1.1(5) . . . .
C29 C30 C31 C32 0.1(5) . . . .
C28 N3 C32 C31 -0.8(5) . . . .
Pd1 N3 C32 C31 179.0(3) . . . .
C30 C31 C32 N3 0.9(5) . . . .
