#------------------------------------------------------------------------------
#$Date: 2017-11-07 02:21:33 +0200 (Tue, 07 Nov 2017) $
#$Revision: 202657 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/42/4514226.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_4514226
loop_
_publ_author_name
'Zhao, Minhui'
'Chen, Changle'
_publ_section_title
;
 Accessing Multiple Catalytically Active States in Redox-Controlled Olefin
 Polymerization
;
_journal_issue                   11
_journal_name_full               'ACS Catalysis'
_journal_page_first              7490
_journal_paper_doi               10.1021/acscatal.7b02564
_journal_volume                  7
_journal_year                    2017
_chemical_formula_sum            'C49 H59 Cl3 Fe2 N2 Pd'
_chemical_formula_weight         1000.43
_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                 111.932(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.734(2)
_cell_length_b                   9.9782(5)
_cell_length_c                   18.5024(11)
_cell_measurement_reflns_used    3184
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      68.7250
_cell_measurement_theta_min      4.7490
_cell_volume                     4749.7(5)
_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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0445
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            9171
_diffrn_reflns_theta_full        66.04
_diffrn_reflns_theta_max         66.04
_diffrn_reflns_theta_min         4.75
_exptl_absorpt_coefficient_mu    9.668
_exptl_absorpt_correction_T_max  0.1659
_exptl_absorpt_correction_T_min  0.1426
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2096
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.29
_refine_diff_density_max         1.246
_refine_diff_density_min         -0.564
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         4135
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0619
_refine_ls_R_factor_gt           0.0454
_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)+(0.0667P)²+3.3261P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1162
_refine_ls_wR_factor_ref         0.1375
_reflns_number_gt                3246
_reflns_number_total             4135
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cs7b02564_si_002.cif
_cod_data_source_block           wrk-2cp-cl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 4514226.cif.
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4514226
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
Pd1 Pd 0.5000 0.36902(5) 0.7500 0.05444(18) Uani 1 2 d S . .
Fe1 Fe 0.32449(3) 0.31955(8) 0.26767(4) 0.0537(2) Uani 1 1 d . A .
Cl1 Cl 0.4717(3) 0.5401(5) 0.6646(5) 0.0707(10) Uani 0.50 1 d P A 1
N1 N 0.47822(14) 0.2042(4) 0.67386(19) 0.0531(9) Uani 1 1 d . A .
C1 C 0.48866(19) 0.0878(5) 0.7074(3) 0.0582(12) Uani 1 1 d . . .
C2 C 0.4790(2) -0.0438(5) 0.6646(3) 0.0699(14) Uani 1 1 d . A .
H2A H 0.4675 -0.0275 0.6096 0.105 Uiso 1 1 calc R . .
H2B H 0.4528 -0.0929 0.6756 0.105 Uiso 1 1 calc R . .
H2C H 0.5106 -0.0949 0.6813 0.105 Uiso 1 1 calc R . .
C3 C 0.45490(17) 0.2126(5) 0.5893(2) 0.0498(10) Uani 1 1 d . . .
C4 C 0.40116(18) 0.1968(6) 0.5519(3) 0.0598(12) Uani 1 1 d . A .
C5 C 0.38112(18) 0.2014(5) 0.4716(3) 0.0595(12) Uani 1 1 d . . .
H5 H 0.3457 0.1875 0.4455 0.071 Uiso 1 1 calc R A .
C6 C 0.41102(17) 0.2256(4) 0.4285(2) 0.0478(10) Uani 1 1 d . A .
C7 C 0.46402(16) 0.2480(4) 0.4675(2) 0.0473(10) Uani 1 1 d . . .
H7 H 0.4845 0.2665 0.4389 0.057 Uiso 1 1 calc R A .
C8 C 0.48684(16) 0.2431(4) 0.5480(2) 0.0456(9) Uani 1 1 d . A .
C9 C 0.3655(2) 0.1723(7) 0.5977(3) 0.0839(18) Uani 1 1 d . . .
H9 H 0.3855 0.1235 0.6455 0.101 Uiso 1 1 calc R A .
C10 C 0.3175(3) 0.0935(9) 0.5541(4) 0.124(3) Uani 1 1 d . A .
H10A H 0.3270 0.0105 0.5367 0.186 Uiso 1 1 calc R . .
H10B H 0.2957 0.1442 0.5099 0.186 Uiso 1 1 calc R . .
H10C H 0.2990 0.0752 0.5877 0.186 Uiso 1 1 calc R . .
C11 C 0.3497(4) 0.3018(10) 0.6197(6) 0.159(4) Uani 1 1 d . A .
H11A H 0.3292 0.3501 0.5736 0.239 Uiso 1 1 calc R . .
H11B H 0.3801 0.3531 0.6488 0.239 Uiso 1 1 calc R . .
H11C H 0.3295 0.2867 0.6513 0.239 Uiso 1 1 calc R . .
C12 C 0.54469(18) 0.2658(5) 0.5893(3) 0.0586(12) Uani 1 1 d . . .
H12 H 0.5506 0.2907 0.6432 0.070 Uiso 1 1 calc R A .
C13 C 0.5648(2) 0.3796(6) 0.5546(4) 0.0910(19) Uani 1 1 d . A .
H13A H 0.5642 0.3536 0.5043 0.137 Uiso 1 1 calc R . .
H13B H 0.5998 0.4006 0.5882 0.137 Uiso 1 1 calc R . .
H13C H 0.5432 0.4570 0.5493 0.137 Uiso 1 1 calc R . .
C14 C 0.5753(2) 0.1409(7) 0.5925(5) 0.121(3) Uani 1 1 d . A .
H14A H 0.5743 0.1201 0.5413 0.182 Uiso 1 1 calc R . .
H14B H 0.5606 0.0680 0.6113 0.182 Uiso 1 1 calc R . .
H14C H 0.6107 0.1544 0.6270 0.182 Uiso 1 1 calc R . .
C15 C 0.38850(17) 0.2196(5) 0.3425(2) 0.0531(11) Uani 1 1 d . . .
C16 C 0.34810(19) 0.1293(5) 0.2980(3) 0.0635(13) Uani 1 1 d . A .
H16 H 0.3309 0.0680 0.3177 0.076 Uiso 1 1 d R . .
C17 C 0.3394(2) 0.1504(6) 0.2182(3) 0.0755(16) Uani 1 1 d . . .
H17 H 0.3159 0.1029 0.1768 0.091 Uiso 1 1 d R A .
C18 C 0.3714(2) 0.2533(6) 0.2121(3) 0.0737(16) Uani 1 1 d . A .
H18 H 0.3727 0.2876 0.1661 0.088 Uiso 1 1 d R . .
C19 C 0.40180(19) 0.2965(6) 0.2887(3) 0.0642(13) Uani 1 1 d . A .
H19 H 0.4263 0.3651 0.3013 0.077 Uiso 1 1 d R . .
C20 C 0.3082(2) 0.5159(6) 0.2711(4) 0.0807(16) Uani 1 1 d . . .
H20 H 0.3311 0.5873 0.2780 0.097 Uiso 1 1 d R A .
C21 C 0.2753(2) 0.4631(6) 0.2011(4) 0.0858(17) Uani 1 1 d . A .
H21 H 0.2731 0.4902 0.1519 0.103 Uiso 1 1 d R . .
C22 C 0.2469(2) 0.3589(7) 0.2178(4) 0.0854(18) Uani 1 1 d . . .
H22 H 0.2219 0.3052 0.1818 0.102 Uiso 1 1 d R A .
C23 C 0.2627(2) 0.3495(6) 0.2991(4) 0.0815(16) Uani 1 1 d . A .
H23 H 0.2503 0.2888 0.3262 0.098 Uiso 1 1 d R . .
C24 C 0.3004(2) 0.4488(6) 0.3315(3) 0.0785(16) Uani 1 1 d . A .
H24 H 0.3175 0.4646 0.3845 0.094 Uiso 1 1 d R . .
C26 C 0.4716(14) 0.510(3) 0.6650(19) 0.0707(10) Uani 0.50 1 d P A 2
H26A H 0.4965 0.5269 0.6414 0.106 Uiso 0.50 1 calc PR A 2
H26B H 0.4650 0.5917 0.6874 0.106 Uiso 0.50 1 calc PR A 2
H26C H 0.4398 0.4786 0.6261 0.106 Uiso 0.50 1 calc PR A 2
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'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe -1.1336 3.1974 '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_
_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
C26 Pd1 C26 92.6(19) 2_656 .
C26 Pd1 N1 95.3(9) 2_656 2_656
C26 Pd1 N1 171.7(10) . 2_656
C26 Pd1 N1 171.7(10) 2_656 .
C26 Pd1 N1 95.3(9) . .
N1 Pd1 N1 77.0(2) 2_656 .
C26 Pd1 Cl1 5.4(11) 2_656 2_656
C26 Pd1 Cl1 87.2(8) . 2_656
N1 Pd1 Cl1 100.6(2) 2_656 2_656
N1 Pd1 Cl1 176.4(2) . 2_656
C26 Pd1 Cl1 87.2(8) 2_656 .
C26 Pd1 Cl1 5.4(11) . .
N1 Pd1 Cl1 176.4(2) 2_656 .
N1 Pd1 Cl1 100.6(2) . .
Cl1 Pd1 Cl1 81.8(4) 2_656 .
C20 Fe1 C16 163.4(2) . .
C20 Fe1 C24 40.2(2) . .
C16 Fe1 C24 125.5(2) . .
C20 Fe1 C23 68.0(3) . .
C16 Fe1 C23 106.3(2) . .
C24 Fe1 C23 40.5(2) . .
C20 Fe1 C17 154.9(2) . .
C16 Fe1 C17 41.0(2) . .
C24 Fe1 C17 163.4(3) . .
C23 Fe1 C17 126.0(3) . .
C20 Fe1 C22 67.5(3) . .
C16 Fe1 C22 119.0(2) . .
C24 Fe1 C22 67.6(2) . .
C23 Fe1 C22 40.4(2) . .
C17 Fe1 C22 108.3(2) . .
C20 Fe1 C21 39.8(2) . .
C16 Fe1 C21 154.3(2) . .
C24 Fe1 C21 67.3(2) . .
C23 Fe1 C21 67.9(3) . .
C17 Fe1 C21 120.8(2) . .
C22 Fe1 C21 40.3(2) . .
C20 Fe1 C19 109.5(2) . .
C16 Fe1 C19 68.5(2) . .
C24 Fe1 C19 120.8(2) . .
C23 Fe1 C19 154.3(2) . .
C17 Fe1 C19 67.5(2) . .
C22 Fe1 C19 164.3(2) . .
C21 Fe1 C19 127.6(3) . .
C20 Fe1 C18 121.4(3) . .
C16 Fe1 C18 68.6(2) . .
C24 Fe1 C18 155.5(3) . .
C23 Fe1 C18 163.0(2) . .
C17 Fe1 C18 39.8(2) . .
C22 Fe1 C18 126.6(2) . .
C21 Fe1 C18 109.3(2) . .
C19 Fe1 C18 40.58(18) . .
C20 Fe1 C15 126.6(2) . .
C16 Fe1 C15 41.22(18) . .
C24 Fe1 C15 107.8(2) . .
C23 Fe1 C15 119.2(2) . .
C17 Fe1 C15 68.34(19) . .
C22 Fe1 C15 154.0(2) . .
C21 Fe1 C15 163.8(2) . .
C19 Fe1 C15 40.27(18) . .
C18 Fe1 C15 68.34(18) . .
C1 N1 C3 119.7(4) . .
C1 N1 Pd1 115.0(3) . .
C3 N1 Pd1 125.2(3) . .
N1 C1 C1 116.4(3) . 2_656
N1 C1 C2 124.4(4) . .
C1 C1 C2 119.2(3) 2_656 .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
C4 C3 C8 121.9(4) . .
C4 C3 N1 119.2(4) . .
C8 C3 N1 118.7(4) . .
C5 C4 C3 117.1(4) . .
C5 C4 C9 120.9(4) . .
C3 C4 C9 122.0(4) . .
C6 C5 C4 123.0(4) . .
C6 C5 H5 118.5 . .
C4 C5 H5 118.5 . .
C5 C6 C7 118.6(4) . .
C5 C6 C15 121.0(4) . .
C7 C6 C15 120.3(4) . .
C8 C7 C6 121.5(4) . .
C8 C7 H7 119.3 . .
C6 C7 H7 119.3 . .
C7 C8 C3 117.7(4) . .
C7 C8 C12 120.7(4) . .
C3 C8 C12 121.6(4) . .
C11 C9 C10 108.3(6) . .
C11 C9 C4 109.4(6) . .
C10 C9 C4 114.3(5) . .
C11 C9 H9 108.3 . .
C10 C9 H9 108.3 . .
C4 C9 H9 108.3 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C14 C12 C13 110.4(5) . .
C14 C12 C8 112.0(5) . .
C13 C12 C8 112.8(4) . .
C14 C12 H12 107.1 . .
C13 C12 H12 107.1 . .
C8 C12 H12 107.1 . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C19 C15 C16 106.8(4) . .
C19 C15 C6 128.4(4) . .
C16 C15 C6 124.7(4) . .
C19 C15 Fe1 69.4(3) . .
C16 C15 Fe1 68.0(3) . .
C6 C15 Fe1 128.1(3) . .
C17 C16 C15 107.3(5) . .
C17 C16 Fe1 70.1(3) . .
C15 C16 Fe1 70.8(3) . .
C17 C16 H16 126.4 . .
C15 C16 H16 126.3 . .
Fe1 C16 H16 124.6 . .
C18 C17 C16 109.2(5) . .
C18 C17 Fe1 70.5(3) . .
C16 C17 Fe1 68.9(3) . .
C18 C17 H17 125.7 . .
C16 C17 H17 125.1 . .
Fe1 C17 H17 126.5 . .
C17 C18 C19 107.6(5) . .
C17 C18 Fe1 69.7(3) . .
C19 C18 Fe1 69.6(3) . .
C17 C18 H18 126.3 . .
C19 C18 H18 126.1 . .
Fe1 C18 H18 126.2 . .
C15 C19 C18 109.0(5) . .
C15 C19 Fe1 70.3(3) . .
C18 C19 Fe1 69.8(3) . .
C15 C19 H19 125.5 . .
C18 C19 H19 125.5 . .
Fe1 C19 H19 125.5 . .
C21 C20 C24 108.9(6) . .
C21 C20 Fe1 71.2(4) . .
C24 C20 Fe1 70.2(3) . .
C21 C20 H20 126.9 . .
C24 C20 H20 124.2 . .
Fe1 C20 H20 126.8 . .
C20 C21 C22 107.8(6) . .
C20 C21 Fe1 69.1(3) . .
C22 C21 Fe1 69.6(3) . .
C20 C21 H21 125.8 . .
C22 C21 H21 126.4 . .
Fe1 C21 H21 125.4 . .
C23 C22 C21 107.9(6) . .
C23 C22 Fe1 69.3(3) . .
C21 C22 Fe1 70.0(3) . .
C23 C22 H22 125.4 . .
C21 C22 H22 126.7 . .
Fe1 C22 H22 126.3 . .
C24 C23 C22 107.2(6) . .
C24 C23 Fe1 69.7(3) . .
C22 C23 Fe1 70.2(3) . .
C24 C23 H23 126.6 . .
C22 C23 H23 126.1 . .
Fe1 C23 H23 125.6 . .
C20 C24 C23 108.2(5) . .
C20 C24 Fe1 69.6(3) . .
C23 C24 Fe1 69.8(3) . .
C20 C24 H24 126.6 . .
C23 C24 H24 125.2 . .
Fe1 C24 H24 125.0 . .
Pd1 C26 H26A 109.5 . .
Pd1 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
Pd1 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C26 2.04(3) 2_656
Pd1 C26 2.04(3) .
Pd1 N1 2.102(4) 2_656
Pd1 N1 2.102(4) .
Pd1 Cl1 2.258(6) 2_656
Pd1 Cl1 2.258(6) .
Fe1 C20 2.017(6) .
Fe1 C16 2.018(5) .
Fe1 C24 2.023(6) .
Fe1 C23 2.026(5) .
Fe1 C17 2.035(5) .
Fe1 C22 2.038(6) .
Fe1 C21 2.043(6) .
Fe1 C19 2.044(5) .
Fe1 C18 2.046(5) .
Fe1 C15 2.056(4) .
N1 C1 1.297(6) .
N1 C3 1.455(5) .
C1 C1 1.463(9) 2_656
C1 C2 1.505(6) .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 C4 1.398(6) .
C3 C8 1.402(6) .
C4 C5 1.379(6) .
C4 C9 1.542(7) .
C5 C6 1.369(6) .
C5 H5 0.9300 .
C6 C7 1.392(6) .
C6 C15 1.478(6) .
C7 C8 1.384(5) .
C7 H7 0.9300 .
C8 C12 1.515(6) .
C9 C11 1.471(10) .
C9 C10 1.498(9) .
C9 H9 0.9800 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 C14 1.497(8) .
C12 C13 1.509(7) .
C12 H12 0.9800 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C19 1.412(6) .
C15 C16 1.434(6) .
C16 C17 1.419(7) .
C16 H16 0.9298 .
C17 C18 1.389(8) .
C17 H17 0.9301 .
C18 C19 1.418(7) .
C18 H18 0.9299 .
C19 H19 0.9300 .
C20 C21 1.380(8) .
C20 C24 1.388(7) .
C20 H20 0.9301 .
C21 C22 1.406(8) .
C21 H21 0.9301 .
C22 C23 1.405(8) .
C22 H22 0.9301 .
C23 C24 1.402(8) .
C23 H23 0.9299 .
C24 H24 0.9300 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
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_4
C26 Pd1 N1 C1 22(7) 2_656 .
C26 Pd1 N1 C1 -177.9(11) . .
N1 Pd1 N1 C1 -1.1(3) 2_656 .
Cl1 Pd1 N1 C1 49(4) 2_656 .
Cl1 Pd1 N1 C1 -178.3(4) . .
C26 Pd1 N1 C3 -156(7) 2_656 .
C26 Pd1 N1 C3 4.4(11) . .
N1 Pd1 N1 C3 -178.8(4) 2_656 .
Cl1 Pd1 N1 C3 -128(3) 2_656 .
Cl1 Pd1 N1 C3 4.0(4) . .
C3 N1 C1 C1 -179.1(5) . 2_656
Pd1 N1 C1 C1 3.0(7) . 2_656
C3 N1 C1 C2 0.9(7) . .
Pd1 N1 C1 C2 -176.9(4) . .
C1 N1 C3 C4 82.4(6) . .
Pd1 N1 C3 C4 -100.1(5) . .
C1 N1 C3 C8 -100.8(5) . .
Pd1 N1 C3 C8 76.8(5) . .
C8 C3 C4 C5 5.2(8) . .
N1 C3 C4 C5 -178.0(4) . .
C8 C3 C4 C9 -176.0(5) . .
N1 C3 C4 C9 0.8(8) . .
C3 C4 C5 C6 -2.6(8) . .
C9 C4 C5 C6 178.6(5) . .
C4 C5 C6 C7 -0.7(8) . .
C4 C5 C6 C15 175.4(5) . .
C5 C6 C7 C8 1.5(7) . .
C15 C6 C7 C8 -174.6(4) . .
C6 C7 C8 C3 1.0(6) . .
C6 C7 C8 C12 179.2(4) . .
C4 C3 C8 C7 -4.5(7) . .
N1 C3 C8 C7 178.7(4) . .
C4 C3 C8 C12 177.4(4) . .
N1 C3 C8 C12 0.6(6) . .
C5 C4 C9 C11 -94.0(7) . .
C3 C4 C9 C11 87.2(7) . .
C5 C4 C9 C10 27.5(9) . .
C3 C4 C9 C10 -151.2(6) . .
C7 C8 C12 C14 -83.2(6) . .
C3 C8 C12 C14 94.8(6) . .
C7 C8 C12 C13 42.1(6) . .
C3 C8 C12 C13 -139.9(5) . .
C5 C6 C15 C19 146.7(5) . .
C7 C6 C15 C19 -37.3(7) . .
C5 C6 C15 C16 -34.2(7) . .
C7 C6 C15 C16 141.8(5) . .
C5 C6 C15 Fe1 53.7(6) . .
C7 C6 C15 Fe1 -130.3(4) . .
C20 Fe1 C15 C19 -76.5(4) . .
C16 Fe1 C15 C19 119.1(4) . .
C24 Fe1 C15 C19 -116.9(3) . .
C23 Fe1 C15 C19 -159.6(3) . .
C17 Fe1 C15 C19 80.3(3) . .
C22 Fe1 C15 C19 167.8(5) . .
C21 Fe1 C15 C19 -47.3(9) . .
C18 Fe1 C15 C19 37.3(3) . .
C20 Fe1 C15 C16 164.5(3) . .
C24 Fe1 C15 C16 124.0(3) . .
C23 Fe1 C15 C16 81.3(4) . .
C17 Fe1 C15 C16 -38.8(3) . .
C22 Fe1 C15 C16 48.7(6) . .
C21 Fe1 C15 C16 -166.3(8) . .
C19 Fe1 C15 C16 -119.1(4) . .
C18 Fe1 C15 C16 -81.8(3) . .
C20 Fe1 C15 C6 46.8(5) . .
C16 Fe1 C15 C6 -117.6(5) . .
C24 Fe1 C15 C6 6.4(5) . .
C23 Fe1 C15 C6 -36.3(5) . .
C17 Fe1 C15 C6 -156.4(5) . .
C22 Fe1 C15 C6 -68.9(7) . .
C21 Fe1 C15 C6 76.0(9) . .
C19 Fe1 C15 C6 123.3(6) . .
C18 Fe1 C15 C6 160.6(5) . .
C19 C15 C16 C17 2.3(6) . .
C6 C15 C16 C17 -177.0(4) . .
Fe1 C15 C16 C17 61.0(3) . .
C19 C15 C16 Fe1 -58.7(3) . .
C6 C15 C16 Fe1 122.0(4) . .
C20 Fe1 C16 C17 -166.2(8) . .
C24 Fe1 C16 C17 166.7(4) . .
C23 Fe1 C16 C17 126.6(4) . .
C22 Fe1 C16 C17 84.8(4) . .
C21 Fe1 C16 C17 53.9(7) . .
C19 Fe1 C16 C17 -80.0(3) . .
C18 Fe1 C16 C17 -36.2(3) . .
C15 Fe1 C16 C17 -117.4(4) . .
C20 Fe1 C16 C15 -48.8(9) . .
C24 Fe1 C16 C15 -75.9(4) . .
C23 Fe1 C16 C15 -116.0(3) . .
C17 Fe1 C16 C15 117.4(4) . .
C22 Fe1 C16 C15 -157.8(3) . .
C21 Fe1 C16 C15 171.2(5) . .
C19 Fe1 C16 C15 37.4(3) . .
C18 Fe1 C16 C15 81.2(3) . .
C15 C16 C17 C18 -2.3(6) . .
Fe1 C16 C17 C18 59.1(4) . .
C15 C16 C17 Fe1 -61.4(3) . .
C20 Fe1 C17 C18 50.0(7) . .
C16 Fe1 C17 C18 -120.7(4) . .
C24 Fe1 C17 C18 -161.4(7) . .
C23 Fe1 C17 C18 167.1(3) . .
C22 Fe1 C17 C18 125.8(3) . .
C21 Fe1 C17 C18 83.3(4) . .
C19 Fe1 C17 C18 -38.1(3) . .
C15 Fe1 C17 C18 -81.7(3) . .
C20 Fe1 C17 C16 170.8(5) . .
C24 Fe1 C17 C16 -40.7(9) . .
C23 Fe1 C17 C16 -72.1(4) . .
C22 Fe1 C17 C16 -113.5(3) . .
C21 Fe1 C17 C16 -155.9(3) . .
C19 Fe1 C17 C16 82.6(3) . .
C18 Fe1 C17 C16 120.7(4) . .
C15 Fe1 C17 C16 39.0(3) . .
C16 C17 C18 C19 1.4(6) . .
Fe1 C17 C18 C19 59.5(4) . .
C16 C17 C18 Fe1 -58.1(4) . .
C20 Fe1 C18 C17 -157.6(3) . .
C16 Fe1 C18 C17 37.3(3) . .
C24 Fe1 C18 C17 167.3(5) . .
C23 Fe1 C18 C17 -38.0(10) . .
C22 Fe1 C18 C17 -73.7(4) . .
C21 Fe1 C18 C17 -115.4(3) . .
C19 Fe1 C18 C17 118.8(5) . .
C15 Fe1 C18 C17 81.7(3) . .
C20 Fe1 C18 C19 83.6(4) . .
C16 Fe1 C18 C19 -81.5(3) . .
C24 Fe1 C18 C19 48.5(7) . .
C23 Fe1 C18 C19 -156.8(8) . .
C17 Fe1 C18 C19 -118.8(5) . .
C22 Fe1 C18 C19 167.5(4) . .
C21 Fe1 C18 C19 125.8(4) . .
C15 Fe1 C18 C19 -37.0(3) . .
C16 C15 C19 C18 -1.4(6) . .
C6 C15 C19 C18 177.8(4) . .
Fe1 C15 C19 C18 -59.2(4) . .
C16 C15 C19 Fe1 57.8(3) . .
C6 C15 C19 Fe1 -122.9(5) . .
C17 C18 C19 C15 0.0(6) . .
Fe1 C18 C19 C15 59.6(4) . .
C17 C18 C19 Fe1 -59.6(4) . .
C20 Fe1 C19 C15 124.2(3) . .
C16 Fe1 C19 C15 -38.2(3) . .
C24 Fe1 C19 C15 81.2(4) . .
C23 Fe1 C19 C15 44.6(7) . .
C17 Fe1 C19 C15 -82.6(3) . .
C22 Fe1 C19 C15 -159.9(8) . .
C21 Fe1 C19 C15 165.0(3) . .
C18 Fe1 C19 C15 -120.0(5) . .
C20 Fe1 C19 C18 -115.8(4) . .
C16 Fe1 C19 C18 81.8(4) . .
C24 Fe1 C19 C18 -158.8(4) . .
C23 Fe1 C19 C18 164.6(5) . .
C17 Fe1 C19 C18 37.4(3) . .
C22 Fe1 C19 C18 -39.9(11) . .
C21 Fe1 C19 C18 -75.0(5) . .
C15 Fe1 C19 C18 120.0(5) . .
C16 Fe1 C20 C21 -154.1(7) . .
C24 Fe1 C20 C21 -119.1(6) . .
C23 Fe1 C20 C21 -81.5(4) . .
C17 Fe1 C20 C21 47.5(8) . .
C22 Fe1 C20 C21 -37.6(4) . .
C19 Fe1 C20 C21 125.9(4) . .
C18 Fe1 C20 C21 82.6(4) . .
C15 Fe1 C20 C21 167.7(4) . .
C16 Fe1 C20 C24 -35.0(10) . .
C23 Fe1 C20 C24 37.6(4) . .
C17 Fe1 C20 C24 166.6(5) . .
C22 Fe1 C20 C24 81.5(4) . .
C21 Fe1 C20 C24 119.1(6) . .
C19 Fe1 C20 C24 -115.0(4) . .
C18 Fe1 C20 C24 -158.3(3) . .
C15 Fe1 C20 C24 -73.2(4) . .
C24 C20 C21 C22 -1.2(7) . .
Fe1 C20 C21 C22 59.1(4) . .
C24 C20 C21 Fe1 -60.3(4) . .
C16 Fe1 C21 C20 163.3(5) . .
C24 Fe1 C21 C20 37.7(4) . .
C23 Fe1 C21 C20 81.7(4) . .
C17 Fe1 C21 C20 -158.6(4) . .
C22 Fe1 C21 C20 119.3(6) . .
C19 Fe1 C21 C20 -74.5(5) . .
C18 Fe1 C21 C20 -116.3(4) . .
C15 Fe1 C21 C20 -37.7(10) . .
C20 Fe1 C21 C22 -119.3(6) . .
C16 Fe1 C21 C22 44.0(8) . .
C24 Fe1 C21 C22 -81.7(4) . .
C23 Fe1 C21 C22 -37.7(4) . .
C17 Fe1 C21 C22 82.0(5) . .
C19 Fe1 C21 C22 166.1(4) . .
C18 Fe1 C21 C22 124.4(4) . .
C15 Fe1 C21 C22 -157.1(7) . .
C20 C21 C22 C23 0.4(7) . .
Fe1 C21 C22 C23 59.2(4) . .
C20 C21 C22 Fe1 -58.8(4) . .
C20 Fe1 C22 C23 -82.0(4) . .
C16 Fe1 C22 C23 81.0(4) . .
C24 Fe1 C22 C23 -38.4(4) . .
C17 Fe1 C22 C23 124.4(4) . .
C21 Fe1 C22 C23 -119.2(6) . .
C19 Fe1 C22 C23 -163.9(8) . .
C18 Fe1 C22 C23 164.8(4) . .
C15 Fe1 C22 C23 46.5(7) . .
C20 Fe1 C22 C21 37.1(4) . .
C16 Fe1 C22 C21 -159.9(4) . .
C24 Fe1 C22 C21 80.8(4) . .
C23 Fe1 C22 C21 119.2(6) . .
C17 Fe1 C22 C21 -116.4(4) . .
C19 Fe1 C22 C21 -44.8(11) . .
C18 Fe1 C22 C21 -76.1(5) . .
C15 Fe1 C22 C21 165.6(4) . .
C21 C22 C23 C24 0.5(7) . .
Fe1 C22 C23 C24 60.1(4) . .
C21 C22 C23 Fe1 -59.6(4) . .
C20 Fe1 C23 C24 -37.3(3) . .
C16 Fe1 C23 C24 126.2(4) . .
C17 Fe1 C23 C24 166.7(3) . .
C22 Fe1 C23 C24 -118.0(6) . .
C21 Fe1 C23 C24 -80.4(4) . .
C19 Fe1 C23 C24 52.1(7) . .
C18 Fe1 C23 C24 -164.2(8) . .
C15 Fe1 C23 C24 83.4(4) . .
C20 Fe1 C23 C22 80.6(4) . .
C16 Fe1 C23 C22 -115.9(4) . .
C24 Fe1 C23 C22 118.0(6) . .
C17 Fe1 C23 C22 -75.3(5) . .
C21 Fe1 C23 C22 37.6(4) . .
C19 Fe1 C23 C22 170.1(5) . .
C18 Fe1 C23 C22 -46.2(10) . .
C15 Fe1 C23 C22 -158.6(4) . .
C21 C20 C24 C23 1.5(7) . .
Fe1 C20 C24 C23 -59.4(4) . .
C21 C20 C24 Fe1 60.9(4) . .
C22 C23 C24 C20 -1.2(7) . .
Fe1 C23 C24 C20 59.3(4) . .
C22 C23 C24 Fe1 -60.5(4) . .
C16 Fe1 C24 C20 168.4(3) . .
C23 Fe1 C24 C20 -119.4(5) . .
C17 Fe1 C24 C20 -159.9(7) . .
C22 Fe1 C24 C20 -81.1(4) . .
C21 Fe1 C24 C20 -37.3(4) . .
C19 Fe1 C24 C20 84.1(4) . .
C18 Fe1 C24 C20 49.5(7) . .
C15 Fe1 C24 C20 126.2(3) . .
C20 Fe1 C24 C23 119.4(5) . .
C16 Fe1 C24 C23 -72.2(4) . .
C17 Fe1 C24 C23 -40.5(9) . .
C22 Fe1 C24 C23 38.3(4) . .
C21 Fe1 C24 C23 82.1(4) . .
C19 Fe1 C24 C23 -156.5(4) . .
C18 Fe1 C24 C23 168.9(5) . .
C15 Fe1 C24 C23 -114.4(4) . .
