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#$Date: 2021-10-18 11:30:11 +0300 (Mon, 18 Oct 2021) $
#$Revision: 269995 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/49/1564971.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.
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data_1564971
loop_
_publ_author_name
'Gonzalez, Rodary'
'Azpiroz, Ramón'
'Sharma, Pankaj'
'Villamizar C, Claudia P.'
'Anzaldo, Bertin'
'Pérez-Flores, Francisco J.'
'Toscano, Ruben Alfredo'
_publ_section_title
;
 Ferrocenylated Chalcogen (Se and Te)-containing N-heterocyclic carbenes:
 Selenones, silver and palladium complexes
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119531
_journal_paper_doi               10.1016/j.ica.2020.119531
_journal_volume                  506
_journal_year                    2020
_chemical_formula_sum            'C17 H20 Cl4 Fe N2 Pd Se'
_chemical_formula_weight         635.36
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 112.553(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.1490(8)
_cell_length_b                   8.1857(4)
_cell_length_c                   14.8480(5)
_cell_measurement_reflns_used    9865
_cell_measurement_temperature    250(2)
_cell_measurement_theta_max      25.34
_cell_measurement_theta_min      2.30
_cell_volume                     2149.41(16)
_computing_cell_refinement       'APEX3 v2016.1 (Bruker, 2014)'
_computing_data_collection       'APEX3 v2016.1 (Bruker, 2014)'
_computing_data_reduction        'SAINT V8.37A  (Bruker, 2014)'
_computing_molecular_graphics
'Ortep-3 Ver 2.02 L.J. Farrugia (1997) J. Appl. Cryst. 30, 565'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      250(2)
_diffrn_detector_area_resol_mean 52.0833
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
'Bruker D8 Venture κ-geometry diffractometer 208039-01'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  'Helios multilayer mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0610
_diffrn_reflns_av_unetI/netI     0.0464
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            24684
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.377
_diffrn_reflns_theta_min         2.303
_diffrn_source                   'micro-focus X-ray source'
_exptl_absorpt_coefficient_mu    3.707
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5561
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.963
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.077
_refine_diff_density_max         0.940
_refine_diff_density_min         -0.630
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     282
_refine_ls_number_reflns         3937
_refine_ls_number_restraints     191
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.0746
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0135P)²+8.2414P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.0872
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2879
_reflns_number_total             3937
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            403SHP19.cif
_cod_data_source_block           403SHP19
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1564971
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.349
_shelx_estimated_absorpt_t_max   0.763
_exptl_absorpt_special_details
;    
 The following wavelength and cell were deduced by SADABS from the
 direction cosines etc. They are given here for emergency use only:
 CELL 0.71070   14.833    8.181   19.139   89.956  112.483   90.000
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.60689(3) 0.51012(5) 0.51553(3) 0.02708(14) Uani 1 1 d . . . . .
C1 C 0.7322(4) 0.1948(8) 0.5242(4) 0.0419(17) Uani 1 1 d . . . . .
Se1 Se 0.63240(4) 0.22498(7) 0.51944(4) 0.03231(17) Uani 1 1 d . . . . .
Cl1 Cl 0.56515(10) 0.78031(17) 0.50695(11) 0.0391(4) Uani 1 1 d . . . . .
N1 N 0.5775(3) 0.4186(5) 0.3113(3) 0.0263(11) Uani 1 1 d . . . . .
Cl2 Cl 0.61823(9) 0.47860(18) 0.67953(10) 0.0384(4) Uani 1 1 d . . . . .
C2 C 0.7803(5) 0.0698(10) 0.5823(5) 0.067(2) Uani 1 1 d . . . . .
H2 H 0.768810 -0.006196 0.626673 0.080 Uiso 1 1 calc R U . . .
N2 N 0.6499(3) 0.6285(6) 0.3522(3) 0.0300(12) Uani 1 1 d . . . . .
C4 C 0.8410(5) 0.1998(15) 0.4965(6) 0.090(3) Uani 1 1 d . . . . .
H4 H 0.880211 0.230575 0.471339 0.108 Uiso 1 1 calc R U . . .
Cl4 Cl 0.96544(15) 0.7381(4) 1.00894(18) 0.1055(9) Uani 1 1 d . . . . .
C3 C 0.8472(6) 0.0746(13) 0.5638(7) 0.091(3) Uani 1 1 d . . . . .
H3 H 0.891667 0.002889 0.594315 0.109 Uiso 1 1 calc R U . . .
Cl3 Cl 0.8690(2) 0.8826(4) 0.8277(2) 0.1386(13) Uani 1 1 d . . . . .
C5 C 0.7698(4) 0.2739(11) 0.4709(5) 0.057(2) Uani 1 1 d . . . . .
H5 H 0.749878 0.365699 0.424682 0.068 Uiso 1 1 calc R U . . .
Fe1 Fe 0.83031(6) 0.29293(14) 0.61733(7) 0.0514(3) Uani 1 1 d . U . . .
C6 C 0.8947(13) 0.316(3) 0.7609(15) 0.063(3) Uani 0.523(14) 1 d . U P A 1
H6 H 0.920651 0.226031 0.805891 0.075 Uiso 0.523(14) 1 calc R U P A 1
C7 C 0.9259(13) 0.412(3) 0.7064(15) 0.064(3) Uani 0.523(14) 1 d . U P A 1
H7 H 0.976945 0.397838 0.705510 0.077 Uiso 0.523(14) 1 calc R U P A 1
C8 C 0.8709(13) 0.532(3) 0.6513(14) 0.060(3) Uani 0.523(14) 1 d . U P A 1
H8 H 0.876608 0.615753 0.606233 0.072 Uiso 0.523(14) 1 calc R U P A 1
C9 C 0.8070(11) 0.507(3) 0.6775(13) 0.054(3) Uani 0.523(14) 1 d . U P A 1
H9 H 0.758941 0.568910 0.650433 0.064 Uiso 0.523(14) 1 calc R U P A 1
C10 C 0.8211(15) 0.377(3) 0.7437(13) 0.060(3) Uani 0.523(14) 1 d . U P A 1
H10 H 0.786047 0.334816 0.772925 0.072 Uiso 0.523(14) 1 calc R U P A 1
C6A C 0.8619(15) 0.317(3) 0.7633(16) 0.058(3) Uani 0.477(14) 1 d . U P A 2
H6A H 0.854441 0.235123 0.807843 0.070 Uiso 0.477(14) 1 calc R U P A 2
C8A C 0.9127(16) 0.461(3) 0.6715(16) 0.065(3) Uani 0.477(14) 1 d . U P A 2
H8A H 0.947121 0.501358 0.640910 0.078 Uiso 0.477(14) 1 calc R U P A 2
C7A C 0.9266(13) 0.332(3) 0.7397(14) 0.058(3) Uani 0.477(14) 1 d . U P A 2
H7A H 0.971936 0.261332 0.763552 0.069 Uiso 0.477(14) 1 calc R U P A 2
C9A C 0.8396(14) 0.523(3) 0.6580(16) 0.064(3) Uani 0.477(14) 1 d . U P A 2
H9A H 0.814369 0.616246 0.615283 0.076 Uiso 0.477(14) 1 calc R U P A 2
C10A C 0.8112(14) 0.439(3) 0.7137(17) 0.060(3) Uani 0.477(14) 1 d . U P A 2
H10A H 0.761276 0.458568 0.717304 0.073 Uiso 0.477(14) 1 calc R U P A 2
C11 C 0.5797(4) 0.1494(7) 0.3849(4) 0.0333(15) Uani 1 1 d . . . . .
H11A H 0.617165 0.110663 0.359784 0.040 Uiso 1 1 calc R U . . .
H11B H 0.547330 0.056596 0.384858 0.040 Uiso 1 1 calc R U . . .
C12 C 0.5316(3) 0.2794(7) 0.3171(4) 0.0311(14) Uani 1 1 d . . . . .
H12A H 0.505775 0.232826 0.251854 0.037 Uiso 1 1 calc R U . . .
H12B H 0.492959 0.316629 0.340584 0.037 Uiso 1 1 calc R U . . .
C13 C 0.5962(3) 0.4555(7) 0.2324(4) 0.0331(15) Uani 1 1 d . . . . .
H13 H 0.580906 0.399011 0.172798 0.040 Uiso 1 1 calc R U . . .
C14 C 0.6404(4) 0.5872(8) 0.2579(4) 0.0362(16) Uani 1 1 d . . . . .
H14 H 0.661475 0.642284 0.218789 0.043 Uiso 1 1 calc R U . . .
C15 C 0.6107(3) 0.5236(7) 0.3850(4) 0.0262(13) Uani 1 1 d . . . . .
C16 C 0.6999(4) 0.7591(7) 0.4086(5) 0.0409(16) Uani 1 1 d . . . . .
H16A H 0.681450 0.800770 0.456517 0.061 Uiso 1 1 calc R U . . .
H16B H 0.700816 0.846640 0.365055 0.061 Uiso 1 1 calc R U . . .
H16C H 0.750627 0.716200 0.441557 0.061 Uiso 1 1 calc R U . . .
C17 C 0.9112(6) 0.7081(12) 0.8895(6) 0.100(3) Uani 1 1 d . . . . .
H17A H 0.871675 0.628455 0.884598 0.120 Uiso 1 1 calc R U . . .
H17B H 0.942730 0.660687 0.857522 0.120 Uiso 1 1 calc R U . . .
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'
Fe Fe 0.3463 0.8444 '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'
Se Se -0.0929 2.2259 '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
C15 Pd1 Cl1 91.98(16) . .
C15 Pd1 Cl2 172.52(16) . .
Cl1 Pd1 Cl2 93.07(5) . .
C15 Pd1 Se1 89.65(16) . .
Cl1 Pd1 Se1 172.39(5) . .
Cl2 Pd1 Se1 86.06(4) . .
C5 C1 C2 108.5(7) . .
C5 C1 Se1 129.8(5) . .
C2 C1 Se1 121.6(6) . .
C5 C1 Fe1 70.2(4) . .
C2 C1 Fe1 69.9(4) . .
Se1 C1 Fe1 129.1(3) . .
C1 Se1 C11 96.6(3) . .
C1 Se1 Pd1 108.8(2) . .
C11 Se1 Pd1 105.29(17) . .
C15 N1 C13 110.8(5) . .
C15 N1 C12 123.9(4) . .
C13 N1 C12 125.3(5) . .
C3 C2 C1 106.7(8) . .
C3 C2 Fe1 69.6(5) . .
C1 C2 Fe1 69.0(4) . .
C15 N2 C14 109.6(5) . .
C15 N2 C16 126.2(5) . .
C14 N2 C16 124.0(5) . .
C3 C4 C5 108.3(8) . .
C3 C4 Fe1 69.8(5) . .
C5 C4 Fe1 70.1(4) . .
C4 C3 C2 109.0(8) . .
C4 C3 Fe1 69.8(5) . .
C2 C3 Fe1 69.9(5) . .
C4 C5 C1 107.5(8) . .
C4 C5 Fe1 69.5(4) . .
C1 C5 Fe1 69.0(4) . .
C9A Fe1 C10A 39.5(9) . .
C9A Fe1 C8A 42.1(9) . .
C10A Fe1 C8A 68.7(10) . .
C9A Fe1 C6A 67.9(10) . .
C10A Fe1 C6A 40.4(9) . .
C8A Fe1 C6A 68.8(10) . .
C9A Fe1 C1 122.8(7) . .
C10A Fe1 C1 110.4(7) . .
C8A Fe1 C1 157.6(7) . .
C6 Fe1 C1 142.1(8) . .
C6A Fe1 C1 126.0(7) . .
C9A Fe1 C3 162.6(9) . .
C10A Fe1 C3 154.8(9) . .
C8A Fe1 C3 122.6(9) . .
C6 Fe1 C3 111.8(7) . .
C6A Fe1 C3 118.5(9) . .
C1 Fe1 C3 68.2(3) . .
C9A Fe1 C4 127.1(9) . .
C10A Fe1 C4 164.4(9) . .
C8A Fe1 C4 106.2(8) . .
C6 Fe1 C4 137.7(7) . .
C6A Fe1 C4 153.2(9) . .
C1 Fe1 C4 68.3(3) . .
C3 Fe1 C4 40.4(4) . .
C9A Fe1 C2 156.5(8) . .
C10A Fe1 C2 121.4(9) . .
C8A Fe1 C2 159.2(8) . .
C6 Fe1 C2 113.0(8) . .
C6A Fe1 C2 106.2(8) . .
C1 Fe1 C2 41.1(3) . .
C3 Fe1 C2 40.6(4) . .
C4 Fe1 C2 68.6(4) . .
C9A Fe1 C5 110.4(7) . .
C10A Fe1 C5 128.5(7) . .
C8A Fe1 C5 121.0(7) . .
C6 Fe1 C5 177.1(8) . .
C6A Fe1 C5 164.4(8) . .
C1 Fe1 C5 40.8(3) . .
C3 Fe1 C5 68.1(4) . .
C4 Fe1 C5 40.4(3) . .
C2 Fe1 C5 68.9(3) . .
C6 Fe1 C7 40.6(8) . .
C1 Fe1 C7 175.0(7) . .
C3 Fe1 C7 115.7(7) . .
C4 Fe1 C7 112.4(7) . .
C2 Fe1 C7 144.0(7) . .
C5 Fe1 C7 136.6(7) . .
C9A Fe1 C7A 68.5(9) . .
C10A Fe1 C7A 67.9(9) . .
C8A Fe1 C7A 40.6(7) . .
C6A Fe1 C7A 40.6(7) . .
C1 Fe1 C7A 161.4(7) . .
C3 Fe1 C7A 105.1(7) . .
C4 Fe1 C7A 118.6(7) . .
C2 Fe1 C7A 122.7(7) . .
C5 Fe1 C7A 154.6(7) . .
C7 C6 C10 108.0(19) . .
C7 C6 Fe1 70.6(11) . .
C10 C6 Fe1 71.4(10) . .
C6 C7 C8 109.2(18) . .
C6 C7 Fe1 68.7(11) . .
C8 C7 Fe1 71.5(10) . .
C9 C8 C7 105.0(17) . .
C9 C8 Fe1 69.8(10) . .
C7 C8 Fe1 67.7(11) . .
C10 C9 C8 110.2(18) . .
C10 C9 Fe1 69.4(10) . .
C8 C9 Fe1 70.1(11) . .
C9 C10 C6 107.6(19) . .
C9 C10 Fe1 71.2(10) . .
C6 C10 Fe1 67.9(11) . .
C10A C6A C7A 108(2) . .
C10A C6A Fe1 69.0(12) . .
C7A C6A Fe1 71.0(11) . .
C7A C8A C9A 106(2) . .
C7A C8A Fe1 71.4(11) . .
C9A C8A Fe1 67.2(13) . .
C8A C7A C6A 108(2) . .
C8A C7A Fe1 68.0(11) . .
C6A C7A Fe1 68.4(11) . .
C10A C9A C8A 110(2) . .
C10A C9A Fe1 71.8(13) . .
C8A C9A Fe1 70.6(13) . .
C9A C10A C6A 109(2) . .
C9A C10A Fe1 68.8(13) . .
C6A C10A Fe1 70.5(12) . .
C12 C11 Se1 113.6(4) . .
N1 C12 C11 111.2(5) . .
C14 C13 N1 106.1(5) . .
C13 C14 N2 107.9(5) . .
N1 C15 N2 105.6(4) . .
N1 C15 Pd1 125.5(4) . .
N2 C15 Pd1 128.8(4) . .
Cl4 C17 Cl3 114.3(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pd1 C15 1.970(5) .
Pd1 Cl1 2.3385(15) .
Pd1 Cl2 2.3743(13) .
Pd1 Se1 2.3808(7) .
C1 C5 1.416(10) .
C1 C2 1.425(9) .
C1 Se1 1.900(7) .
C1 Fe1 2.024(7) .
Se1 C11 1.962(6) .
N1 C15 1.345(7) .
N1 C13 1.383(7) .
N1 C12 1.462(7) .
C2 C3 1.410(12) .
C2 Fe1 2.035(9) .
N2 C15 1.348(7) .
N2 C14 1.383(7) .
N2 C16 1.465(7) .
C4 C3 1.404(14) .
C4 C5 1.405(11) .
C4 Fe1 2.031(8) .
Cl4 C17 1.694(9) .
C3 Fe1 2.031(9) .
Cl3 C17 1.723(10) .
C5 Fe1 2.040(6) .
Fe1 C9A 1.97(2) .
Fe1 C10A 2.00(2) .
Fe1 C8A 2.01(2) .
Fe1 C6 2.02(2) .
Fe1 C6A 2.02(2) .
Fe1 C7 2.05(2) .
Fe1 C7A 2.057(19) .
C6 C7 1.41(3) .
C6 C10 1.42(3) .
C7 C8 1.45(3) .
C8 C9 1.44(2) .
C9 C10 1.40(2) .
C6A C10A 1.39(3) .
C6A C7A 1.42(3) .
C8A C7A 1.41(3) .
C8A C9A 1.43(3) .
C9A C10A 1.34(3) .
C11 C12 1.510(8) .
C13 C14 1.333(8) .
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
C5 C1 C2 C3 0.1(8) . . . .
Se1 C1 C2 C3 176.1(5) . . . .
Fe1 C1 C2 C3 -59.7(5) . . . .
C5 C1 C2 Fe1 59.8(5) . . . .
Se1 C1 C2 Fe1 -124.3(5) . . . .
C5 C4 C3 C2 -0.7(10) . . . .
Fe1 C4 C3 C2 59.0(6) . . . .
C5 C4 C3 Fe1 -59.8(6) . . . .
C1 C2 C3 C4 0.4(9) . . . .
Fe1 C2 C3 C4 -59.0(6) . . . .
C1 C2 C3 Fe1 59.3(5) . . . .
C3 C4 C5 C1 0.8(9) . . . .
Fe1 C4 C5 C1 -58.7(5) . . . .
C3 C4 C5 Fe1 59.5(6) . . . .
C2 C1 C5 C4 -0.6(8) . . . .
Se1 C1 C5 C4 -176.1(5) . . . .
Fe1 C1 C5 C4 59.0(5) . . . .
C2 C1 C5 Fe1 -59.6(5) . . . .
Se1 C1 C5 Fe1 124.9(5) . . . .
C10 C6 C7 C8 -2(2) . . . .
Fe1 C6 C7 C8 60.3(13) . . . .
C10 C6 C7 Fe1 -62.0(12) . . . .
C6 C7 C8 C9 1.6(19) . . . .
Fe1 C7 C8 C9 60.2(11) . . . .
C6 C7 C8 Fe1 -58.6(13) . . . .
C7 C8 C9 C10 -1.0(18) . . . .
Fe1 C8 C9 C10 57.9(11) . . . .
C7 C8 C9 Fe1 -58.8(12) . . . .
C8 C9 C10 C6 -0.1(18) . . . .
Fe1 C9 C10 C6 58.3(12) . . . .
C8 C9 C10 Fe1 -58.3(11) . . . .
C7 C6 C10 C9 1.1(19) . . . .
Fe1 C6 C10 C9 -60.4(11) . . . .
C7 C6 C10 Fe1 61.5(13) . . . .
C9A C8A C7A C6A 2(2) . . . .
Fe1 C8A C7A C6A -57.1(13) . . . .
C9A C8A C7A Fe1 58.7(13) . . . .
C10A C6A C7A C8A -3(2) . . . .
Fe1 C6A C7A C8A 56.8(13) . . . .
C10A C6A C7A Fe1 -59.5(13) . . . .
C7A C8A C9A C10A 0(2) . . . .
Fe1 C8A C9A C10A 61.4(15) . . . .
C7A C8A C9A Fe1 -61.4(13) . . . .
C8A C9A C10A C6A -2(2) . . . .
Fe1 C9A C10A C6A 59.1(14) . . . .
C8A C9A C10A Fe1 -60.8(15) . . . .
C7A C6A C10A C9A 3(2) . . . .
Fe1 C6A C10A C9A -58.0(15) . . . .
C7A C6A C10A Fe1 60.7(13) . . . .
C15 N1 C12 C11 -69.5(7) . . . .
C13 N1 C12 C11 106.7(6) . . . .
Se1 C11 C12 N1 60.8(6) . . . .
C15 N1 C13 C14 -1.2(6) . . . .
C12 N1 C13 C14 -177.9(5) . . . .
N1 C13 C14 N2 1.2(6) . . . .
C15 N2 C14 C13 -0.8(7) . . . .
C16 N2 C14 C13 174.8(5) . . . .
C13 N1 C15 N2 0.8(6) . . . .
C12 N1 C15 N2 177.4(5) . . . .
C13 N1 C15 Pd1 -175.2(4) . . . .
C12 N1 C15 Pd1 1.5(7) . . . .
C14 N2 C15 N1 0.0(6) . . . .
C16 N2 C15 N1 -175.5(5) . . . .
C14 N2 C15 Pd1 175.8(4) . . . .
C16 N2 C15 Pd1 0.3(8) . . . .
