#------------------------------------------------------------------------------
#$Date: 2024-07-05 19:26:56 +0300 (Fri, 05 Jul 2024) $
#$Revision: 293072 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/62/7716257.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_7716257
loop_
_publ_author_name
'Bousfiha, Asmae'
'Abidi, Oumaima'
'Lemetayer, Louis'
'Sood, Navya'
'Tolbatov, Iogann'
'Barrois, Fabien'
'Daher, Ahmad'
'Cattey, Hélène'
'Cordier, Marie'
'Hissler, Muriel'
'Hierso, Jean-Cyrille'
'Fleurat-Lessard, Paul'
'Bouit, Pierre-Antoine'
'Roger, Julien'
_publ_section_title
;
 Molecular engineering of 3-arylated tetrazo[1,2-b]indazoles:
 divergent synthesis and structure-property relationships.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10737
_journal_page_last               10743
_journal_paper_doi               10.1039/d4dt01122h
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C19 H12 Cl F N6 Pd, C H2 Cl2'
_chemical_formula_sum            'C20 H14 Cl3 F N6 Pd'
_chemical_formula_weight         570.12
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-03-08
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-02-13 deposited with the CCDC.	2024-05-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.702(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.5390(4)
_cell_length_b                   11.8671(4)
_cell_length_c                   16.1812(6)
_cell_measurement_reflns_used    9881
_cell_measurement_temperature    115
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.53
_cell_volume                     2098.77(13)
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2020)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      115
_diffrn_detector                 'CCD Plate'
_diffrn_detector_area_resol_mean '512 x 512'
_diffrn_detector_type            APEX2
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_collimation    '0.6 mm'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_unetI/netI     0.0185
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            54114
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.509
_diffrn_reflns_theta_min         2.533
_diffrn_source                   'X-ray tube'
_diffrn_source_current           5.0
_diffrn_source_power             0.1
_diffrn_source_target            Mo
_diffrn_source_type              'Siemens KFF Mo 2K-180'
_diffrn_source_voltage           20.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.296
_exptl_absorpt_correction_T_max  0.2616
_exptl_absorpt_correction_T_min  0.2270
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0471 before and 0.0431 after correction.
The Ratio of minimum to maximum transmission is 0.8677.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_description       prism
_exptl_crystal_F_000             1128
_exptl_crystal_recrystallization_method
'The material was recrystallised from a mixture of DCM and pyridine  by slow evaporation'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.393
_refine_diff_density_min         -0.576
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     280
_refine_ls_number_reflns         4819
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0271
_refine_ls_R_factor_gt           0.0203
_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)+(0.0167P)²+1.9606P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0436
_refine_ls_wR_factor_ref         0.0468
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4210
_reflns_number_total             4819
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt01122h2.cif
_cod_data_source_block           2FTzIn_PdClPy
_cod_depositor_comments
'Adding full bibliography for 7716255--7716259.cif.'
_cod_database_code               7716257
_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_max   0.881
_shelx_estimated_absorpt_t_min   0.738
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C10(H10), C11(H11), C12(H12), C13(H13), C15(H15),
 C16(H16), C17(H17), C18(H18), C19(H19)
;
_olex2_diffrn_ambient_temperature_device 'Oxford Cryosystems'
_olex2_exptl_crystal_mounting_method
'The crystal was mounted on a mylar loop with oil'
_olex2_submission_special_instructions 'No special instructions were received'
_publcif_funding_html
;
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_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
C1 C 0.43990(16) 0.11791(16) 0.23851(11) 0.0165(4) Uani 1 1 d . . . . .
C2 C 0.46497(17) 0.04763(17) 0.17718(12) 0.0205(4) Uani 1 1 d . . . . .
H2 H 0.445457 -0.030255 0.175922 0.025 Uiso 1 1 calc R U . . .
C3 C 0.51820(18) 0.09042(17) 0.11792(12) 0.0235(4) Uani 1 1 d . . . . .
H3 H 0.532937 0.041497 0.075891 0.028 Uiso 1 1 calc R U . . .
C4 C 0.55019(18) 0.20314(17) 0.11899(12) 0.0231(4) Uani 1 1 d . . . . .
H4 H 0.588205 0.231663 0.079207 0.028 Uiso 1 1 calc R U . . .
C5 C 0.52537(17) 0.27234(16) 0.17916(12) 0.0197(4) Uani 1 1 d . . . . .
C6 C 0.46867(16) 0.23381(15) 0.23784(11) 0.0165(4) Uani 1 1 d . . . . .
C7 C 0.43338(16) 0.30419(15) 0.29948(12) 0.0155(4) Uani 1 1 d . . . . .
C8 C 0.35835(16) 0.40302(15) 0.41794(11) 0.0149(4) Uani 1 1 d . . . . .
C9 C 0.32822(16) 0.48528(15) 0.47074(12) 0.0159(4) Uani 1 1 d . . . . .
C10 C 0.28499(17) 0.48146(16) 0.54223(12) 0.0191(4) Uani 1 1 d . . . . .
H10 H 0.268727 0.411815 0.565303 0.023 Uiso 1 1 calc R U . . .
C11 C 0.26700(18) 0.58274(16) 0.57773(13) 0.0221(4) Uani 1 1 d . . . . .
H11 H 0.238099 0.583087 0.626490 0.027 Uiso 1 1 calc R U . . .
C12 C 0.29069(18) 0.68623(16) 0.54303(13) 0.0232(4) Uani 1 1 d . . . . .
H12 H 0.276470 0.754514 0.568875 0.028 Uiso 1 1 calc R U . . .
C13 C 0.33377(17) 0.69131(16) 0.47287(13) 0.0210(4) Uani 1 1 d . . . . .
H13 H 0.349098 0.761358 0.449909 0.025 Uiso 1 1 calc R U . . .
C14 C 0.35399(16) 0.58847(15) 0.43687(12) 0.0170(4) Uani 1 1 d . . . . .
C15 C 0.20496(17) -0.02035(15) 0.42811(12) 0.0177(4) Uani 1 1 d . . . . .
H15 H 0.162555 -0.048594 0.371537 0.021 Uiso 1 1 calc R U . . .
C16 C 0.15817(18) -0.04222(16) 0.49504(13) 0.0212(4) Uani 1 1 d . . . . .
H16 H 0.084234 -0.083477 0.484227 0.025 Uiso 1 1 calc R U . . .
C17 C 0.22031(19) -0.00329(16) 0.57806(13) 0.0223(4) Uani 1 1 d . . . . .
H17 H 0.189969 -0.017479 0.625142 0.027 Uiso 1 1 calc R U . . .
C18 C 0.32775(18) 0.05686(16) 0.59117(12) 0.0208(4) Uani 1 1 d . . . . .
H18 H 0.372879 0.083970 0.647554 0.025 Uiso 1 1 calc R U . . .
C19 C 0.36808(17) 0.07669(15) 0.52055(12) 0.0178(4) Uani 1 1 d . . . . .
H19 H 0.441313 0.118528 0.529640 0.021 Uiso 1 1 calc R U . . .
Cl1 Cl 0.35520(4) -0.11400(4) 0.29697(3) 0.01894(9) Uani 1 1 d . . . . .
F F 0.55929(11) 0.38244(10) 0.18125(8) 0.0263(3) Uani 1 1 d . . . . .
N1 N 0.38801(13) 0.24205(12) 0.35445(9) 0.0149(3) Uani 1 1 d . . . . .
N2 N 0.35144(13) 0.29260(12) 0.41442(9) 0.0149(3) Uani 1 1 d . . . . .
N3 N 0.44259(14) 0.41533(13) 0.29971(10) 0.0164(3) Uani 1 1 d . . . . .
N4 N 0.40169(13) 0.46467(12) 0.35935(10) 0.0153(3) Uani 1 1 d . . . . .
N5 N 0.39994(14) 0.57429(13) 0.36809(10) 0.0185(3) Uani 1 1 d . . . . .
N6 N 0.30804(14) 0.03926(12) 0.43971(10) 0.0155(3) Uani 1 1 d . . . . .
Pd Pd 0.37286(2) 0.07493(2) 0.33282(2) 0.01374(4) Uani 1 1 d . . . . .
C20 C 0.99297(19) 0.18039(18) 0.29342(13) 0.0256(4) Uani 1 1 d . . . . .
H20A H 1.035927 0.219597 0.257699 0.031 Uiso 1 1 calc R U . . .
H20B H 1.015912 0.099732 0.296711 0.031 Uiso 1 1 calc R U . . .
Cl2 Cl 0.83335(5) 0.19390(5) 0.24347(4) 0.03694(13) Uani 1 1 d . . . . .
Cl3 Cl 1.03871(5) 0.23859(5) 0.39955(3) 0.03495(13) Uani 1 1 d . . . . .
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'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
C2 C1 C6 118.19(17) . . ?
C2 C1 Pd 127.84(14) . . ?
C6 C1 Pd 113.92(13) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 C1 120.69(18) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 119.4 . . ?
C4 C3 C2 121.24(18) . . ?
C4 C3 H3 119.4 . . ?
C3 C4 H4 120.9 . . ?
C5 C4 C3 118.10(18) . . ?
C5 C4 H4 120.9 . . ?
C4 C5 C6 122.55(18) . . ?
F C5 C4 117.92(17) . . ?
F C5 C6 119.52(17) . . ?
C1 C6 C7 115.75(16) . . ?
C5 C6 C1 119.15(17) . . ?
C5 C6 C7 125.09(17) . . ?
N1 C7 C6 112.46(15) . . ?
N3 C7 C6 122.28(16) . . ?
N3 C7 N1 125.24(16) . . ?
N2 C8 C9 133.85(17) . . ?
N2 C8 N4 121.22(16) . . ?
N4 C8 C9 104.91(15) . . ?
C10 C9 C8 134.41(17) . . ?
C10 C9 C14 121.61(17) . . ?
C14 C9 C8 103.97(16) . . ?
C9 C10 H10 121.4 . . ?
C11 C10 C9 117.26(17) . . ?
C11 C10 H10 121.4 . . ?
C10 C11 H11 119.4 . . ?
C10 C11 C12 121.26(18) . . ?
C12 C11 H11 119.4 . . ?
C11 C12 H12 118.9 . . ?
C13 C12 C11 122.14(18) . . ?
C13 C12 H12 118.9 . . ?
C12 C13 H13 121.5 . . ?
C12 C13 C14 117.09(18) . . ?
C14 C13 H13 121.5 . . ?
C13 C14 C9 120.62(17) . . ?
N5 C14 C9 112.84(16) . . ?
N5 C14 C13 126.54(17) . . ?
C16 C15 H15 118.6 . . ?
N6 C15 H15 118.6 . . ?
N6 C15 C16 122.70(18) . . ?
C15 C16 H16 120.4 . . ?
C15 C16 C17 119.18(18) . . ?
C17 C16 H16 120.4 . . ?
C16 C17 H17 120.7 . . ?
C16 C17 C18 118.69(18) . . ?
C18 C17 H17 120.7 . . ?
C17 C18 H18 120.6 . . ?
C19 C18 C17 118.79(18) . . ?
C19 C18 H18 120.6 . . ?
C18 C19 H19 118.6 . . ?
N6 C19 C18 122.81(17) . . ?
N6 C19 H19 118.6 . . ?
C7 N1 Pd 116.36(12) . . ?
N2 N1 C7 120.49(15) . . ?
N2 N1 Pd 123.06(11) . . ?
C8 N2 N1 117.14(15) . . ?
C7 N3 N4 113.07(15) . . ?
N3 N4 C8 122.77(14) . . ?
N5 N4 C8 114.94(15) . . ?
N5 N4 N3 122.28(15) . . ?
N4 N5 C14 103.31(14) . . ?
C15 N6 Pd 121.02(12) . . ?
C19 N6 C15 117.81(16) . . ?
C19 N6 Pd 121.17(12) . . ?
C1 Pd Cl1 94.65(6) . . ?
C1 Pd N1 81.20(7) . . ?
C1 Pd N6 175.69(7) . . ?
N1 Pd Cl1 175.52(4) . . ?
N1 Pd N6 95.04(6) . . ?
N6 Pd Cl1 89.16(4) . . ?
H20A C20 H20B 108.1 . . ?
Cl2 C20 H20A 109.5 . . ?
Cl2 C20 H20B 109.5 . . ?
Cl2 C20 Cl3 110.62(11) . . ?
Cl3 C20 H20A 109.5 . . ?
Cl3 C20 H20B 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
C1 C2 1.396(3) . ?
C1 C6 1.416(3) . ?
C1 Pd 1.9860(18) . ?
C2 H2 0.9500 . ?
C2 C3 1.390(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.372(3) . ?
C5 C6 1.392(2) . ?
C5 F 1.361(2) . ?
C6 C7 1.456(2) . ?
C7 N1 1.381(2) . ?
C7 N3 1.323(2) . ?
C8 C9 1.412(2) . ?
C8 N2 1.313(2) . ?
C8 N4 1.410(2) . ?
C9 C10 1.400(3) . ?
C9 C14 1.412(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.376(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.413(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.379(3) . ?
C13 H13 0.9500 . ?
C13 C14 1.404(3) . ?
C14 N5 1.388(2) . ?
C15 H15 0.9500 . ?
C15 C16 1.381(3) . ?
C15 N6 1.344(2) . ?
C16 H16 0.9500 . ?
C16 C17 1.384(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.387(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.385(3) . ?
C19 H19 0.9500 . ?
C19 N6 1.344(2) . ?
Cl1 Pd 2.3085(5) . ?
N1 N2 1.320(2) . ?
N1 Pd 2.0118(15) . ?
N3 N4 1.337(2) . ?
N4 N5 1.309(2) . ?
N6 Pd 2.1354(15) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 Cl2 1.765(2) . ?
C20 Cl3 1.767(2) . ?
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
C1 C2 C3 C4 1.3(3) . . . . ?
C1 C6 C7 N1 6.0(2) . . . . ?
C1 C6 C7 N3 -172.63(16) . . . . ?
C2 C1 C6 C5 -2.8(3) . . . . ?
C2 C1 C6 C7 176.22(16) . . . . ?
C2 C3 C4 C5 -1.4(3) . . . . ?
C3 C4 C5 C6 -0.7(3) . . . . ?
C3 C4 C5 F 178.62(17) . . . . ?
C4 C5 C6 C1 2.8(3) . . . . ?
C4 C5 C6 C7 -176.11(18) . . . . ?
C5 C6 C7 N1 -175.02(17) . . . . ?
C5 C6 C7 N3 6.3(3) . . . . ?
C6 C1 C2 C3 0.8(3) . . . . ?
C6 C7 N1 N2 -179.89(15) . . . . ?
C6 C7 N1 Pd -3.23(19) . . . . ?
C6 C7 N3 N4 177.88(15) . . . . ?
C7 N1 N2 C8 1.1(2) . . . . ?
C7 N3 N4 C8 2.5(2) . . . . ?
C7 N3 N4 N5 -178.06(16) . . . . ?
C8 C9 C10 C11 179.45(19) . . . . ?
C8 C9 C14 C13 179.32(17) . . . . ?
C8 C9 C14 N5 -1.1(2) . . . . ?
C8 N4 N5 C14 0.5(2) . . . . ?
C9 C8 N2 N1 179.45(18) . . . . ?
C9 C8 N4 N3 178.18(15) . . . . ?
C9 C8 N4 N5 -1.3(2) . . . . ?
C9 C10 C11 C12 0.3(3) . . . . ?
C9 C14 N5 N4 0.4(2) . . . . ?
C10 C9 C14 C13 -1.7(3) . . . . ?
C10 C9 C14 N5 177.86(16) . . . . ?
C10 C11 C12 C13 -0.6(3) . . . . ?
C11 C12 C13 C14 -0.2(3) . . . . ?
C12 C13 C14 C9 1.3(3) . . . . ?
C12 C13 C14 N5 -178.12(18) . . . . ?
C13 C14 N5 N4 179.90(18) . . . . ?
C14 C9 C10 C11 0.8(3) . . . . ?
C15 C16 C17 C18 0.2(3) . . . . ?
C16 C15 N6 C19 1.3(3) . . . . ?
C16 C15 N6 Pd -178.00(14) . . . . ?
C16 C17 C18 C19 0.7(3) . . . . ?
C17 C18 C19 N6 -0.6(3) . . . . ?
C18 C19 N6 C15 -0.4(3) . . . . ?
C18 C19 N6 Pd 178.89(14) . . . . ?
F C5 C6 C1 -176.49(16) . . . . ?
F C5 C6 C7 4.6(3) . . . . ?
N1 C7 N3 N4 -0.6(3) . . . . ?
N2 C8 C9 C10 3.7(4) . . . . ?
N2 C8 C9 C14 -177.51(19) . . . . ?
N2 C8 N4 N3 -2.8(3) . . . . ?
N2 C8 N4 N5 177.77(16) . . . . ?
N3 C7 N1 N2 -1.3(3) . . . . ?
N3 C7 N1 Pd 175.39(14) . . . . ?
N3 N4 N5 C14 -178.90(15) . . . . ?
N4 C8 C9 C10 -177.5(2) . . . . ?
N4 C8 C9 C14 1.35(18) . . . . ?
N4 C8 N2 N1 0.7(2) . . . . ?
N6 C15 C16 C17 -1.2(3) . . . . ?
Pd C1 C2 C3 -176.53(14) . . . . ?
Pd C1 C6 C5 174.92(13) . . . . ?
Pd C1 C6 C7 -6.1(2) . . . . ?
Pd N1 N2 C8 -175.29(12) . . . . ?
