#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:48:47 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179816 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/12/7011252.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_7011252
loop_
_publ_author_name
'Martin Bröring'
'Carsten D. Brandt'
_publ_section_title
;
 One compound, two structures: synthesis, structures and reactivity of
 a novel (tripyrrinato)palladium(II) trifluoracetate complex TrpyPdOAcf
;
_journal_issue                   7
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              1391
_journal_page_last               1395
_journal_paper_doi               10.1039/b109510m
_journal_year                    2002
_chemical_formula_sum            'C26 H30 F3 N3 O2 Pd'
_chemical_formula_weight         579.93
_chemical_name_systematic
; 
? 
;
_chemical_temperature_decomposition 218
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.2790(10)
_cell_angle_beta                 100.8980(10)
_cell_angle_gamma                93.0320(10)
_cell_formula_units_Z            2
_cell_length_a                   8.8220(7)
_cell_length_b                   11.3413(9)
_cell_length_c                   13.9761(11)
_cell_measurement_reflns_used    7873
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.092
_cell_measurement_theta_min      2.375
_cell_volume                     1248.66(17)
_computing_cell_refinement       'Smart 5.620'
_computing_data_collection       'Smart 5.620'
_computing_data_reduction        'Saint Plus'
_computing_molecular_graphics    XP
_computing_publication_material  XP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart Apex with D8-Goniometer'
_diffrn_measurement_method       'omega 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  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0167
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            24080
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_type   sadabs2
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.542
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.006
_refine_diff_density_min         -0.278
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         4404
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0259
_refine_ls_R_factor_gt           0.0250
_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)+(0.0325P)²+1.0630P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0634
_refine_ls_wR_factor_ref         0.0639
_reflns_number_gt                4268
_reflns_number_total             4404
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b109510m.txt
_cod_data_source_block           sad
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' tag was changed to
'_chemical_temperature_decomposition' since the value had been '218
(dec.)'. The value '218 (dec.)' was changed to '218'.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7011252
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 0.1730(3) 0.3078(2) 1.07480(19) 0.0330(5) Uani 1 1 d . . .
H1A H 0.2618 0.3573 1.0682 0.050 Uiso 1 1 calc R . .
H1B H 0.1677 0.3399 1.1501 0.050 Uiso 1 1 calc R . .
H1C H 0.0764 0.3181 1.0327 0.050 Uiso 1 1 calc R . .
C2 C 0.1926(3) 0.1674(2) 1.03412(18) 0.0247(5) Uani 1 1 d . . .
C3 C 0.2623(3) 0.1083(2) 1.10348(18) 0.0260(5) Uani 1 1 d . . .
C4 C 0.2487(3) -0.0215(2) 1.04071(19) 0.0258(5) Uani 1 1 d . . .
C5 C 0.1727(3) -0.0406(2) 0.93338(18) 0.0240(5) Uani 1 1 d . . .
C6 C 0.1268(3) -0.1562(2) 0.84700(19) 0.0263(5) Uani 1 1 d . . .
H6 H 0.1548 -0.2304 0.8580 0.032 Uiso 1 1 calc R . .
C7 C 0.0425(3) -0.1803(2) 0.74285(19) 0.0265(5) Uani 1 1 d . . .
C8 C 0.0115(3) -0.3005(2) 0.6522(2) 0.0331(5) Uani 1 1 d . . .
H8 H 0.0378 -0.3812 0.6509 0.040 Uiso 1 1 calc R . .
C9 C -0.0634(3) -0.2788(2) 0.5668(2) 0.0330(5) Uani 1 1 d . . .
H9 H -0.0987 -0.3416 0.4951 0.040 Uiso 1 1 calc R . .
C10 C -0.0785(3) -0.1452(2) 0.60521(18) 0.0264(5) Uani 1 1 d . . .
C11 C -0.1397(3) -0.0800(2) 0.54123(18) 0.0265(5) Uani 1 1 d . . .
H11 H -0.1725 -0.1309 0.4664 0.032 Uiso 1 1 calc R . .
C12 C -0.1562(3) 0.0478(2) 0.57607(18) 0.0253(5) Uani 1 1 d . . .
C13 C -0.2343(3) 0.1133(2) 0.51478(19) 0.0291(5) Uani 1 1 d . . .
C14 C -0.2461(3) 0.2345(3) 0.5865(2) 0.0347(6) Uani 1 1 d . . .
C15 C -0.1747(3) 0.2426(2) 0.69184(19) 0.0315(5) Uani 1 1 d . . .
C16 C -0.1802(4) 0.3532(3) 0.7942(2) 0.0448(7) Uani 1 1 d . . .
H16A H -0.1420 0.3307 0.8544 0.067 Uiso 1 1 calc R . .
H16B H -0.2879 0.3710 0.7928 0.067 Uiso 1 1 calc R . .
H16C H -0.1143 0.4304 0.8022 0.067 Uiso 1 1 calc R . .
C17 C 0.3354(3) 0.1803(2) 1.22101(19) 0.0300(5) Uani 1 1 d . . .
H17A H 0.3455 0.1174 1.2540 0.036 Uiso 1 1 calc R . .
H17B H 0.2654 0.2410 1.2551 0.036 Uiso 1 1 calc R . .
C18 C 0.4963(3) 0.2567(3) 1.2438(2) 0.0421(6) Uani 1 1 d . . .
H18A H 0.5673 0.1968 1.2123 0.063 Uiso 1 1 calc R . .
H18B H 0.5373 0.3019 1.3213 0.063 Uiso 1 1 calc R . .
H18C H 0.4870 0.3201 1.2124 0.063 Uiso 1 1 calc R . .
C19 C 0.2997(3) -0.1270(2) 1.0734(2) 0.0287(5) Uani 1 1 d . . .
H19A H 0.2269 -0.2080 1.0285 0.034 Uiso 1 1 calc R . .
H19B H 0.2938 -0.1028 1.1487 0.034 Uiso 1 1 calc R . .
C20 C 0.4656(3) -0.1521(3) 1.0627(2) 0.0394(6) Uani 1 1 d . . .
H20A H 0.4715 -0.1792 0.9878 0.059 Uiso 1 1 calc R . .
H20B H 0.4931 -0.2207 1.0860 0.059 Uiso 1 1 calc R . .
H20C H 0.5385 -0.0725 1.1075 0.059 Uiso 1 1 calc R . .
C21 C -0.2987(3) 0.0507(3) 0.39545(19) 0.0330(5) Uani 1 1 d . . .
H21A H -0.2259 -0.0068 0.3611 0.040 Uiso 1 1 calc R . .
H21B H -0.3061 0.1188 0.3679 0.040 Uiso 1 1 calc R . .
C22 C -0.4591(3) -0.0283(3) 0.3650(2) 0.0412(6) Uani 1 1 d . . .
H22A H -0.4530 -0.0944 0.3937 0.062 Uiso 1 1 calc R . .
H22B H -0.4943 -0.0705 0.2869 0.062 Uiso 1 1 calc R . .
H22C H -0.5333 0.0292 0.3948 0.062 Uiso 1 1 calc R . .
C23 C -0.3148(4) 0.3446(3) 0.5661(2) 0.0512(8) Uani 1 1 d . . .
H23A H -0.2594 0.4280 0.6235 0.061 Uiso 1 1 calc R . .
H23B H -0.2958 0.3414 0.4975 0.061 Uiso 1 1 calc R . .
C24 C -0.4853(4) 0.3417(4) 0.5614(3) 0.0681(10) Uani 1 1 d . . .
H24A H -0.5422 0.2629 0.5009 0.102 Uiso 1 1 calc R . .
H24B H -0.5198 0.4180 0.5522 0.102 Uiso 1 1 calc R . .
H24C H -0.5059 0.3422 0.6280 0.102 Uiso 1 1 calc R . .
C25 C 0.2109(3) 0.3266(2) 0.8124(2) 0.0327(5) Uani 1 1 d . A .
C26 C 0.2773(4) 0.4725(3) 0.8643(3) 0.0503(7) Uani 1 1 d U . .
F1 F 0.2493(9) 0.5382(8) 0.9579(6) 0.098(2) Uani 0.70 1 d PU A 1
F2 F 0.4315(7) 0.4927(9) 0.8710(6) 0.085(2) Uani 0.70 1 d PU A 1
F3 F 0.2141(9) 0.5297(7) 0.8019(5) 0.0969(19) Uani 0.70 1 d PU A 1
F1' F 0.3965(18) 0.494(2) 0.8380(14) 0.088(4) Uani 0.30 1 d PU A 2
F2' F 0.178(2) 0.5383(16) 0.8441(14) 0.108(4) Uani 0.30 1 d PU A 2
F3' F 0.314(2) 0.5180(18) 0.9715(12) 0.088(4) Uani 0.30 1 d PU A 2
N1 N 0.1439(2) 0.08073(18) 0.93311(15) 0.0233(4) Uani 1 1 d . . .
N2 N -0.0170(2) -0.08672(17) 0.71368(15) 0.0237(4) Uani 1 1 d . . .
N3 N -0.1154(2) 0.13447(18) 0.68464(15) 0.0252(4) Uani 1 1 d . . .
O1 O 0.1279(2) 0.29619(15) 0.86622(13) 0.0303(4) Uani 1 1 d . . .
O2 O 0.2444(3) 0.2621(2) 0.72920(17) 0.0553(6) Uani 1 1 d . . .
Pd1 Pd 0.030543(18) 0.104650(15) 0.801054(13) 0.02171(7) Uani 1 1 d . A .
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'
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'
O O 0.0106 0.0060 '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'
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
N1 C2 C3 111.6(2) . . ?
N1 C2 C1 125.5(2) . . ?
C3 C2 C1 122.8(2) . . ?
C4 C3 C2 106.5(2) . . ?
C4 C3 C17 128.5(2) . . ?
C2 C3 C17 125.0(2) . . ?
C3 C4 C5 106.7(2) . . ?
C3 C4 C19 128.2(2) . . ?
C5 C4 C19 125.1(2) . . ?
C6 C5 N1 124.5(2) . . ?
C6 C5 C4 126.4(2) . . ?
N1 C5 C4 109.04(19) . . ?
C5 C6 C7 128.3(2) . . ?
N2 C7 C6 124.2(2) . . ?
N2 C7 C8 109.4(2) . . ?
C6 C7 C8 126.4(2) . . ?
C9 C8 C7 107.2(2) . . ?
C8 C9 C10 107.2(2) . . ?
N2 C10 C9 109.2(2) . . ?
N2 C10 C11 125.1(2) . . ?
C9 C10 C11 125.6(2) . . ?
C12 C11 C10 126.8(2) . . ?
C11 C12 N3 123.0(2) . . ?
C11 C12 C13 127.8(2) . . ?
N3 C12 C13 108.8(2) . . ?
C14 C13 C12 106.8(2) . . ?
C14 C13 C21 128.7(2) . . ?
C12 C13 C21 124.3(2) . . ?
C13 C14 C15 106.6(2) . . ?
C13 C14 C23 129.2(2) . . ?
C15 C14 C23 124.2(2) . . ?
N3 C15 C14 110.9(2) . . ?
N3 C15 C16 125.1(2) . . ?
C14 C15 C16 123.9(2) . . ?
C3 C17 C18 113.3(2) . . ?
C4 C19 C20 113.0(2) . . ?
C13 C21 C22 112.2(2) . . ?
C24 C23 C14 114.2(3) . . ?
O2 C25 O1 131.1(2) . . ?
O2 C25 C26 116.2(2) . . ?
O1 C25 C26 112.7(2) . . ?
F1' C26 F2' 110.4(12) . . ?
F1' C26 F1 124.0(10) . . ?
F2' C26 F1 77.6(9) . . ?
F1' C26 F3 83.7(10) . . ?
F2' C26 F3 31.0(8) . . ?
F1 C26 F3 105.7(5) . . ?
F1' C26 F3' 106.2(11) . . ?
F2' C26 F3' 105.0(11) . . ?
F1 C26 F3' 28.4(8) . . ?
F3 C26 F3' 129.5(9) . . ?
F1' C26 F2 22.3(10) . . ?
F2' C26 F2 126.8(9) . . ?
F1 C26 F2 109.0(5) . . ?
F3 C26 F2 104.2(5) . . ?
F3' C26 F2 86.3(9) . . ?
F1' C26 C25 112.6(10) . . ?
F2' C26 C25 111.1(9) . . ?
F1 C26 C25 115.0(4) . . ?
F3 C26 C25 109.8(4) . . ?
F3' C26 C25 111.1(9) . . ?
F2 C26 C25 112.4(5) . . ?
C2 N1 C5 106.09(19) . . ?
C2 N1 Pd1 129.59(16) . . ?
C5 N1 Pd1 124.10(15) . . ?
C7 N2 C10 106.88(19) . . ?
C7 N2 Pd1 125.97(15) . . ?
C10 N2 Pd1 125.00(15) . . ?
C15 N3 C12 106.80(19) . . ?
C15 N3 Pd1 127.79(16) . . ?
C12 N3 Pd1 124.93(15) . . ?
C25 O1 Pd1 115.24(15) . . ?
N2 Pd1 N3 90.08(8) . . ?
N2 Pd1 N1 92.05(7) . . ?
N3 Pd1 N1 169.15(7) . . ?
N2 Pd1 O1 163.52(7) . . ?
N3 Pd1 O1 89.44(7) . . ?
N1 Pd1 O1 91.51(7) . . ?
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 1.496(3) . ?
C2 N1 1.332(3) . ?
C2 C3 1.449(3) . ?
C3 C4 1.368(3) . ?
C3 C17 1.505(3) . ?
C4 C5 1.447(3) . ?
C4 C19 1.501(3) . ?
C5 C6 1.360(3) . ?
C5 N1 1.414(3) . ?
C6 C7 1.415(3) . ?
C7 N2 1.374(3) . ?
C7 C8 1.416(3) . ?
C8 C9 1.369(4) . ?
C9 C10 1.417(3) . ?
C10 N2 1.374(3) . ?
C10 C11 1.421(3) . ?
C11 C12 1.361(3) . ?
C12 N3 1.405(3) . ?
C12 C13 1.446(3) . ?
C13 C14 1.367(4) . ?
C13 C21 1.507(3) . ?
C14 C15 1.452(3) . ?
C14 C23 1.519(4) . ?
C15 N3 1.334(3) . ?
C15 C16 1.495(3) . ?
C17 C18 1.532(4) . ?
C19 C20 1.529(3) . ?
C21 C22 1.525(4) . ?
C23 C24 1.491(5) . ?
C25 O2 1.207(3) . ?
C25 O1 1.268(3) . ?
C25 C26 1.547(4) . ?
C26 F1' 1.221(15) . ?
C26 F2' 1.242(17) . ?
C26 F1 1.304(7) . ?
C26 F3 1.338(7) . ?
C26 F3' 1.343(15) . ?
C26 F2 1.346(7) . ?
N1 Pd1 2.0510(18) . ?
N2 Pd1 1.9982(18) . ?
N3 Pd1 2.0269(19) . ?
O1 Pd1 2.0565(16) . ?
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
N1 C2 C3 C4 -2.3(3) . . . . ?
C1 C2 C3 C4 175.0(2) . . . . ?
N1 C2 C3 C17 177.0(2) . . . . ?
C1 C2 C3 C17 -5.7(4) . . . . ?
C2 C3 C4 C5 0.7(2) . . . . ?
C17 C3 C4 C5 -178.7(2) . . . . ?
C2 C3 C4 C19 -178.9(2) . . . . ?
C17 C3 C4 C19 1.8(4) . . . . ?
C3 C4 C5 C6 -175.2(2) . . . . ?
C19 C4 C5 C6 4.4(4) . . . . ?
C3 C4 C5 N1 1.1(2) . . . . ?
C19 C4 C5 N1 -179.4(2) . . . . ?
N1 C5 C6 C7 -0.7(4) . . . . ?
C4 C5 C6 C7 175.0(2) . . . . ?
C5 C6 C7 N2 -4.5(4) . . . . ?
C5 C6 C7 C8 172.7(2) . . . . ?
N2 C7 C8 C9 1.7(3) . . . . ?
C6 C7 C8 C9 -175.8(2) . . . . ?
C7 C8 C9 C10 -0.1(3) . . . . ?
C8 C9 C10 N2 -1.6(3) . . . . ?
C8 C9 C10 C11 175.3(2) . . . . ?
N2 C10 C11 C12 -4.0(4) . . . . ?
C9 C10 C11 C12 179.6(2) . . . . ?
C10 C11 C12 N3 -1.2(4) . . . . ?
C10 C11 C12 C13 -172.2(2) . . . . ?
C11 C12 C13 C14 169.2(2) . . . . ?
N3 C12 C13 C14 -2.8(3) . . . . ?
C11 C12 C13 C21 -6.6(4) . . . . ?
N3 C12 C13 C21 -178.6(2) . . . . ?
C12 C13 C14 C15 0.0(3) . . . . ?
C21 C13 C14 C15 175.6(2) . . . . ?
C12 C13 C14 C23 178.7(3) . . . . ?
C21 C13 C14 C23 -5.8(5) . . . . ?
C13 C14 C15 N3 2.9(3) . . . . ?
C23 C14 C15 N3 -175.8(3) . . . . ?
C13 C14 C15 C16 -172.1(3) . . . . ?
C23 C14 C15 C16 9.1(4) . . . . ?
C4 C3 C17 C18 104.0(3) . . . . ?
C2 C3 C17 C18 -75.2(3) . . . . ?
C3 C4 C19 C20 -91.4(3) . . . . ?
C5 C4 C19 C20 89.2(3) . . . . ?
C14 C13 C21 C22 -92.8(3) . . . . ?
C12 C13 C21 C22 82.0(3) . . . . ?
C13 C14 C23 C24 88.3(4) . . . . ?
C15 C14 C23 C24 -93.2(4) . . . . ?
O2 C25 C26 F1' -25.4(10) . . . . ?
O1 C25 C26 F1' 155.2(9) . . . . ?
O2 C25 C26 F2' 99.1(9) . . . . ?
O1 C25 C26 F2' -80.3(9) . . . . ?
O2 C25 C26 F1 -175.1(5) . . . . ?
O1 C25 C26 F1 5.5(5) . . . . ?
O2 C25 C26 F3 65.9(5) . . . . ?
O1 C25 C26 F3 -113.5(4) . . . . ?
O2 C25 C26 F3' -144.4(8) . . . . ?
O1 C25 C26 F3' 36.2(9) . . . . ?
O2 C25 C26 F2 -49.6(5) . . . . ?
O1 C25 C26 F2 131.0(4) . . . . ?
C3 C2 N1 C5 2.9(2) . . . . ?
C1 C2 N1 C5 -174.3(2) . . . . ?
C3 C2 N1 Pd1 177.65(14) . . . . ?
C1 C2 N1 Pd1 0.4(3) . . . . ?
C6 C5 N1 C2 173.9(2) . . . . ?
C4 C5 N1 C2 -2.5(2) . . . . ?
C6 C5 N1 Pd1 -1.2(3) . . . . ?
C4 C5 N1 Pd1 -177.55(14) . . . . ?
C6 C7 N2 C10 174.9(2) . . . . ?
C8 C7 N2 C10 -2.7(3) . . . . ?
C6 C7 N2 Pd1 11.0(3) . . . . ?
C8 C7 N2 Pd1 -166.58(16) . . . . ?
C9 C10 N2 C7 2.6(3) . . . . ?
C11 C10 N2 C7 -174.2(2) . . . . ?
C9 C10 N2 Pd1 166.73(16) . . . . ?
C11 C10 N2 Pd1 -10.2(3) . . . . ?
C14 C15 N3 C12 -4.7(3) . . . . ?
C16 C15 N3 C12 170.4(3) . . . . ?
C14 C15 N3 Pd1 167.63(17) . . . . ?
C16 C15 N3 Pd1 -17.3(4) . . . . ?
C11 C12 N3 C15 -167.9(2) . . . . ?
C13 C12 N3 C15 4.6(3) . . . . ?
C11 C12 N3 Pd1 19.6(3) . . . . ?
C13 C12 N3 Pd1 -167.94(15) . . . . ?
O2 C25 O1 Pd1 -0.7(4) . . . . ?
C26 C25 O1 Pd1 178.59(18) . . . . ?
C7 N2 Pd1 N3 -179.21(18) . . . . ?
C10 N2 Pd1 N3 19.71(18) . . . . ?
C7 N2 Pd1 N1 -9.85(18) . . . . ?
C10 N2 Pd1 N1 -170.93(18) . . . . ?
C7 N2 Pd1 O1 92.5(3) . . . . ?
C10 N2 Pd1 O1 -68.6(3) . . . . ?
C15 N3 Pd1 N2 164.6(2) . . . . ?
C12 N3 Pd1 N2 -24.41(18) . . . . ?
C15 N3 Pd1 N1 63.2(5) . . . . ?
C12 N3 Pd1 N1 -125.8(4) . . . . ?
C15 N3 Pd1 O1 -31.9(2) . . . . ?
C12 N3 Pd1 O1 139.11(18) . . . . ?
C2 N1 Pd1 N2 -168.72(19) . . . . ?
C5 N1 Pd1 N2 5.15(17) . . . . ?
C2 N1 Pd1 N3 -67.5(4) . . . . ?
C5 N1 Pd1 N3 106.4(4) . . . . ?
C2 N1 Pd1 O1 27.38(19) . . . . ?
C5 N1 Pd1 O1 -158.75(17) . . . . ?
C25 O1 Pd1 N2 17.5(3) . . . . ?
C25 O1 Pd1 N3 -70.87(18) . . . . ?
C25 O1 Pd1 N1 119.94(18) . . . . ?
