#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/34/2213482.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2213482
loop_
_publ_author_name
'Hai-Ping Huang'
'Hong-Wei Ma'
_publ_section_title
;(μ-3,5-Diphenylpyrazolato-κ²N:N')bis(2,2':6',2''-terpyridyl-κ³N)palladium(II)
 trinitrate
;
_journal_coeditor_code           NG2236
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1202
_journal_page_last               m1203
_journal_paper_doi               10.1107/S1600536807013463
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pd2 (C15 H22 N2) (C15 H11 N3)2] (N O3)3'
_chemical_formula_moiety         'C45 H33 N8 Pd2 3+, 3(N O3 -)'
_chemical_formula_sum            'C45 H33 N11 O9 Pd2'
_chemical_formula_weight         1084.62
_chemical_name_systematic
;
(μ-3,5-Diphenylpyrazolato-κ²N:N')bis(2,2':6',2''-terpyridyl-
κ³N)palladium(II) trinitrate
;
_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                 122.96(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.917(5)
_cell_length_b                   12.191(2)
_cell_length_c                   16.116(3)
_cell_measurement_reflns_used    4879
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.51
_cell_volume                     4272(2)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 1999)'
_computing_data_reduction        RAPID-AUTO
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2001)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0454
_diffrn_reflns_av_sigmaI/netI    0.0429
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7944
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.92
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.914
_exptl_absorpt_correction_T_max  0.8750
_exptl_absorpt_correction_T_min  0.8036
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2176
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.191
_refine_diff_density_min         -0.499
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         4070
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0896
_refine_ls_R_factor_gt           0.0513
_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)+(0.026P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1362
_refine_ls_wR_factor_ref         0.1574
_reflns_number_gt                3366
_reflns_number_total             4070
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ng2236.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2213482
_cod_database_fobs_code          2213482
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd Pd1 0.57057(2) 0.79833(4) 0.26226(4) 0.0345(2) Uani d . 1 . .
O O1 0.6589(4) 0.8024(6) 0.1476(7) 0.088(2) Uani d . 1 . .
O O2 0.6063(3) 0.9279(6) 0.0400(6) 0.080(2) Uani d . 1 . .
O O3 0.7020(4) 0.9180(7) 0.1066(8) 0.103(3) Uani d . 1 . .
O O4 0.5214(9) 0.4130(12) 0.2873(13) 0.141(5) Uani d PDU 0.50 A -1
O O5 0.5001(9) 0.5779(13) 0.2748(12) 0.141(5) Uani d PD 0.50 A -1
O O6 0.5705(8) 0.5150(15) 0.4131(10) 0.141(5) Uani d PD 0.50 A -1
N N1 0.6339(3) 0.7751(5) 0.4084(5) 0.0433(17) Uani d . 1 . .
N N2 0.6052(3) 0.6636(5) 0.2528(5) 0.0429(15) Uani d . 1 . .
N N3 0.5228(3) 0.7846(5) 0.1138(5) 0.0443(16) Uani d . 1 . .
N N4 0.5310(3) 0.9373(4) 0.2657(4) 0.0341(13) Uani d . 1 . .
N N5 0.6552(4) 0.8857(6) 0.0979(6) 0.0530(19) Uani d . 1 . .
N N6 0.5309(6) 0.5052(11) 0.3264(10) 0.098(6) Uani d PDU 0.50 A -1
C C1 0.6506(3) 0.8393(7) 0.4855(6) 0.0441(19) Uani d . 1 . .
H H1 0.6324 0.9080 0.4744 0.053 Uiso calc R 1 . .
C C2 0.6935(4) 0.8089(8) 0.5804(7) 0.057(2) Uani d . 1 . .
H H2 0.7026 0.8567 0.6316 0.069 Uiso calc R 1 . .
C C3 0.7234(5) 0.7106(8) 0.6026(7) 0.068(3) Uani d . 1 . .
H H3 0.7507 0.6878 0.6674 0.081 Uiso calc R 1 . .
C C4 0.7105(4) 0.6487(7) 0.5242(7) 0.061(3) Uani d . 1 . .
H H4 0.7333 0.5851 0.5354 0.073 Uiso calc R 1 . .
C C5 0.6640(4) 0.6762(5) 0.4252(6) 0.0423(19) Uani d . 1 . .
C C6 0.6512(3) 0.6177(7) 0.3368(6) 0.0437(19) Uani d . 1 . .
C C7 0.6774(4) 0.5217(7) 0.3301(7) 0.054(2) Uani d . 1 . .
H H7 0.7082 0.4868 0.3871 0.065 Uiso calc R 1 . .
C C8 0.6576(5) 0.4783(7) 0.2383(7) 0.062(3) Uani d . 1 . .
H H8 0.6766 0.4153 0.2348 0.075 Uiso calc R 1 . .
C C9 0.6108(4) 0.5247(7) 0.1515(8) 0.062(3) Uani d . 1 . .
H H9 0.5971 0.4944 0.0899 0.074 Uiso calc R 1 . .
C C10 0.5850(4) 0.6223(6) 0.1631(6) 0.0425(18) Uani d . 1 . .
C C11 0.5379(4) 0.6916(7) 0.0847(7) 0.052(2) Uani d . 1 . .
C C12 0.5096(5) 0.6714(8) -0.0187(7) 0.068(3) Uani d . 1 . .
H H12 0.5204 0.6095 -0.0396 0.081 Uiso calc R 1 . .
C C13 0.4662(4) 0.7432(9) -0.0877(7) 0.062(2) Uani d . 1 . .
H H13 0.4458 0.7280 -0.1550 0.074 Uiso calc R 1 . .
C C14 0.4543(4) 0.8348(8) -0.0557(7) 0.056(2) Uani d . 1 . .
H H14 0.4263 0.8856 -0.1009 0.067 Uiso calc R 1 . .
C C15 0.4845(4) 0.8547(7) 0.0478(7) 0.047(2) Uani d . 1 . .
H H15 0.4766 0.9199 0.0689 0.057 Uiso calc R 1 . .
C C16 0.5000 1.1107(9) 0.2500 0.036(2) Uani d S 1 . .
H H16 0.5000 1.1869 0.2500 0.043 Uiso calc SR 1 . .
C C17 0.5501(3) 1.0417(5) 0.2761(6) 0.0333(16) Uani d . 1 . .
C C18 0.6124(3) 1.0742(6) 0.3052(6) 0.0395(18) Uani d . 1 . .
C C19 0.6449(4) 1.0168(7) 0.2758(7) 0.047(2) Uani d . 1 . .
H H19 0.6297 0.9520 0.2400 0.057 Uiso calc R 1 . .
C C20 0.7026(4) 1.0597(8) 0.3018(8) 0.057(2) Uani d . 1 . .
H H20 0.7257 1.0206 0.2836 0.068 Uiso calc R 1 . .
C C21 0.7244(4) 1.1498(10) 0.3491(7) 0.063(3) Uani d . 1 . .
H H21 0.7626 1.1745 0.3645 0.075 Uiso calc R 1 . .
C C22 0.6911(4) 1.2112(8) 0.3779(7) 0.069(3) Uani d . 1 . .
H H22 0.7067 1.2774 0.4110 0.082 Uiso calc R 1 . .
C C23 0.6358(5) 1.1737(8) 0.3572(7) 0.064(3) Uani d . 1 . .
H H23 0.6138 1.2134 0.3772 0.077 Uiso calc R 1 . .
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'
O O 0.0106 0.0060 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N2 Pd1 N4 . . 177.3(3) y
N2 Pd1 N3 . . 81.2(3) y
N4 Pd1 N3 . . 96.4(2) y
N2 Pd1 N1 . . 81.6(3) y
N4 Pd1 N1 . . 100.9(2) y
N3 Pd1 N1 . . 162.4(3) y
C1 N1 C5 . . 118.1(7) ?
C1 N1 Pd1 . . 130.6(5) ?
C5 N1 Pd1 . . 111.3(5) ?
C10 N2 C6 . . 122.8(7) ?
C10 N2 Pd1 . . 118.9(5) ?
C6 N2 Pd1 . . 118.2(6) ?
C15 N3 C11 . . 119.9(8) ?
C15 N3 Pd1 . . 128.1(6) ?
C11 N3 Pd1 . . 111.8(6) ?
C17 N4 N4 . 2_655 108.5(4) ?
C17 N4 Pd1 . . 130.4(5) ?
N4 N4 Pd1 2_655 . 119.8(2) y
O2 N5 O3 . . 121.1(8) ?
O2 N5 O1 . . 121.3(8) ?
O3 N5 O1 . . 117.5(8) ?
O5 N6 O6 . . 124.3(10) ?
O5 N6 O4 . . 116.7(10) ?
O6 N6 O4 . . 118.9(10) ?
N1 C1 C2 . . 122.8(8) ?
N1 C1 H1 . . 118.6 ?
C2 C1 H1 . . 118.6 ?
C1 C2 C3 . . 122.2(9) ?
C1 C2 H2 . . 118.9 ?
C3 C2 H2 . . 118.9 ?
C4 C3 C2 . . 115.4(8) ?
C4 C3 H3 . . 122.3 ?
C2 C3 H3 . . 122.3 ?
C3 C4 C5 . . 123.1(8) ?
C3 C4 H4 . . 118.4 ?
C5 C4 H4 . . 118.4 ?
N1 C5 C4 . . 118.0(7) ?
N1 C5 C6 . . 115.6(7) ?
C4 C5 C6 . . 125.7(7) ?
N2 C6 C7 . . 118.4(8) ?
N2 C6 C5 . . 112.7(7) ?
C7 C6 C5 . . 128.8(8) ?
C8 C7 C6 . . 119.6(8) ?
C8 C7 H7 . . 120.2 ?
C6 C7 H7 . . 120.2 ?
C9 C8 C7 . . 122.6(8) ?
C9 C8 H8 . . 118.7 ?
C7 C8 H8 . . 118.7 ?
C8 C9 C10 . . 115.2(9) ?
C8 C9 H9 . . 122.4 ?
C10 C9 H9 . . 122.4 ?
N2 C10 C9 . . 121.2(8) ?
N2 C10 C11 . . 111.7(7) ?
C9 C10 C11 . . 127.0(8) ?
N3 C11 C12 . . 118.9(8) ?
N3 C11 C10 . . 116.5(8) ?
C12 C11 C10 . . 124.6(8) ?
C13 C12 C11 . . 120.4(9) ?
C13 C12 H12 . . 119.8 ?
C11 C12 H12 . . 119.8 ?
C14 C13 C12 . . 118.5(9) ?
C14 C13 H13 . . 120.8 ?
C12 C13 H13 . . 120.8 ?
C13 C14 C15 . . 120.0(8) ?
C13 C14 H14 . . 120.0 ?
C15 C14 H14 . . 120.0 ?
N3 C15 C14 . . 122.2(8) ?
N3 C15 H15 . . 118.9 ?
C14 C15 H15 . . 118.9 ?
C17 C16 C17 2_655 . 106.5(9) ?
C17 C16 H16 2_655 . 126.7 ?
C17 C16 H16 . . 126.7 ?
N4 C17 C16 . . 108.2(6) ?
N4 C17 C18 . . 124.1(6) ?
C16 C17 C18 . . 127.6(6) ?
C19 C18 C23 . . 120.0(8) ?
C19 C18 C17 . . 122.0(7) ?
C23 C18 C17 . . 117.7(8) ?
C18 C19 C20 . . 117.4(8) ?
C18 C19 H19 . . 121.3 ?
C20 C19 H19 . . 121.3 ?
C21 C20 C19 . . 123.2(9) ?
C21 C20 H20 . . 118.4 ?
C19 C20 H20 . . 118.4 ?
C20 C21 C22 . . 120.3(9) ?
C20 C21 H21 . . 119.8 ?
C22 C21 H21 . . 119.8 ?
C23 C22 C21 . . 119.7(10) ?
C23 C22 H22 . . 120.1 ?
C21 C22 H22 . . 120.1 ?
C22 C23 C18 . . 119.3(10) ?
C22 C23 H23 . . 120.3 ?
C18 C23 H23 . . 120.3 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pd1 N2 . 1.917(7) y
Pd1 N4 . 1.997(5) y
Pd1 N3 . 2.015(7) y
Pd1 N1 . 2.029(7) y
O1 N5 . 1.265(10) ?
O2 N5 . 1.205(9) ?
O3 N5 . 1.208(9) ?
O4 N6 . 1.246(9) ?
O5 N6 . 1.180(9) ?
O6 N6 . 1.208(9) ?
N1 C1 . 1.326(11) ?
N1 C5 . 1.381(9) ?
N2 C10 . 1.340(10) ?
N2 C6 . 1.346(10) ?
N3 C15 . 1.303(10) ?
N3 C11 . 1.362(10) ?
N4 C17 . 1.343(8) ?
N4 N4 2_655 1.400(10) y
C1 C2 . 1.364(12) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.365(12) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.349(13) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.421(11) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.460(11) ?
C6 C7 . 1.388(11) ?
C7 C8 . 1.380(13) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.378(13) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.427(11) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.457(11) ?
C11 C12 . 1.430(13) ?
C12 C13 . 1.380(13) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.335(14) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.426(13) ?
C14 H14 . 0.9300 ?
C15 H15 . 0.9300 ?
C16 C17 2_655 1.404(10) ?
C16 C17 . 1.404(10) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.471(10) ?
C18 C19 . 1.363(11) ?
C18 C23 . 1.410(11) ?
C19 C20 . 1.415(11) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.280(13) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.397(15) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.362(13) ?
C22 H22 . 0.9300 ?
C23 H23 . 0.9300 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C1 H1 O2 6_576 0.93 2.52 3.350(10) 149
C7 H7 O3 4_645 0.93 2.42 2.99(2) 119
C9 H9 O6 6_565 0.93 2.54 3.42(2) 158
C12 H12 O6 6_565 0.93 2.38 3.28(2) 164
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
N2 Pd1 N1 C1 . . 173.5(8)
N4 Pd1 N1 C1 . . -7.4(8)
N3 Pd1 N1 C1 . . 161.1(8)
N2 Pd1 N1 C5 . . -4.4(6)
N4 Pd1 N1 C5 . . 174.6(5)
N3 Pd1 N1 C5 . . -16.8(12)
N3 Pd1 N2 C10 . . -0.7(6)
N1 Pd1 N2 C10 . . -176.9(6)
N3 Pd1 N2 C6 . . 175.9(6)
N1 Pd1 N2 C6 . . -0.4(6)
N2 Pd1 N3 C15 . . -174.6(7)
N4 Pd1 N3 C15 . . 6.5(7)
N1 Pd1 N3 C15 . . -162.1(8)
N2 Pd1 N3 C11 . . 1.0(6)
N4 Pd1 N3 C11 . . -177.9(5)
N1 Pd1 N3 C11 . . 13.5(12)
N3 Pd1 N4 C17 . . -97.7(7)
N1 Pd1 N4 C17 . . 78.8(7)
N3 Pd1 N4 N4 . 2_655 67.7(7)
N1 Pd1 N4 N4 . 2_655 -115.8(7)
C5 N1 C1 C2 . . -4.0(13)
Pd1 N1 C1 C2 . . 178.2(7)
N1 C1 C2 C3 . . 1.6(15)
C1 C2 C3 C4 . . 4.0(16)
C2 C3 C4 C5 . . -7.3(16)
C1 N1 C5 C4 . . 0.8(12)
Pd1 N1 C5 C4 . . 179.0(7)
C1 N1 C5 C6 . . -170.0(7)
Pd1 N1 C5 C6 . . 8.2(9)
C3 C4 C5 N1 . . 5.1(15)
C3 C4 C5 C6 . . 174.8(10)
C10 N2 C6 C7 . . -1.9(12)
Pd1 N2 C6 C7 . . -178.3(6)
C10 N2 C6 C5 . . -178.8(7)
Pd1 N2 C6 C5 . . 4.8(9)
N1 C5 C6 N2 . . -8.7(10)
C4 C5 C6 N2 . . -178.7(8)
N1 C5 C6 C7 . . 174.9(9)
C4 C5 C6 C7 . . 4.9(15)
N2 C6 C7 C8 . . 2.3(13)
C5 C6 C7 C8 . . 178.6(9)
C6 C7 C8 C9 . . -2.1(15)
C7 C8 C9 C10 . . 1.2(14)
C6 N2 C10 C9 . . 1.1(12)
Pd1 N2 C10 C9 . . 177.5(6)
C6 N2 C10 C11 . . -176.2(7)
Pd1 N2 C10 C11 . . 0.2(9)
C8 C9 C10 N2 . . -0.7(12)
C8 C9 C10 C11 . . 176.1(8)
C15 N3 C11 C12 . . -1.9(12)
Pd1 N3 C11 C12 . . -177.9(7)
C15 N3 C11 C10 . . 174.8(7)
Pd1 N3 C11 C10 . . -1.2(9)
N2 C10 C11 N3 . . 0.7(11)
C9 C10 C11 N3 . . -176.4(8)
N2 C10 C11 C12 . . 177.2(8)
C9 C10 C11 C12 . . 0.1(15)
N3 C11 C12 C13 . . -2.1(15)
C10 C11 C12 C13 . . -178.5(9)
C11 C12 C13 C14 . . 4.1(16)
C12 C13 C14 C15 . . -2.2(14)
C11 N3 C15 C14 . . 3.9(12)
Pd1 N3 C15 C14 . . 179.2(6)
C13 C14 C15 N3 . . -1.9(13)
N4 N4 C17 C16 2_655 . -0.8(9)
Pd1 N4 C17 C16 . . 165.8(4)
N4 N4 C17 C18 2_655 . -178.0(7)
Pd1 N4 C17 C18 . . -11.3(11)
C17 C16 C17 N4 2_655 . 0.3(4)
C17 C16 C17 C18 2_655 . 177.3(9)
N4 C17 C18 C19 . . 35.3(12)
C16 C17 C18 C19 . . -141.2(7)
N4 C17 C18 C23 . . -150.8(8)
C16 C17 C18 C23 . . 32.7(11)
C23 C18 C19 C20 . . 1.6(12)
C17 C18 C19 C20 . . 175.4(7)
C18 C19 C20 C21 . . -1.5(13)
C19 C20 C21 C22 . . 0.0(14)
C20 C21 C22 C23 . . 1.4(14)
C21 C22 C23 C18 . . -1.2(14)
C19 C18 C23 C22 . . -0.3(13)
C17 C18 C23 C22 . . -174.4(8)
