#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/48/4304845.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_4304845
loop_
_publ_author_name
'Maria Pia Donzello'
'Elisa Viola'
'Xiaohui Cai'
'Luisa Mannina'
'Corrado Rizzoli'
'Giampaolo Ricciardi'
'Claudio Ercolani'
'Karl M. Kadish'
'Angela Rosa'
_publ_contact_author
;
 Prof. Corrado Rizzoli
 Universitá degli Studi di Parma
 Dipartimento di Chimica Generale ed Inorganica,
 Chimica Analitica, Chimica Fisica
 Viale G. P. Usberti 17/A
 I-43100 Parma"
 Italy
;
_publ_section_title
;
Tetra-2,3-pyrazinoporphyrazines with Externally Appended Pyridine Rings. 5.
Synthesis, Physicochemical and Theoretical Studies of a Novel Pentanuclear
Palladium(II) Complex and Related Mononuclear Species
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3903
_journal_page_last               3919
_journal_paper_doi               10.1021/ic702430j
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C16 H8 Cl2 N6 Pd, 0.75(C2 H3 N)'
_chemical_formula_sum            'C17.5 H10.25 Cl2 N6.75 Pd'
_chemical_formula_weight         492.37
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             16/01/2007
_audit_creation_method           'ModiCIF v2.00'
_cell_angle_alpha                90.00
_cell_angle_beta                 100.606(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.618(2)
_cell_length_b                   13.123(2)
_cell_length_c                   28.273(3)
_cell_measurement_reflns_used    2430
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14.36
_cell_measurement_theta_min      3.20
_cell_volume                     4236.9(11)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELX97-L (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'ω 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  0.1626
_diffrn_reflns_av_sigmaI/netI    0.2843
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            21207
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.47
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.143
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1940
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.847
_refine_diff_density_min         -0.628
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.743
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     559
_refine_ls_number_reflns         7841
_refine_ls_number_restraints     198
_refine_ls_restrained_S_all      0.736
_refine_ls_R_factor_all          0.2561
_refine_ls_R_factor_gt           0.0631
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/[σ²(Fo²)]
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0738
_refine_ls_wR_factor_ref         0.0952
_reflns_number_gt                2094
_reflns_number_total             7841
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic702430j-file002.cif
_cod_data_source_block           er25
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C17.50 H10.25 Cl2 N6.75 Pd'
_cod_database_code               4304845
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.15822(7) -0.06948(6) 0.29348(3) 0.0760(3) Uani 1 1 d . . .
Pd2 Pd 0.29405(7) 0.29533(6) 0.55182(3) 0.0752(3) Uani 1 1 d . . .
Cl1 Cl 0.1002(2) 0.09617(19) 0.29408(12) 0.1097(12) Uani 1 1 d . . .
Cl2 Cl 0.1661(3) -0.0636(2) 0.21397(12) 0.1244(12) Uani 1 1 d . . .
Cl3 Cl 0.2354(2) 0.13495(19) 0.52877(11) 0.0932(11) Uani 1 1 d . . .
Cl4 Cl 0.4827(2) 0.26128(19) 0.54377(11) 0.0919(10) Uani 1 1 d . . .
N1 N 0.4976(8) -0.1425(6) 0.3353(3) 0.073(3) Uani 1 1 d . . .
N2 N 0.4307(9) -0.0123(6) 0.4073(3) 0.069(3) Uani 1 1 d . . .
N3 N 0.6788(8) 0.1347(6) 0.4346(3) 0.083(3) Uani 1 1 d . . .
N4 N 0.7624(7) -0.0390(7) 0.3275(4) 0.110(4) Uani 1 1 d . . .
N5 N 0.2166(8) -0.2163(6) 0.2979(3) 0.061(2) Uani 1 1 d . . .
N6 N 0.1484(9) -0.0811(6) 0.3617(3) 0.061(3) Uani 1 1 d . . .
N7 N 0.3776(9) 0.3886(7) 0.6946(5) 0.083(3) Uani 1 1 d . . .
N8 N 0.1722(9) 0.2845(8) 0.6807(5) 0.083(3) Uani 1 1 d . . .
N9 N 0.1982(16) 0.1514(8) 0.7870(6) 0.187(7) Uani 1 1 d . . .
N10 N 0.4919(15) 0.3191(12) 0.8116(5) 0.171(6) Uani 1 1 d . . .
N11 N 0.3410(6) 0.4413(5) 0.5723(4) 0.060(2) Uani 1 1 d . . .
N12 N 0.1249(8) 0.3353(6) 0.5595(5) 0.065(3) Uani 1 1 d . . .
C1 C 0.3922(9) -0.1483(7) 0.3487(4) 0.061(3) Uani 1 1 d . . .
C2 C 0.3556(10) -0.0831(7) 0.3837(4) 0.061(3) Uani 1 1 d . . .
C3 C 0.5374(10) -0.0039(7) 0.3929(4) 0.063(3) Uani 1 1 d . . .
C4 C 0.5670(9) -0.0683(9) 0.3573(4) 0.067(3) Uani 1 1 d . . .
C5 C 0.6150(10) 0.0744(9) 0.4152(4) 0.081(4) Uani 1 1 d . . .
C6 C 0.6772(10) -0.0537(8) 0.3403(5) 0.091(4) Uani 1 1 d . . .
C7 C 0.3190(10) -0.2370(7) 0.3275(4) 0.064(3) Uani 1 1 d . . .
C8 C 0.3585(10) -0.3367(8) 0.3373(4) 0.090(4) Uani 1 1 d . . .
H8 H 0.4281 -0.3502 0.3585 0.108 Uiso 1 1 calc R . .
C9 C 0.2914(11) -0.4126(10) 0.3147(6) 0.120(5) Uani 1 1 d . . .
H9 H 0.3168 -0.4795 0.3201 0.144 Uiso 1 1 calc R . .
C10 C 0.1852(11) -0.3945(8) 0.2835(5) 0.100(5) Uani 1 1 d . . .
H10 H 0.1400 -0.4468 0.2673 0.120 Uiso 1 1 calc R . .
C11 C 0.1519(9) -0.2920(9) 0.2783(4) 0.084(4) Uani 1 1 d . . .
H11 H 0.0793 -0.2769 0.2597 0.101 Uiso 1 1 calc R . .
C12 C 0.2378(11) -0.0862(7) 0.3985(5) 0.060(3) Uani 1 1 d . . .
C13 C 0.2385(9) -0.0924(7) 0.4453(5) 0.071(4) Uani 1 1 d . . .
H13 H 0.3091 -0.0965 0.4670 0.085 Uiso 1 1 calc R . .
C14 C 0.1334(15) -0.0929(8) 0.4619(5) 0.098(5) Uani 1 1 d . . .
H14 H 0.1293 -0.0964 0.4944 0.117 Uiso 1 1 calc R . .
C15 C 0.0354(12) -0.0876(9) 0.4260(6) 0.096(5) Uani 1 1 d . . .
H15 H -0.0381 -0.0875 0.4347 0.115 Uiso 1 1 calc R . .
C16 C 0.0418(10) -0.0824(7) 0.3783(5) 0.080(4) Uani 1 1 d . . .
H16 H -0.0275 -0.0796 0.3558 0.096 Uiso 1 1 calc R . .
C17 C 0.3103(14) 0.3968(9) 0.6535(5) 0.074(4) Uani 1 1 d . . .
C18 C 0.1978(14) 0.3405(9) 0.6459(6) 0.083(4) Uani 1 1 d . . .
C19 C 0.2462(19) 0.2748(11) 0.7212(6) 0.114(7) Uani 1 1 d . . .
C20 C 0.3550(14) 0.3305(10) 0.7300(5) 0.083(4) Uani 1 1 d . . .
C21 C 0.2168(15) 0.2060(11) 0.7571(6) 0.133(6) Uani 1 1 d . . .
C22 C 0.4344(19) 0.3250(13) 0.7756(6) 0.140(8) Uani 1 1 d . . .
C23 C 0.3414(9) 0.4688(9) 0.6184(5) 0.072(4) Uani 1 1 d . . .
C24 C 0.3817(10) 0.5694(9) 0.6347(4) 0.096(4) Uani 1 1 d . . .
H24 H 0.3856 0.5901 0.6664 0.115 Uiso 1 1 calc R . .
C25 C 0.4135(12) 0.6324(10) 0.6009(6) 0.118(6) Uani 1 1 d . . .
H25 H 0.4365 0.6986 0.6098 0.142 Uiso 1 1 calc R . .
C26 C 0.4132(11) 0.6026(10) 0.5542(6) 0.112(6) Uani 1 1 d . . .
H26 H 0.4375 0.6463 0.5321 0.135 Uiso 1 1 calc R . .
C27 C 0.3740(10) 0.5023(9) 0.5413(5) 0.093(4) Uani 1 1 d . . .
H27 H 0.3721 0.4798 0.5100 0.111 Uiso 1 1 calc R . .
C28 C 0.1080(14) 0.3538(8) 0.6042(7) 0.087(5) Uani 1 1 d . . .
C29 C -0.0108(14) 0.3829(9) 0.6069(6) 0.110(5) Uani 1 1 d . . .
H29 H -0.0315 0.3978 0.6364 0.132 Uiso 1 1 calc R . .
C30 C -0.0944(16) 0.3881(13) 0.5639(8) 0.157(10) Uani 1 1 d . . .
H30 H -0.1712 0.4061 0.5651 0.189 Uiso 1 1 calc R . .
C31 C -0.0639(16) 0.3674(12) 0.5215(8) 0.146(8) Uani 1 1 d . . .
H31 H -0.1199 0.3719 0.4935 0.175 Uiso 1 1 calc R . .
C32 C 0.0475(13) 0.3399(9) 0.5187(6) 0.102(5) Uani 1 1 d . . .
H32 H 0.0686 0.3249 0.4893 0.123 Uiso 1 1 calc R . .
N13A N 0.2644(18) 0.4089(11) 0.4282(7) 0.171(7) Uani 0.85 1 d PDU A 1
C33A C 0.2724(19) 0.3230(14) 0.4231(9) 0.171(9) Uani 0.85 1 d PDU A 1
C34A C 0.2871(15) 0.2169(10) 0.4089(6) 0.162(8) Uani 0.85 1 d PDU A 1
H34A H 0.3146 0.2155 0.3789 0.243 Uiso 0.85 1 calc PR A 1
H34B H 0.2133 0.1822 0.4053 0.243 Uiso 0.85 1 calc PR A 1
H34C H 0.3430 0.1836 0.4333 0.243 Uiso 0.85 1 calc PR A 1
N13B N 0.212(10) 0.370(7) 0.390(4) 0.22(3) Uani 0.15 1 d PDU B 2
C33B C 0.177(10) 0.288(6) 0.389(5) 0.199(19) Uani 0.15 1 d PDU B 2
C34B C 0.169(9) 0.179(6) 0.395(4) 0.18(3) Uani 0.15 1 d PDU B 2
H34D H 0.0885 0.1593 0.3892 0.264 Uiso 0.15 1 calc PR B 2
H34E H 0.2054 0.1612 0.4271 0.264 Uiso 0.15 1 calc PR B 2
H34F H 0.2088 0.1450 0.3724 0.264 Uiso 0.15 1 calc PR B 2
N14A N -0.104(2) 0.3764(19) 0.4185(8) 0.097(9) Uani 0.35 1 d PDU C 1
C35A C -0.098(3) 0.311(2) 0.3927(11) 0.067(10) Uani 0.35 1 d PDU C 1
C36A C -0.104(3) 0.2219(18) 0.3633(9) 0.104(11) Uani 0.35 1 d PDU C 1
H36A H -0.1700 0.1812 0.3681 0.156 Uiso 0.35 1 calc PR C 1
H36B H -0.0337 0.1831 0.3719 0.156 Uiso 0.35 1 calc PR C 1
H36C H -0.1143 0.2414 0.3300 0.156 Uiso 0.35 1 calc PR C 1
N14B N 0.017(5) 0.376(4) 0.391(2) 0.12(2) Uani 0.15 1 d PDU D 2
C35B C -0.034(6) 0.305(4) 0.398(4) 0.097(17) Uani 0.15 1 d PDU D 2
C36B C -0.079(6) 0.207(5) 0.408(3) 0.12(2) Uani 0.15 1 d PDU D 2
H36D H -0.0214 0.1556 0.4059 0.175 Uiso 0.15 1 calc PR D 2
H36E H -0.1494 0.1927 0.3861 0.175 Uiso 0.15 1 calc PR D 2
H36F H -0.0946 0.2076 0.4406 0.175 Uiso 0.15 1 calc PR D 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Pd Pd -0.9988 1.0072 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N6 Pd1 N5 86.8(3) . . ?
N6 Pd1 Cl2 177.3(2) . . ?
N5 Pd1 Cl2 91.1(3) . . ?
N6 Pd1 Cl1 89.8(3) . . ?
N5 Pd1 Cl1 175.8(3) . . ?
Cl2 Pd1 Cl1 92.35(12) . . ?
N11 Pd2 N12 86.7(3) . . ?
N11 Pd2 Cl3 178.1(2) . . ?
N12 Pd2 Cl3 91.4(3) . . ?
N11 Pd2 Cl4 90.0(2) . . ?
N12 Pd2 Cl4 176.6(2) . . ?
Cl3 Pd2 Cl4 91.87(10) . . ?
C4 N1 C1 114.1(9) . . ?
C2 N2 C3 116.1(9) . . ?
C11 N5 C7 118.9(9) . . ?
C11 N5 Pd1 122.3(8) . . ?
C7 N5 Pd1 118.2(7) . . ?
C12 N6 C16 110.5(10) . . ?
C12 N6 Pd1 126.5(9) . . ?
C16 N6 Pd1 123.0(10) . . ?
C17 N7 C20 124.3(13) . . ?
C19 N8 C18 120.8(14) . . ?
C27 N11 C23 122.6(10) . . ?
C27 N11 Pd2 118.9(9) . . ?
C23 N11 Pd2 118.5(8) . . ?
C32 N12 C28 128.3(13) . . ?
C32 N12 Pd2 115.0(10) . . ?
C28 N12 Pd2 116.7(10) . . ?
N1 C1 C2 124.2(10) . . ?
N1 C1 C7 114.1(10) . . ?
C2 C1 C7 121.5(10) . . ?
N2 C2 C1 120.2(10) . . ?
N2 C2 C12 114.6(10) . . ?
C1 C2 C12 125.3(10) . . ?
N2 C3 C4 121.0(10) . . ?
N2 C3 C5 117.1(11) . . ?
C4 C3 C5 121.9(12) . . ?
N1 C4 C3 124.3(10) . . ?
N1 C4 C6 115.5(11) . . ?
C3 C4 C6 120.1(11) . . ?
N3 C5 C3 177.1(14) . . ?
N4 C6 C4 177.7(13) . . ?
N5 C7 C8 122.1(10) . . ?
N5 C7 C1 117.5(9) . . ?
C8 C7 C1 120.4(11) . . ?
C9 C8 C7 117.2(12) . . ?
C9 C8 H8 121.4 . . ?
C7 C8 H8 121.4 . . ?
C8 C9 C10 122.6(12) . . ?
C8 C9 H9 118.7 . . ?
C10 C9 H9 118.7 . . ?
C9 C10 C11 115.0(11) . . ?
C9 C10 H10 122.5 . . ?
C11 C10 H10 122.5 . . ?
N5 C11 C10 124.1(11) . . ?
N5 C11 H11 118.0 . . ?
C10 C11 H11 118.0 . . ?
C13 C12 N6 130.1(11) . . ?
C13 C12 C2 116.2(13) . . ?
N6 C12 C2 113.7(11) . . ?
C12 C13 C14 119.6(12) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
C15 C14 C13 114.3(13) . . ?
C15 C14 H14 122.9 . . ?
C13 C14 H14 122.9 . . ?
C16 C15 C14 122.7(14) . . ?
C16 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
C15 C16 N6 122.8(12) . . ?
C15 C16 H16 118.6 . . ?
N6 C16 H16 118.6 . . ?
N7 C17 C23 119.0(15) . . ?
N7 C17 C18 117.7(12) . . ?
C23 C17 C18 123.0(14) . . ?
N8 C18 C28 117.1(15) . . ?
N8 C18 C17 119.2(14) . . ?
C28 C18 C17 123.2(13) . . ?
N8 C19 C20 121.1(15) . . ?
N8 C19 C21 118(2) . . ?
C20 C19 C21 120.6(18) . . ?
N7 C20 C22 121.5(16) . . ?
N7 C20 C19 116.8(14) . . ?
C22 C20 C19 121.6(16) . . ?
N9 C21 C19 177(2) . . ?
N10 C22 C20 177(3) . . ?
N11 C23 C24 119.6(10) . . ?
N11 C23 C17 121.6(12) . . ?
C24 C23 C17 118.7(13) . . ?
C25 C24 C23 116.3(12) . . ?
C25 C24 H24 121.9 . . ?
C23 C24 H24 121.9 . . ?
C24 C25 C26 123.1(15) . . ?
C24 C25 H25 118.4 . . ?
C26 C25 H25 118.4 . . ?
C25 C26 C27 117.0(13) . . ?
C25 C26 H26 121.5 . . ?
C27 C26 H26 121.5 . . ?
N11 C27 C26 121.3(12) . . ?
N11 C27 H27 119.3 . . ?
C26 C27 H27 119.3 . . ?
N12 C28 C18 123.0(13) . . ?
N12 C28 C29 113.9(15) . . ?
C18 C28 C29 123.0(15) . . ?
C30 C29 C28 118.7(15) . . ?
C30 C29 H29 120.7 . . ?
C28 C29 H29 120.7 . . ?
C31 C30 C29 120(2) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C32 121(2) . . ?
C30 C31 H31 119.4 . . ?
C32 C31 H31 119.4 . . ?
N12 C32 C31 117.4(16) . . ?
N12 C32 H32 121.3 . . ?
C31 C32 H32 121.3 . . ?
N13A C33A C34A 171(3) . . ?
C33A C34A H34A 109.5 . . ?
C33A C34A H34B 109.5 . . ?
H34A C34A H34B 109.5 . . ?
C33A C34A H34C 109.5 . . ?
H34A C34A H34C 109.5 . . ?
H34B C34A H34C 109.5 . . ?
N13B C33B C34B 163(10) . . ?
C33B C34B H34D 109.5 . . ?
C33B C34B H34E 109.5 . . ?
H34D C34B H34E 109.5 . . ?
C33B C34B H34F 109.5 . . ?
H34D C34B H34F 109.5 . . ?
H34E C34B H34F 109.5 . . ?
N14A C35A C36A 171(4) . . ?
C35A C36A H36A 109.5 . . ?
C35A C36A H36B 109.5 . . ?
H36A C36A H36B 109.5 . . ?
C35A C36A H36C 109.5 . . ?
H36A C36A H36C 109.5 . . ?
H36B C36A H36C 109.5 . . ?
N14B C35B C36B 170(7) . . ?
C35B C36B H36D 109.5 . . ?
C35B C36B H36E 109.5 . . ?
H36D C36B H36E 109.5 . . ?
C35B C36B H36F 109.5 . . ?
H36D C36B H36F 109.5 . . ?
H36E C36B H36F 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
Pd1 N6 1.960(9) . ?
Pd1 N5 2.039(8) . ?
Pd1 Cl2 2.268(3) . ?
Pd1 Cl1 2.277(3) . ?
Pd2 N11 2.046(8) . ?
Pd2 N12 2.083(8) . ?
Pd2 Cl3 2.270(3) . ?
Pd2 Cl4 2.289(2) . ?
N1 C4 1.342(11) . ?
N1 C1 1.349(10) . ?
N2 C2 1.362(11) . ?
N2 C3 1.379(11) . ?
N3 C5 1.153(11) . ?
N4 C6 1.132(11) . ?
N5 C11 1.306(10) . ?
N5 C7 1.349(11) . ?
N6 C12 1.328(12) . ?
N6 C16 1.402(11) . ?
N7 C17 1.281(12) . ?
N7 C20 1.323(13) . ?
N8 C19 1.306(17) . ?
N8 C18 1.306(13) . ?
N9 C21 1.160(16) . ?
N10 C22 1.112(18) . ?
N11 C27 1.296(10) . ?
N11 C23 1.351(11) . ?
N12 C32 1.327(13) . ?
N12 C28 1.337(13) . ?
C1 C2 1.430(12) . ?
C1 C7 1.500(12) . ?
C2 C12 1.503(12) . ?
C3 C4 1.405(12) . ?
C3 C5 1.433(12) . ?
C4 C6 1.461(12) . ?
C7 C8 1.398(11) . ?
C8 C9 1.351(13) . ?
C8 H8 0.9300 . ?
C9 C10 1.399(14) . ?
C9 H9 0.9300 . ?
C10 C11 1.400(12) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C13 1.326(12) . ?
C13 C14 1.386(13) . ?
C13 H13 0.9300 . ?
C14 C15 1.380(14) . ?
C14 H14 0.9300 . ?
C15 C16 1.367(13) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C23 1.462(13) . ?
C17 C18 1.482(15) . ?
C18 C28 1.433(15) . ?
C19 C20 1.443(19) . ?
C19 C21 1.444(18) . ?
C20 C22 1.442(19) . ?
C23 C24 1.448(12) . ?
C24 C25 1.365(13) . ?
C24 H24 0.9300 . ?
C25 C26 1.374(15) . ?
C25 H25 0.9300 . ?
C26 C27 1.419(14) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 C29 1.447(15) . ?
C29 C30 1.410(18) . ?
C29 H29 0.9300 . ?
C30 C31 1.34(2) . ?
C30 H30 0.9300 . ?
C31 C32 1.360(16) . ?
C31 H31 0.9300 . ?
C32 H32 0.9300 . ?
N13A C33A 1.142(14) . ?
C33A C34A 1.467(14) . ?
C34A H34A 0.9600 . ?
C34A H34B 0.9600 . ?
C34A H34C 0.9600 . ?
N13B C33B 1.15(2) . ?
C33B C34B 1.44(2) . ?
C34B H34D 0.9600 . ?
C34B H34E 0.9600 . ?
C34B H34F 0.9600 . ?
N14A C35A 1.135(8) . ?
C35A C36A 1.431(9) . ?
C36A H36A 0.9600 . ?
C36A H36B 0.9600 . ?
C36A H36C 0.9600 . ?
N14B C35B 1.140(10) . ?
C35B C36B 1.432(10) . ?
C36B H36D 0.9600 . ?
C36B H36E 0.9600 . ?
C36B H36F 0.9600 . ?
