#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:21:33 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180134 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/32/7103275.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_7103275
loop_
_publ_author_name
'Zhang, Jing'
'Khaskin, Eugene'
'Anderson, Nicholas P'
'Zavalij, Peter Y'
'Vedernikov, Andrei N'
_publ_section_title
;
 Catalytic aerobic oxidation of substituted 8-methylquinolines in
 Pd(II)-2,6-pyridinedicarboxylic acid systems.
;
_journal_issue                   31
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3625
_journal_page_last               3627
_journal_paper_doi               10.1039/b803156h
_journal_year                    2008
_chemical_formula_moiety         'C21 H20 N2 O4 Pd, C H2 Cl2'
_chemical_formula_sum            'C22 H22 Cl2 N2 O4 Pd'
_chemical_formula_weight         555.72
_chemical_name_common            Pd-complex
_chemical_name_systematic
;
Pd-complex
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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 & ZCIF'
_cell_angle_alpha                95.7794(4)
_cell_angle_beta                 96.0116(4)
_cell_angle_gamma                100.7455(4)
_cell_formula_units_Z            2
_cell_length_a                   9.8530(3)
_cell_length_b                   10.5424(3)
_cell_length_c                   10.9053(3)
_cell_measurement_reflns_used    13725
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      30.9
_cell_measurement_theta_min      2.6
_cell_volume                     1098.39(5)
_computing_cell_refinement       Apex2
_computing_data_collection       'Apex2 (Bruker, 2005)'
_computing_data_reduction        Apex2
_computing_molecular_graphics    'XSHEL (Bruker, 2004)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_type            'Bruker Smart Apex II'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_details      610,610,610,1200,1200
_diffrn_measurement_device_type  'three-circle diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_measurement_specimen_support 'glass capillary'
_diffrn_orient_matrix_type       standard
_diffrn_orient_matrix_UB_11      -0.0037118
_diffrn_orient_matrix_UB_12      0.0943382
_diffrn_orient_matrix_UB_13      0.0021909
_diffrn_orient_matrix_UB_21      0.0011757
_diffrn_orient_matrix_UB_22      -0.0066522
_diffrn_orient_matrix_UB_23      -0.0919907
_diffrn_orient_matrix_UB_31      -0.1040649
_diffrn_orient_matrix_UB_32      -0.0228229
_diffrn_orient_matrix_UB_33      -0.0128651
_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  0.0209
_diffrn_reflns_av_sigmaI/netI    0.0210
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            22144
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.89
_diffrn_source_current           30
_diffrn_source_voltage           50
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.120
_exptl_absorpt_correction_T_max  0.919
_exptl_absorpt_correction_T_min  0.814
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             560
_exptl_crystal_id                'Vedern/JZhang jz-540a #2 @150K'
_exptl_crystal_size_max          0.185
_exptl_crystal_size_mid          0.075
_exptl_crystal_size_min          0.075
_refine_diff_density_max         0.691
_refine_diff_density_min         -0.593
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refU
_refine_ls_matrix_type           full
_refine_ls_number_parameters     303
_refine_ls_number_reflns         6360
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0270
_refine_ls_R_factor_gt           0.0240
_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)+(0.01P)²+1.462P], P=(max(Fo²,0)+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0514
_refine_ls_wR_factor_ref         0.0523
_reflns_number_gt                5880
_reflns_number_total             6360
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b803156h.txt
_cod_data_source_block           1596
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7103275
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
Pd1 Pd 0.248127(13) 0.444647(12) 0.452622(11) 0.01600(4) Uani 1 1 d . . .
N1 N 0.38860(14) 0.36307(13) 0.54569(13) 0.0188(3) Uani 1 1 d . . .
C10 C 0.27885(19) 0.32214(18) 0.30782(16) 0.0235(3) Uani 1 1 d . . .
H10A H 0.1904 0.2613 0.2749 0.034(6) Uiso 1 1 calc R . .
H10B H 0.3103 0.3724 0.2405 0.035(6) Uiso 1 1 calc R . .
C11 C 0.43614(19) 0.39366(18) 0.66515(16) 0.0238(3) Uani 1 1 d . . .
H11 H 0.4002 0.4572 0.7129 0.026(5) Uiso 1 1 calc R . .
C12 C 0.5385(2) 0.33479(19) 0.72353(17) 0.0271(4) Uani 1 1 d . . .
H12 H 0.5703 0.3587 0.8095 0.027(6) Uiso 1 1 calc R . .
C13 C 0.59186(19) 0.24344(18) 0.65657(17) 0.0252(4) Uani 1 1 d . . .
H13 H 0.6599 0.2028 0.6960 0.027(6) Uiso 1 1 calc R . .
C14 C 0.54519(17) 0.20971(16) 0.52813(16) 0.0208(3) Uani 1 1 d . . .
C15 C 0.59381(19) 0.11842(17) 0.44805(18) 0.0251(4) Uani 1 1 d . . .
H15 H 0.6642 0.0754 0.4794 0.027(6) Uiso 1 1 calc R . .
C16 C 0.5392(2) 0.09237(18) 0.32555(18) 0.0266(4) Uani 1 1 d . . .
H16 H 0.5717 0.0304 0.2727 0.028(6) Uiso 1 1 calc R . .
C17 C 0.43550(19) 0.15559(18) 0.27591(17) 0.0250(4) Uani 1 1 d . . .
H17 H 0.3988 0.1351 0.1906 0.031(6) Uiso 1 1 calc R . .
C18 C 0.38688(18) 0.24687(16) 0.34987(16) 0.0204(3) Uani 1 1 d . . .
C19 C 0.44212(17) 0.27237(16) 0.47573(15) 0.0184(3) Uani 1 1 d . . .
O1 O 0.21353(13) 0.56376(12) 0.61164(11) 0.0217(2) Uani 1 1 d . . .
O2 O 0.10053(13) 0.72284(12) 0.66225(11) 0.0215(2) Uani 1 1 d . . .
O3 O 0.00873(13) 0.33520(12) 0.14463(11) 0.0218(2) Uani 1 1 d . . .
H3 H -0.0213 0.3287 0.2135 0.054(8) Uiso 1 1 calc R . .
O4 O 0.15883(14) 0.47812(13) 0.06620(11) 0.0263(3) Uani 1 1 d . . .
N2 N 0.11720(14) 0.55279(13) 0.36700(12) 0.0162(2) Uani 1 1 d . A .
C21 C 0.14017(17) 0.64570(16) 0.58544(15) 0.0182(3) Uani 1 1 d . . .
C22 C 0.09384(16) 0.64997(15) 0.44917(15) 0.0171(3) Uani 1 1 d . . .
C23 C 0.02942(17) 0.74870(16) 0.41382(15) 0.0194(3) Uani 1 1 d . A .
H23 H 0.0126 0.8122 0.4756 0.019(5) Uiso 1 1 calc R . .
C24 C -0.01133(18) 0.75648(16) 0.28868(16) 0.0204(3) Uani 1 1 d . . .
C25 C 0.01091(18) 0.65565(17) 0.20537(15) 0.0214(3) Uani 1 1 d . A .
H25 H -0.0161 0.6546 0.1190 0.025(5) Uiso 1 1 calc R . .
C26 C 0.07189(17) 0.55668(16) 0.24666(15) 0.0182(3) Uani 1 1 d . . .
C27 C 0.08620(18) 0.45138(16) 0.14662(15) 0.0195(3) Uani 1 1 d . A .
C28 C -0.0697(2) 0.87054(18) 0.24455(18) 0.0266(4) Uani 0.820(14) 1 d PD A 1
C29 C -0.1577(5) 0.9221(5) 0.3383(3) 0.0342(8) Uani 0.820(14) 1 d PD A 1
H29A H -0.1856 1.0009 0.3126 0.051 Uiso 0.820(14) 1 calc PR A 1
H29B H -0.1029 0.9425 0.4206 0.051 Uiso 0.820(14) 1 calc PR A 1
H29C H -0.2410 0.8558 0.3416 0.051 Uiso 0.820(14) 1 calc PR A 1
C30 C 0.0548(4) 0.9795(4) 0.2376(8) 0.0745(19) Uani 0.820(14) 1 d PD A 1
H30A H 0.1045 0.9548 0.1685 0.112 Uiso 0.820(14) 1 calc PR A 1
H30B H 0.1178 0.9936 0.3156 0.112 Uiso 0.820(14) 1 calc PR A 1
H30C H 0.0218 1.0597 0.2242 0.112 Uiso 0.820(14) 1 calc PR A 1
C31 C -0.1633(6) 0.8326(6) 0.1203(4) 0.0719(17) Uani 0.820(14) 1 d PD A 1
H31A H -0.1070 0.8473 0.0522 0.108 Uiso 0.820(14) 1 calc PR A 1
H31B H -0.2349 0.8858 0.1164 0.108 Uiso 0.820(14) 1 calc PR A 1
H31C H -0.2079 0.7405 0.1127 0.108 Uiso 0.820(14) 1 calc PR A 1
C28A C -0.0697(2) 0.87054(18) 0.24455(18) 0.0266(4) Uani 0.180(14) 1 d PD A 2
C29A C -0.119(2) 0.9596(16) 0.3409(13) 0.0342(8) Uani 0.180(14) 1 d PD A 2
H29D H -0.1536 0.9097 0.4063 0.051 Uiso 0.180(14) 1 calc PR A 2
H29E H -0.1942 0.9965 0.3013 0.051 Uiso 0.180(14) 1 calc PR A 2
H29F H -0.0414 1.0300 0.3774 0.051 Uiso 0.180(14) 1 calc PR A 2
C30A C 0.047(2) 0.949(2) 0.186(3) 0.0745(19) Uani 0.180(14) 1 d PD A 2
H30D H 0.1364 0.9271 0.2155 0.112 Uiso 0.180(14) 1 calc PR A 2
H30E H 0.0517 1.0423 0.2083 0.112 Uiso 0.180(14) 1 calc PR A 2
H30F H 0.0294 0.9285 0.0949 0.112 Uiso 0.180(14) 1 calc PR A 2
C31A C -0.1943(19) 0.810(2) 0.147(2) 0.0719(17) Uani 0.180(14) 1 d PD A 2
H31D H -0.1801 0.7265 0.1077 0.108 Uiso 0.180(14) 1 calc PR A 2
H31E H -0.2034 0.8687 0.0840 0.108 Uiso 0.180(14) 1 calc PR A 2
H31F H -0.2794 0.7957 0.1874 0.108 Uiso 0.180(14) 1 calc PR A 2
C1 C 0.3252(2) 0.7045(2) 0.9200(2) 0.0343(4) Uani 1 1 d . . .
H1A H 0.3005 0.7094 0.8304 0.049(8) Uiso 1 1 calc R . .
H1B H 0.2472 0.6461 0.9486 0.050(8) Uiso 1 1 calc R . .
Cl1 Cl 0.47693(6) 0.63945(6) 0.94085(5) 0.04269(13) Uani 1 1 d . . .
Cl2 Cl 0.34858(9) 0.86023(7) 1.00256(7) 0.06165(19) 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'
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'
Cl Cl 0.1484 0.1585 '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 Pd1 C10 82.90(6) . . ?
N1 Pd1 N2 172.51(5) . . ?
C10 Pd1 N2 102.15(6) . . ?
N1 Pd1 O1 94.89(5) . . ?
C10 Pd1 O1 176.45(6) . . ?
N2 Pd1 O1 80.33(5) . . ?
C11 N1 C19 119.12(15) . . ?
C11 N1 Pd1 125.16(12) . . ?
C19 N1 Pd1 115.66(11) . . ?
C18 C10 Pd1 109.59(11) . . ?
C18 C10 H10A 109.8 . . ?
Pd1 C10 H10A 109.8 . . ?
C18 C10 H10B 109.8 . . ?
Pd1 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
N1 C11 C12 121.96(17) . . ?
N1 C11 H11 119.0 . . ?
C12 C11 H11 119.0 . . ?
C13 C12 C11 120.04(17) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 119.63(16) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
C19 C14 C13 117.30(16) . . ?
C19 C14 C15 117.52(16) . . ?
C13 C14 C15 125.18(16) . . ?
C16 C15 C14 119.87(16) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C17 121.42(16) . . ?
C15 C16 H16 119.3 . . ?
C17 C16 H16 119.3 . . ?
C18 C17 C16 120.72(17) . . ?
C18 C17 H17 119.6 . . ?
C16 C17 H17 119.6 . . ?
C17 C18 C19 117.70(16) . . ?
C17 C18 C10 125.79(16) . . ?
C19 C18 C10 116.50(14) . . ?
N1 C19 C18 115.30(14) . . ?
N1 C19 C14 121.94(15) . . ?
C18 C19 C14 122.75(15) . . ?
C21 O1 Pd1 113.37(10) . . ?
C27 O3 H3 109.5 . . ?
C26 N2 C22 115.93(14) . . ?
C26 N2 Pd1 132.14(11) . . ?
C22 N2 Pd1 110.98(10) . . ?
O2 C21 O1 125.70(15) . . ?
O2 C21 C22 116.97(15) . . ?
O1 C21 C22 117.32(14) . . ?
N2 C22 C23 123.17(15) . . ?
N2 C22 C21 116.96(14) . . ?
C23 C22 C21 119.87(14) . . ?
C22 C23 C24 120.96(15) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 H23 119.5 . . ?
C25 C24 C23 115.48(15) . . ?
C25 C24 C28 121.70(15) . . ?
C23 C24 C28 122.75(15) . . ?
C26 C25 C24 120.95(15) . . ?
C26 C25 H25 119.5 . . ?
C24 C25 H25 119.5 . . ?
N2 C26 C25 123.39(15) . . ?
N2 C26 C27 121.17(14) . . ?
C25 C26 C27 115.43(14) . . ?
O4 C27 O3 122.08(15) . . ?
O4 C27 C26 119.89(16) . . ?
O3 C27 C26 117.77(14) . . ?
C24 C28 C31 112.2(2) . . ?
C24 C28 C30 107.0(2) . . ?
C31 C28 C30 112.0(3) . . ?
C24 C28 C29 110.9(2) . . ?
C31 C28 C29 107.0(2) . . ?
C30 C28 C29 107.6(2) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
H29D C29A H29E 109.5 . . ?
H29D C29A H29F 109.5 . . ?
H29E C29A H29F 109.5 . . ?
H30D C30A H30E 109.5 . . ?
H30D C30A H30F 109.5 . . ?
H30E C30A H30F 109.5 . . ?
H31D C31A H31E 109.5 . . ?
H31D C31A H31F 109.5 . . ?
H31E C31A H31F 109.5 . . ?
Cl2 C1 Cl1 111.39(12) . . ?
Cl2 C1 H1A 109.3 . . ?
Cl1 C1 H1A 109.3 . . ?
Cl2 C1 H1B 109.3 . . ?
Cl1 C1 H1B 109.3 . . ?
H1A C1 H1B 108.0 . . ?
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 N1 2.0027(14) . ?
Pd1 C10 2.0220(16) . ?
Pd1 N2 2.0848(13) . ?
Pd1 O1 2.1319(12) . ?
N1 C11 1.324(2) . ?
N1 C19 1.378(2) . ?
C10 C18 1.503(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.409(2) . ?
C11 H11 0.9500 . ?
C12 C13 1.366(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.416(3) . ?
C13 H13 0.9500 . ?
C14 C19 1.414(2) . ?
C14 C15 1.417(2) . ?
C15 C16 1.368(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.411(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.379(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.402(2) . ?
O1 C21 1.261(2) . ?
O2 C21 1.2510(19) . ?
O3 C27 1.314(2) . ?
O3 H3 0.8400 . ?
O4 C27 1.211(2) . ?
N2 C26 1.348(2) . ?
N2 C22 1.361(2) . ?
C21 C22 1.516(2) . ?
C22 C23 1.382(2) . ?
C23 C24 1.397(2) . ?
C23 H23 0.9500 . ?
C24 C25 1.392(2) . ?
C24 C28 1.525(2) . ?
C25 C26 1.387(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.513(2) . ?
C28 C31 1.529(3) . ?
C28 C30 1.530(4) . ?
C28 C29 1.530(3) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C29A H29D 0.9800 . ?
C29A H29E 0.9800 . ?
C29A H29F 0.9800 . ?
C30A H30D 0.9800 . ?
C30A H30E 0.9800 . ?
C30A H30F 0.9800 . ?
C31A H31D 0.9800 . ?
C31A H31E 0.9800 . ?
C31A H31F 0.9800 . ?
C1 Cl2 1.754(2) . ?
C1 Cl1 1.761(2) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O3 H3 O2 0.84 1.72 2.5412(17) 165.9 2_566
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
C10 Pd1 N1 C11 179.18(16) . . . . ?
O1 Pd1 N1 C11 -3.61(15) . . . . ?
C10 Pd1 N1 C19 2.10(12) . . . . ?
O1 Pd1 N1 C19 179.31(11) . . . . ?
N1 Pd1 C10 C18 -1.58(12) . . . . ?
N2 Pd1 C10 C18 172.81(12) . . . . ?
C19 N1 C11 C12 -1.0(3) . . . . ?
Pd1 N1 C11 C12 -177.97(13) . . . . ?
N1 C11 C12 C13 0.2(3) . . . . ?
C11 C12 C13 C14 0.8(3) . . . . ?
C12 C13 C14 C19 -1.0(3) . . . . ?
C12 C13 C14 C15 178.87(17) . . . . ?
C19 C14 C15 C16 -1.1(3) . . . . ?
C13 C14 C15 C16 179.02(17) . . . . ?
C14 C15 C16 C17 0.6(3) . . . . ?
C15 C16 C17 C18 0.6(3) . . . . ?
C16 C17 C18 C19 -1.2(3) . . . . ?
C16 C17 C18 C10 178.99(17) . . . . ?
Pd1 C10 C18 C17 -179.17(15) . . . . ?
Pd1 C10 C18 C19 1.0(2) . . . . ?
C11 N1 C19 C18 -179.36(16) . . . . ?
Pd1 N1 C19 C18 -2.09(19) . . . . ?
C11 N1 C19 C14 0.8(2) . . . . ?
Pd1 N1 C19 C14 178.07(12) . . . . ?
C17 C18 C19 N1 -179.18(15) . . . . ?
C10 C18 C19 N1 0.7(2) . . . . ?
C17 C18 C19 C14 0.7(3) . . . . ?
C10 C18 C19 C14 -179.49(16) . . . . ?
C13 C14 C19 N1 0.2(2) . . . . ?
C15 C14 C19 N1 -179.69(15) . . . . ?
C13 C14 C19 C18 -179.65(16) . . . . ?
C15 C14 C19 C18 0.5(2) . . . . ?
N1 Pd1 O1 C21 171.09(12) . . . . ?
N2 Pd1 O1 C21 -3.10(11) . . . . ?
C10 Pd1 N2 C26 -6.58(16) . . . . ?
O1 Pd1 N2 C26 176.01(15) . . . . ?
C10 Pd1 N2 C22 -174.68(11) . . . . ?
O1 Pd1 N2 C22 7.91(10) . . . . ?
Pd1 O1 C21 O2 176.89(13) . . . . ?
Pd1 O1 C21 C22 -2.08(18) . . . . ?
C26 N2 C22 C23 -0.8(2) . . . . ?
Pd1 N2 C22 C23 169.43(13) . . . . ?
C26 N2 C22 C21 178.34(14) . . . . ?
Pd1 N2 C22 C21 -11.45(17) . . . . ?
O2 C21 C22 N2 -169.58(14) . . . . ?
O1 C21 C22 N2 9.5(2) . . . . ?
O2 C21 C22 C23 9.6(2) . . . . ?
O1 C21 C22 C23 -171.36(15) . . . . ?
N2 C22 C23 C24 -2.4(3) . . . . ?
C21 C22 C23 C24 178.52(15) . . . . ?
C22 C23 C24 C25 3.2(2) . . . . ?
C22 C23 C24 C28 -173.88(16) . . . . ?
C23 C24 C25 C26 -1.0(3) . . . . ?
C28 C24 C25 C26 176.05(17) . . . . ?
C22 N2 C26 C25 3.0(2) . . . . ?
Pd1 N2 C26 C25 -164.60(13) . . . . ?
C22 N2 C26 C27 -177.50(14) . . . . ?
Pd1 N2 C26 C27 14.9(2) . . . . ?
C24 C25 C26 N2 -2.2(3) . . . . ?
C24 C25 C26 C27 178.35(16) . . . . ?
N2 C26 C27 O4 -116.37(18) . . . . ?
C25 C26 C27 O4 63.1(2) . . . . ?
N2 C26 C27 O3 69.4(2) . . . . ?
C25 C26 C27 O3 -111.10(18) . . . . ?
C25 C24 C28 C31 28.5(4) . . . . ?
C23 C24 C28 C31 -154.6(3) . . . . ?
C25 C24 C28 C30 -94.8(4) . . . . ?
C23 C24 C28 C30 82.1(4) . . . . ?
C25 C24 C28 C29 148.1(3) . . . . ?
C23 C24 C28 C29 -35.0(3) . . . . ?
