#------------------------------------------------------------------------------
#$Date: 2025-07-06 16:48:14 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300550 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/45/1574590.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_1574590
loop_
_publ_author_name
'Xue, Minying'
'To, Wai-Pong'
'Cheng, Gang'
'Zhang, Yuzhen'
'Tang, Zhou'
'Du, Lili'
'Low, Kam-Hung'
'Wan, Qingyun'
'Che, Chi-Ming'
_publ_section_title
;
 3MMLCT excited states of luminescent binuclear PdII complexes: excited
 state inner-sphere electron-transfer reactions and application
;
_journal_issue                   24
_journal_name_full               'Chemical Science'
_journal_page_first              10701
_journal_page_last               10713
_journal_paper_doi               10.1039/D4SC08612K
_journal_volume                  16
_journal_year                    2025
_chemical_formula_moiety         'C68 H70 N6 Pd2, C H2 Cl2'
_chemical_formula_sum            'C69 H72 Cl2 N6 Pd2'
_chemical_formula_weight         1269.02
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2021-11-08
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2024-05-04 deposited with the CCDC.	2025-05-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 125.365(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.7870(19)
_cell_length_b                   14.0679(9)
_cell_length_c                   18.2253(14)
_cell_measurement_reflns_used    272
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.0071
_cell_measurement_theta_min      2.4204
_cell_volume                     6018.9(7)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'APEX3 v2015.5-2 (Bruker-AXS, 2015)'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.728
_diffrn_measurement_device_type  'Bruker D8 VENTURE FIXED-CHI PHOTON 100 CMOS'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1403
_diffrn_reflns_av_unetI/netI     0.2594
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.728
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            11298
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.728
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.357
_diffrn_reflns_theta_min         2.470
_diffrn_source                   'I\mS HB micro-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.733
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.5619
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_description       block
_exptl_crystal_F_000             2616
_exptl_crystal_size_max          0.192
_exptl_crystal_size_mid          0.187
_exptl_crystal_size_min          0.153
_refine_diff_density_max         1.932
_refine_diff_density_min         -1.717
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     363
_refine_ls_number_reflns         6025
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.1622
_refine_ls_R_factor_gt           0.0727
_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)+(0.0433P)²+90.4606P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1517
_refine_ls_wR_factor_ref         0.1829
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3968
_reflns_number_total             6025
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc08612k2.cif
_cod_data_source_block           mo_CHEM0579
_cod_depositor_comments
'Adding full bibliography for 1574586--1574591.cif.'
_cod_database_code               1574590
_shelx_shelxl_version_number     2014/7
_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   0.896
_shelx_estimated_absorpt_t_min   0.872
_olex2_refinement_description
;
1. Others
 Fixed Sof: H35A(0.5) H35B(0.5)
2.a Secondary CH2 refined with riding coordinates:
 C35(H35A,H35B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C5(H5), C8(H8), C10(H10), C11(H11), C13(H13), C14(H14),
 C15(H15), C16(H16), C17(H17), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23),
  C25(H25)
2.c Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C30(H30A,H30B,H30C), C32(H32A,H32B,
 H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_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
Pd1 Pd 0.48521(2) 0.48165(4) 0.31057(3) 0.02398(17) Uani 1 1 d . . . . .
N1 N 0.5342(3) 0.3758(4) 0.3937(4) 0.0284(13) Uani 1 1 d . . . . .
N2 N 0.5539(2) 0.5760(4) 0.3566(3) 0.0248(12) Uani 1 1 d . . . . .
N3 N 0.5667(2) 0.5775(4) 0.2941(4) 0.0257(13) Uani 1 1 d . . . . .
C1 C 0.4280(3) 0.3767(4) 0.2575(4) 0.0225(14) Uani 1 1 d . . . . .
C2 C 0.3720(3) 0.3799(5) 0.1809(5) 0.0323(17) Uani 1 1 d . . . . .
H2 H 0.3555 0.4397 0.1543 0.039 Uiso 1 1 calc R U . . .
C3 C 0.3403(3) 0.2994(5) 0.1430(5) 0.0308(17) Uani 1 1 d . . . . .
H3 H 0.3018 0.3049 0.0924 0.037 Uiso 1 1 calc R U . . .
C4 C 0.3630(3) 0.2095(5) 0.1766(4) 0.0273(15) Uani 1 1 d . . . . .
C5 C 0.4187(3) 0.2047(5) 0.2541(4) 0.0269(15) Uani 1 1 d . . . . .
H5 H 0.4350 0.1446 0.2801 0.032 Uiso 1 1 calc R U . . .
C6 C 0.4503(3) 0.2867(5) 0.2935(4) 0.0271(15) Uani 1 1 d . . . . .
C7 C 0.5095(3) 0.2873(4) 0.3736(4) 0.0229(14) Uani 1 1 d . . . . .
C8 C 0.5392(3) 0.2081(5) 0.4240(4) 0.0282(16) Uani 1 1 d . . . . .
H8 H 0.5206 0.1482 0.4084 0.034 Uiso 1 1 calc R U . . .
C9 C 0.5958(3) 0.2150(5) 0.4970(4) 0.0283(16) Uani 1 1 d . . . . .
C10 C 0.6212(3) 0.3044(5) 0.5156(5) 0.0290(16) Uani 1 1 d . . . . .
H10 H 0.6602 0.3120 0.5638 0.035 Uiso 1 1 calc R U . . .
C11 C 0.5900(3) 0.3814(5) 0.4643(4) 0.0303(16) Uani 1 1 d . . . . .
H11 H 0.6083 0.4415 0.4788 0.036 Uiso 1 1 calc R U . . .
C12 C 0.3310(3) 0.1213(5) 0.1324(5) 0.0327(17) Uani 1 1 d . . . . .
C13 C 0.2738(3) 0.1134(6) 0.0960(6) 0.048(2) Uani 1 1 d . . . . .
H13 H 0.2541 0.1654 0.0997 0.057 Uiso 1 1 calc R U . . .
C14 C 0.2447(4) 0.0295(7) 0.0537(7) 0.065(3) Uani 1 1 d . . . . .
H14 H 0.2051 0.0255 0.0279 0.078 Uiso 1 1 calc R U . . .
C15 C 0.2716(4) -0.0463(6) 0.0488(6) 0.062(3) Uani 1 1 d . . . . .
H15 H 0.2515 -0.1038 0.0215 0.074 Uiso 1 1 calc R U . . .
C16 C 0.3283(4) -0.0389(6) 0.0836(6) 0.062(3) Uani 1 1 d . . . . .
H16 H 0.3475 -0.0912 0.0796 0.074 Uiso 1 1 calc R U . . .
C17 C 0.3576(4) 0.0441(6) 0.1246(5) 0.045(2) Uani 1 1 d . . . . .
H17 H 0.3968 0.0482 0.1478 0.055 Uiso 1 1 calc R U . . .
C18 C 0.6277(3) 0.1316(5) 0.5554(5) 0.0325(17) Uani 1 1 d . . . . .
C19 C 0.6014(4) 0.0649(5) 0.5748(5) 0.043(2) Uani 1 1 d . . . . .
H19 H 0.5617 0.0700 0.5478 0.052 Uiso 1 1 calc R U . . .
C20 C 0.6322(5) -0.0104(6) 0.6338(6) 0.058(3) Uani 1 1 d . . . . .
H20 H 0.6139 -0.0560 0.6474 0.069 Uiso 1 1 calc R U . . .
C21 C 0.6895(5) -0.0169(7) 0.6717(7) 0.071(3) Uani 1 1 d . . . . .
H21 H 0.7109 -0.0676 0.7119 0.085 Uiso 1 1 calc R U . . .
C22 C 0.7160(4) 0.0478(7) 0.6527(7) 0.069(3) Uani 1 1 d . . . . .
H22 H 0.7557 0.0419 0.6794 0.082 Uiso 1 1 calc R U . . .
C23 C 0.6856(4) 0.1220(6) 0.5947(6) 0.049(2) Uani 1 1 d . . . . .
H23 H 0.7045 0.1669 0.5815 0.059 Uiso 1 1 calc R U . . .
C24 C 0.5903(3) 0.6352(5) 0.4239(4) 0.0265(15) Uani 1 1 d . . . . .
C25 C 0.6264(3) 0.6749(5) 0.4049(4) 0.0282(15) Uani 1 1 d . . . . .
H25 H 0.6562 0.7193 0.4409 0.034 Uiso 1 1 calc R U . . .
C26 C 0.6103(3) 0.6368(4) 0.3225(4) 0.0262(15) Uani 1 1 d . . . . .
C27 C 0.5904(3) 0.6556(5) 0.5070(4) 0.0312(17) Uani 1 1 d . . . . .
C28 C 0.6489(4) 0.6302(7) 0.5929(5) 0.050(2) Uani 1 1 d . . . . .
H28A H 0.6560 0.5620 0.5931 0.075 Uiso 1 1 calc R U . . .
H28B H 0.6495 0.6461 0.6457 0.075 Uiso 1 1 calc R U . . .
H28C H 0.6787 0.6663 0.5946 0.075 Uiso 1 1 calc R U . . .
C29 C 0.5448(4) 0.6002(6) 0.5062(5) 0.041(2) Uani 1 1 d . . . . .
H29A H 0.5072 0.6181 0.4531 0.062 Uiso 1 1 calc R U . . .
H29B H 0.5471 0.6149 0.5608 0.062 Uiso 1 1 calc R U . . .
H29C H 0.5508 0.5319 0.5043 0.062 Uiso 1 1 calc R U . . .
C30 C 0.5800(5) 0.7620(6) 0.5088(6) 0.057(3) Uani 1 1 d . . . . .
H30A H 0.5419 0.7786 0.4559 0.085 Uiso 1 1 calc R U . . .
H30B H 0.6087 0.7985 0.5081 0.085 Uiso 1 1 calc R U . . .
H30C H 0.5825 0.7771 0.5635 0.085 Uiso 1 1 calc R U . . .
C31 C 0.6324(3) 0.6652(5) 0.2680(5) 0.0328(17) Uani 1 1 d . . . . .
C32 C 0.6284(4) 0.5842(5) 0.2083(5) 0.0388(18) Uani 1 1 d . . . . .
H32A H 0.5888 0.5630 0.1682 0.058 Uiso 1 1 calc R U . . .
H32B H 0.6524 0.5311 0.2463 0.058 Uiso 1 1 calc R U . . .
H32C H 0.6416 0.6069 0.1724 0.058 Uiso 1 1 calc R U . . .
C33 C 0.6939(4) 0.6967(8) 0.3282(7) 0.072(3) Uani 1 1 d . . . . .
H33A H 0.7062 0.7194 0.2911 0.108 Uiso 1 1 calc R U . . .
H33B H 0.7177 0.6429 0.3649 0.108 Uiso 1 1 calc R U . . .
H33C H 0.6976 0.7481 0.3675 0.108 Uiso 1 1 calc R U . . .
C34 C 0.5954(5) 0.7475(7) 0.2058(7) 0.070(3) Uani 1 1 d . . . . .
H34A H 0.6082 0.7660 0.1684 0.105 Uiso 1 1 calc R U . . .
H34B H 0.5988 0.8019 0.2422 0.105 Uiso 1 1 calc R U . . .
H34C H 0.5555 0.7271 0.1671 0.105 Uiso 1 1 calc R U . . .
Cl1 Cl 0.49814(13) 0.94631(19) 0.16869(19) 0.0720(8) Uani 1 1 d . . . . .
C35 C 0.5000 0.8746(10) 0.2500 0.078(5) Uani 1 2 d S T P . .
H35A H 0.5341 0.8333 0.2799 0.093 Uiso 0.5 1 calc R U P . .
H35B H 0.4659 0.8333 0.2201 0.093 Uiso 0.5 1 calc R U P . .
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'
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 Pd1 101.27(17) . 2_655 ?
N1 Pd1 N2 94.6(2) . . ?
N1 Pd1 N3 169.8(2) . 2_655 ?
N2 Pd1 Pd1 70.67(15) . 2_655 ?
N3 Pd1 Pd1 70.31(16) 2_655 2_655 ?
N3 Pd1 N2 88.2(2) 2_655 . ?
C1 Pd1 Pd1 99.25(18) . 2_655 ?
C1 Pd1 N1 80.7(2) . . ?
C1 Pd1 N2 168.0(2) . . ?
C1 Pd1 N3 94.7(2) . 2_655 ?
C7 N1 Pd1 116.3(4) . . ?
C11 N1 Pd1 126.9(5) . . ?
C11 N1 C7 116.7(6) . . ?
N3 N2 Pd1 108.5(4) . . ?
C24 N2 Pd1 143.8(5) . . ?
C24 N2 N3 107.7(5) . . ?
N2 N3 Pd1 110.5(4) . 2_655 ?
C26 N3 Pd1 140.2(5) . 2_655 ?
C26 N3 N2 109.2(5) . . ?
C2 C1 Pd1 127.8(5) . . ?
C2 C1 C6 116.7(6) . . ?
C6 C1 Pd1 114.6(5) . . ?
C1 C2 H2 119.1 . . ?
C3 C2 C1 121.8(7) . . ?
C3 C2 H2 119.1 . . ?
C2 C3 H3 119.1 . . ?
C2 C3 C4 121.7(7) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 C5 117.4(6) . . ?
C3 C4 C12 122.6(6) . . ?
C5 C4 C12 120.0(6) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 C4 120.7(6) . . ?
C6 C5 H5 119.7 . . ?
C1 C6 C7 114.5(6) . . ?
C5 C6 C1 121.7(6) . . ?
C5 C6 C7 123.8(6) . . ?
N1 C7 C6 113.2(6) . . ?
N1 C7 C8 121.9(6) . . ?
C8 C7 C6 124.9(6) . . ?
C7 C8 H8 119.6 . . ?
C7 C8 C9 120.9(6) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 C10 117.1(6) . . ?
C8 C9 C18 121.7(6) . . ?
C10 C9 C18 121.2(6) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 C9 120.1(6) . . ?
C11 C10 H10 119.9 . . ?
N1 C11 C10 123.2(6) . . ?
N1 C11 H11 118.4 . . ?
C10 C11 H11 118.4 . . ?
C13 C12 C4 121.7(7) . . ?
C13 C12 C17 117.8(7) . . ?
C17 C12 C4 120.6(7) . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.2(9) . . ?
C14 C13 H13 119.9 . . ?
C13 C14 H14 119.3 . . ?
C15 C14 C13 121.4(9) . . ?
C15 C14 H14 119.3 . . ?
C14 C15 H15 120.5 . . ?
C14 C15 C16 118.9(8) . . ?
C16 C15 H15 120.5 . . ?
C15 C16 H16 119.7 . . ?
C15 C16 C17 120.5(9) . . ?
C17 C16 H16 119.7 . . ?
C12 C17 H17 119.4 . . ?
C16 C17 C12 121.2(8) . . ?
C16 C17 H17 119.4 . . ?
C19 C18 C9 121.2(7) . . ?
C19 C18 C23 118.5(7) . . ?
C23 C18 C9 120.2(7) . . ?
C18 C19 H19 119.4 . . ?
C18 C19 C20 121.1(9) . . ?
C20 C19 H19 119.4 . . ?
C19 C20 H20 120.7 . . ?
C21 C20 C19 118.6(10) . . ?
C21 C20 H20 120.7 . . ?
C20 C21 H21 119.4 . . ?
C22 C21 C20 121.1(9) . . ?
C22 C21 H21 119.4 . . ?
C21 C22 H22 119.9 . . ?
C21 C22 C23 120.2(10) . . ?
C23 C22 H22 119.9 . . ?
C18 C23 H23 119.8 . . ?
C22 C23 C18 120.5(9) . . ?
C22 C23 H23 119.8 . . ?
N2 C24 C25 108.8(6) . . ?
N2 C24 C27 124.8(6) . . ?
C25 C24 C27 126.5(6) . . ?
C24 C25 H25 126.8 . . ?
C24 C25 C26 106.5(6) . . ?
C26 C25 H25 126.8 . . ?
N3 C26 C25 107.9(7) . . ?
N3 C26 C31 124.7(6) . . ?
C25 C26 C31 127.0(6) . . ?
C28 C27 C24 109.6(6) . . ?
C29 C27 C24 112.7(6) . . ?
C29 C27 C28 108.7(6) . . ?
C29 C27 C30 108.8(7) . . ?
C30 C27 C24 108.4(6) . . ?
C30 C27 C28 108.6(7) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C27 C30 H30A 109.5 . . ?
C27 C30 H30B 109.5 . . ?
C27 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C26 C31 C32 112.5(6) . . ?
C26 C31 C33 111.2(7) . . ?
C26 C31 C34 108.0(6) . . ?
C32 C31 C34 107.6(7) . . ?
C33 C31 C32 107.9(7) . . ?
C33 C31 C34 109.6(8) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Cl1 C35 Cl1 110.4(8) . 2_655 ?
Cl1 C35 H35A 109.6 2_655 . ?
Cl1 C35 H35A 109.6 . . ?
Cl1 C35 H35B 109.6 . . ?
Cl1 C35 H35B 109.6 2_655 . ?
H35A C35 H35B 108.1 . . ?
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 Pd1 2.7884(11) 2_655 ?
Pd1 N1 2.007(6) . ?
Pd1 N2 2.112(5) . ?
Pd1 N3 2.096(5) 2_655 ?
Pd1 C1 1.996(6) . ?
N1 C7 1.373(8) . ?
N1 C11 1.361(9) . ?
N2 N3 1.384(8) . ?
N2 C24 1.345(8) . ?
N3 Pd1 2.096(5) 2_655 ?
N3 C26 1.337(9) . ?
C1 C2 1.394(9) . ?
C1 C6 1.398(9) . ?
C2 H2 0.9500 . ?
C2 C3 1.365(10) . ?
C3 H3 0.9500 . ?
C3 C4 1.392(9) . ?
C4 C5 1.396(9) . ?
C4 C12 1.475(10) . ?
C5 H5 0.9500 . ?
C5 C6 1.386(9) . ?
C6 C7 1.468(9) . ?
C7 C8 1.380(9) . ?
C8 H8 0.9500 . ?
C8 C9 1.389(10) . ?
C9 C10 1.395(10) . ?
C9 C18 1.490(9) . ?
C10 H10 0.9500 . ?
C10 C11 1.371(9) . ?
C11 H11 0.9500 . ?
C12 C13 1.379(11) . ?
C12 C17 1.384(11) . ?
C13 H13 0.9500 . ?
C13 C14 1.393(12) . ?
C14 H14 0.9500 . ?
C14 C15 1.352(14) . ?
C15 H15 0.9500 . ?
C15 C16 1.370(14) . ?
C16 H16 0.9500 . ?
C16 C17 1.379(11) . ?
C17 H17 0.9500 . ?
C18 C19 1.373(11) . ?
C18 C23 1.390(11) . ?
C19 H19 0.9500 . ?
C19 C20 1.400(11) . ?
C20 H20 0.9500 . ?
C20 C21 1.373(15) . ?
C21 H21 0.9500 . ?
C21 C22 1.356(16) . ?
C22 H22 0.9500 . ?
C22 C23 1.380(12) . ?
C23 H23 0.9500 . ?
C24 C25 1.389(10) . ?
C24 C27 1.539(10) . ?
C25 H25 0.9500 . ?
C25 C26 1.399(9) . ?
C26 C31 1.510(10) . ?
C27 C28 1.537(10) . ?
C27 C29 1.520(11) . ?
C27 C30 1.532(10) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
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 C32 1.532(10) . ?
C31 C33 1.511(11) . ?
C31 C34 1.536(11) . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
Cl1 C35 1.767(8) . ?
C35 Cl1 1.767(8) 2_655 ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
