#------------------------------------------------------------------------------
#$Date: 2020-04-16 03:09:53 +0300 (Thu, 16 Apr 2020) $
#$Revision: 250796 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/47/4134722.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_4134722
loop_
_publ_author_name
'Su, Bo'
'Bunescu, Ala'
'Qiu, Yehao'
'Zuend, Stephan J.'
'Ernst, Martin'
'Hartwig, John F.'
_publ_section_title
;
 Palladium-catalyzed oxidation of β-C(sp3)-H bond of primary alkylamines
 through a rare four-membered palladacycle intermediate.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.0c01629
_journal_year                    2020
_chemical_formula_moiety         'C26 H34 N2 O6 Pd2'
_chemical_formula_sum            'C26 H34 N2 O6 Pd2'
_chemical_formula_weight         683.35
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 113.354(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9433(3)
_cell_length_b                   34.4853(9)
_cell_length_c                   9.5969(3)
_cell_measurement_reflns_used    20220
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.6200
_cell_measurement_theta_min      3.0290
_cell_volume                     2717.32(17)
_computing_cell_refinement       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46e (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'ROD, Synergy Custom DW system, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0435
_diffrn_reflns_av_unetI/netI     0.0338
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       43
_diffrn_reflns_limit_k_min       -43
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            28988
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        26.371
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         2.889
_diffrn_source                   'Rotating-anode X-ray tube'
_exptl_absorpt_coefficient_mu    1.365
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.85298
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Olex2 1.2-ac3
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_description       block
_exptl_crystal_F_000             1376
_exptl_crystal_size_max          0.190
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.459
_refine_diff_density_min         -0.450
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         5538
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0237
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0179P)²+1.8149P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0505
_refine_ls_wR_factor_ref         0.0520
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4914
_reflns_number_total             5538
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja0c01629_si_002.cif
_cod_data_source_block           Su001_Hartwig
_cod_original_cell_volume        2717.31(16)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4134722
_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_min   0.781
_shelx_estimated_absorpt_t_max   0.899
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
C1 C 0.6600(3) 0.67858(8) 1.0945(3) 0.0205(6) Uani 1 1 d . . . . .
H1 H 0.6855 0.6623 1.1808 0.025 Uiso 1 1 calc R U . . .
C2 C 0.7284(3) 0.71461(8) 1.1130(3) 0.0231(6) Uani 1 1 d . . . . .
H2 H 0.8027 0.7229 1.2102 0.028 Uiso 1 1 calc R U . . .
C3 C 0.6877(3) 0.73916(7) 0.9871(3) 0.0210(5) Uani 1 1 d . . . . .
H3 H 0.7347 0.7643 0.9987 0.025 Uiso 1 1 calc R U . . .
C4 C 0.5794(3) 0.72693(7) 0.8464(3) 0.0186(5) Uani 1 1 d . . . . .
H4 H 0.5508 0.7441 0.7625 0.022 Uiso 1 1 calc R U . . .
C5 C 0.5102(3) 0.68954(7) 0.8243(2) 0.0145(5) Uani 1 1 d . . . . .
C6 C 0.5529(3) 0.66472(7) 0.9517(2) 0.0150(5) Uani 1 1 d . . . . .
C7 C 0.4810(3) 0.62725(7) 0.9468(3) 0.0150(5) Uani 1 1 d . . . . .
H7 H 0.5013 0.6158 1.0427 0.018 Uiso 1 1 calc R U . . .
C8 C 0.3126(3) 0.57029(7) 0.8541(3) 0.0173(5) Uani 1 1 d . . . . .
C9 C 0.3063(4) 0.56890(8) 1.0122(3) 0.0267(6) Uani 1 1 d . . . . .
H9A H 0.4172 0.5669 1.0902 0.040 Uiso 1 1 calc R U . . .
H9B H 0.2426 0.5463 1.0184 0.040 Uiso 1 1 calc R U . . .
H9C H 0.2550 0.5926 1.0286 0.040 Uiso 1 1 calc R U . . .
C10 C 0.1372(3) 0.57005(7) 0.7365(3) 0.0202(5) Uani 1 1 d . . . . .
H10A H 0.0810 0.5934 0.7484 0.030 Uiso 1 1 calc R U . . .
H10B H 0.0809 0.5470 0.7513 0.030 Uiso 1 1 calc R U . . .
H10C H 0.1370 0.5696 0.6343 0.030 Uiso 1 1 calc R U . . .
C11 C 0.4088(3) 0.53529(7) 0.8374(3) 0.0212(6) Uani 1 1 d . . . . .
H11A H 0.4129 0.5357 0.7369 0.032 Uiso 1 1 calc R U . . .
H11B H 0.3554 0.5114 0.8488 0.032 Uiso 1 1 calc R U . . .
H11C H 0.5198 0.5363 0.9158 0.032 Uiso 1 1 calc R U . . .
C12 C 0.4044(3) 0.65761(6) 0.3511(2) 0.0134(5) Uani 1 1 d . . . . .
C13 C 0.3340(3) 0.68151(7) 0.2089(3) 0.0198(5) Uani 1 1 d . . . . .
H13A H 0.2951 0.6643 0.1203 0.030 Uiso 1 1 calc R U . . .
H13B H 0.4180 0.6988 0.2028 0.030 Uiso 1 1 calc R U . . .
H13C H 0.2428 0.6970 0.2108 0.030 Uiso 1 1 calc R U . . .
C14 C 0.3916(3) 0.55779(7) 0.4505(2) 0.0143(5) Uani 1 1 d . . . . .
C15 C 0.3214(3) 0.52119(7) 0.3639(3) 0.0196(5) Uani 1 1 d . . . . .
H15A H 0.2170 0.5270 0.2804 0.029 Uiso 1 1 calc R U . . .
H15B H 0.3044 0.5022 0.4321 0.029 Uiso 1 1 calc R U . . .
H15C H 0.3970 0.5105 0.3228 0.029 Uiso 1 1 calc R U . . .
C16 C 0.9377(3) 0.66503(7) 0.5121(3) 0.0187(5) Uani 1 1 d . . . . .
H16A H 1.0206 0.6449 0.5549 0.028 Uiso 1 1 calc R U . . .
H16B H 0.9786 0.6849 0.4631 0.028 Uiso 1 1 calc R U . . .
H16C H 0.8384 0.6535 0.4370 0.028 Uiso 1 1 calc R U . . .
C17 C 0.7743(3) 0.71585(7) 0.5794(3) 0.0247(6) Uani 1 1 d . . . . .
H17A H 0.6741 0.7054 0.5014 0.037 Uiso 1 1 calc R U . . .
H17B H 0.8176 0.7364 0.5353 0.037 Uiso 1 1 calc R U . . .
H17C H 0.7505 0.7265 0.6630 0.037 Uiso 1 1 calc R U . . .
C18 C 1.0585(3) 0.70085(8) 0.7550(3) 0.0266(6) Uani 1 1 d . . . . .
H18A H 1.0356 0.7149 0.8331 0.040 Uiso 1 1 calc R U . . .
H18B H 1.1049 0.7187 0.7034 0.040 Uiso 1 1 calc R U . . .
H18C H 1.1363 0.6799 0.8026 0.040 Uiso 1 1 calc R U . . .
C19 C 0.8997(3) 0.68354(7) 0.6390(2) 0.0165(5) Uani 1 1 d . . . . .
C20 C 0.8925(3) 0.64779(6) 0.8526(2) 0.0132(5) Uani 1 1 d . . . . .
H20 H 0.9523 0.6694 0.9090 0.016 Uiso 1 1 calc R U . . .
C21 C 0.8790(3) 0.61518(7) 0.9407(2) 0.0132(5) Uani 1 1 d . . . . .
C22 C 0.9483(3) 0.61916(7) 1.1007(3) 0.0177(5) Uani 1 1 d . . . . .
H22 H 0.9883 0.6438 1.1440 0.021 Uiso 1 1 calc R U . . .
C23 C 0.9591(3) 0.58850(8) 1.1943(3) 0.0214(6) Uani 1 1 d . . . . .
H23 H 1.0029 0.5918 1.3013 0.026 Uiso 1 1 calc R U . . .
C24 C 0.9044(3) 0.55223(8) 1.1298(3) 0.0222(6) Uani 1 1 d . . . . .
H24 H 0.9119 0.5307 1.1941 0.027 Uiso 1 1 calc R U . . .
C25 C 0.8402(3) 0.54695(7) 0.9755(3) 0.0185(5) Uani 1 1 d . . . . .
H25 H 0.8078 0.5217 0.9350 0.022 Uiso 1 1 calc R U . . .
C26 C 0.8213(3) 0.57855(7) 0.8756(2) 0.0137(5) Uani 1 1 d . . . . .
N1 N 0.3930(2) 0.60696(5) 0.8306(2) 0.0139(4) Uani 1 1 d . . . . .
N2 N 0.8339(2) 0.65145(5) 0.7069(2) 0.0128(4) Uani 1 1 d . . . . .
O1 O 0.4071(2) 0.67994(4) 0.68741(16) 0.0159(4) Uani 1 1 d . . . . .
O2 O 0.30749(19) 0.64810(5) 0.41053(16) 0.0143(3) Uani 1 1 d . . . . .
O3 O 0.55423(19) 0.64935(5) 0.39752(17) 0.0161(4) Uani 1 1 d . . . . .
O4 O 0.52033(19) 0.57042(5) 0.44410(17) 0.0155(4) Uani 1 1 d . . . . .
O5 O 0.31349(19) 0.57236(4) 0.52208(17) 0.0152(3) Uani 1 1 d . . . . .
O6 O 0.7555(2) 0.57175(4) 0.72934(16) 0.0154(4) Uani 1 1 d . . . . .
Pd1 Pd 0.36356(2) 0.62553(2) 0.62135(2) 0.01085(5) Uani 1 1 d . . . . .
Pd2 Pd 0.66758(2) 0.61277(2) 0.57647(2) 0.01136(5) 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'
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
C2 C1 C6 122.2(2) . . ?
C2 C1 H1 118.9 . . ?
C6 C1 H1 118.9 . . ?
C1 C2 C3 119.3(2) . . ?
C1 C2 H2 120.4 . . ?
C3 C2 H2 120.4 . . ?
C4 C3 C2 120.1(2) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 121.6(2) . . ?
C3 C4 H4 119.2 . . ?
C5 C4 H4 119.2 . . ?
O1 C5 C4 118.3(2) . . ?
O1 C5 C6 123.6(2) . . ?
C4 C5 C6 118.1(2) . . ?
C1 C6 C5 118.8(2) . . ?
C1 C6 C7 117.4(2) . . ?
C5 C6 C7 123.5(2) . . ?
N1 C7 C6 129.0(2) . . ?
N1 C7 H7 115.5 . . ?
C6 C7 H7 115.5 . . ?
N1 C8 C10 107.66(18) . . ?
N1 C8 C11 108.89(19) . . ?
C10 C8 C11 112.0(2) . . ?
N1 C8 C9 112.20(19) . . ?
C10 C8 C9 107.4(2) . . ?
C11 C8 C9 108.70(19) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O2 C12 O3 127.3(2) . . ?
O2 C12 C13 116.1(2) . . ?
O3 C12 C13 116.6(2) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O4 C14 O5 127.2(2) . . ?
O4 C14 C15 117.0(2) . . ?
O5 C14 C15 115.8(2) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C19 C16 H16A 109.5 . . ?
C19 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C19 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C19 C17 H17A 109.5 . . ?
C19 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C19 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C19 C18 H18A 109.5 . . ?
C19 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C19 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N2 C19 C17 110.00(19) . . ?
N2 C19 C16 106.51(18) . . ?
C17 C19 C16 111.69(19) . . ?
N2 C19 C18 112.17(18) . . ?
C17 C19 C18 108.7(2) . . ?
C16 C19 C18 107.8(2) . . ?
N2 C20 C21 128.3(2) . . ?
N2 C20 H20 115.8 . . ?
C21 C20 H20 115.8 . . ?
C26 C21 C22 119.5(2) . . ?
C26 C21 C20 122.6(2) . . ?
C22 C21 C20 117.3(2) . . ?
C23 C22 C21 121.6(2) . . ?
C23 C22 H22 119.2 . . ?
C21 C22 H22 119.2 . . ?
C22 C23 C24 118.8(2) . . ?
C22 C23 H23 120.6 . . ?
C24 C23 H23 120.6 . . ?
C25 C24 C23 121.4(2) . . ?
C25 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C24 C25 C26 121.0(2) . . ?
C24 C25 H25 119.5 . . ?
C26 C25 H25 119.5 . . ?
O6 C26 C21 124.3(2) . . ?
O6 C26 C25 118.0(2) . . ?
C21 C26 C25 117.6(2) . . ?
C7 N1 C8 119.17(19) . . ?
C7 N1 Pd1 118.84(16) . . ?
C8 N1 Pd1 121.98(14) . . ?
C20 N2 C19 118.45(19) . . ?
C20 N2 Pd2 119.33(15) . . ?
C19 N2 Pd2 122.13(13) . . ?
C5 O1 Pd1 122.20(14) . . ?
C12 O2 Pd1 127.53(14) . . ?
C12 O3 Pd2 122.51(15) . . ?
C14 O4 Pd2 126.62(14) . . ?
C14 O5 Pd1 123.21(15) . . ?
C26 O6 Pd2 123.24(14) . . ?
O1 Pd1 N1 92.91(7) . . ?
O1 Pd1 O5 171.49(6) . . ?
N1 Pd1 O5 95.59(7) . . ?
O1 Pd1 O2 83.97(6) . . ?
N1 Pd1 O2 172.36(7) . . ?
O5 Pd1 O2 87.56(6) . . ?
O1 Pd1 Pd2 96.48(5) . . ?
N1 Pd1 Pd2 109.46(6) . . ?
O5 Pd1 Pd2 80.89(5) . . ?
O2 Pd1 Pd2 77.88(5) . . ?
O6 Pd2 N2 91.98(7) . . ?
O6 Pd2 O4 85.29(6) . . ?
N2 Pd2 O4 173.83(7) . . ?
O6 Pd2 O3 171.61(6) . . ?
N2 Pd2 O3 96.37(7) . . ?
O4 Pd2 O3 86.33(6) . . ?
O6 Pd2 Pd1 96.75(5) . . ?
N2 Pd2 Pd1 107.81(5) . . ?
O4 Pd2 Pd1 78.03(5) . . ?
O3 Pd2 Pd1 81.49(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
C1 C2 1.365(4) . ?
C1 C6 1.408(3) . ?
C1 H1 0.9500 . ?
C2 C3 1.400(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.379(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.409(3) . ?
C4 H4 0.9500 . ?
C5 O1 1.313(3) . ?
C5 C6 1.416(3) . ?
C6 C7 1.436(3) . ?
C7 N1 1.288(3) . ?
C7 H7 0.9500 . ?
C8 N1 1.515(3) . ?
C8 C10 1.527(3) . ?
C8 C11 1.527(3) . ?
C8 C9 1.541(3) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 O2 1.255(3) . ?
C12 O3 1.266(3) . ?
C12 C13 1.502(3) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 O4 1.255(3) . ?
C14 O5 1.262(3) . ?
C14 C15 1.505(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C19 1.528(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C19 1.522(3) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.536(3) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 N2 1.516(3) . ?
C20 N2 1.291(3) . ?
C20 C21 1.441(3) . ?
C20 H20 0.9500 . ?
C21 C26 1.413(3) . ?
C21 C22 1.416(3) . ?
C22 C23 1.366(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.395(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.372(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.417(3) . ?
C25 H25 0.9500 . ?
C26 O6 1.310(3) . ?
N1 Pd1 2.0228(18) . ?
N2 Pd2 2.0202(18) . ?
O1 Pd1 1.9695(15) . ?
O2 Pd1 2.0363(14) . ?
O3 Pd2 2.0464(15) . ?
O4 Pd2 2.0384(15) . ?
O5 Pd1 2.0327(15) . ?
O6 Pd2 1.9640(15) . ?
Pd1 Pd2 2.9495(3) . ?
