A novel binuclear Pd(ii) complex displaying synergic peptide cleavage behaviour.
Jiao, Yang; Hong, Jin; Chen, Yuncong; Zhang, Yuming; Guo, Zijian; Han, Zhong; He, Weijiang; Dalton transactions (Cambridge, England : 2003) 49 (2020) 3164–3173; doi:10.1039/d0dt00130a

data_7703464
_publ_section_title
;
 A novel binuclear Pd(ii) complex displaying synergic peptide cleavage
 behaviour.
;
_journal_issue                   10
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3164
_journal_page_last               3173
_journal_paper_doi               10.1039/d0dt00130a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C13 H23 Cl3 N4 O9 Pd2'
_chemical_formula_weight         698.50
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2020-01-13 deposited with the CCDC.	2020-02-04 downloaded from the CCDC.
;
_cell_angle_alpha                70.4900(10)
_cell_angle_beta                 73.6940(10)
_cell_angle_gamma                71.3320(10)
_cell_formula_units_Z            2
_cell_length_a                   8.5139(10)
_cell_length_b                   10.7443(12)
_cell_length_c                   14.4956(16)
_cell_measurement_temperature    273(2)
_cell_volume                     1161.4(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_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  0.0443
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5854
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    1.944
_exptl_absorpt_correction_T_max  0.7335
_exptl_absorpt_correction_T_min  0.6744
_exptl_crystal_density_diffrn    1.997
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.17
_platon_squeeze_details
;
;
_refine_diff_density_max         0.892
_refine_diff_density_min         -0.976
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     324
_refine_ls_number_reflns         4041
_refine_ls_number_restraints     114
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0406
_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/[\s^2^(Fo^2^)+(0.0687P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1060
_refine_ls_wR_factor_ref         0.1106
_reflns_number_gt                3270
_reflns_number_total             4041
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0dt00130a3.cif
_cod_data_source_block           291215_0m-sr
_cod_depositor_comments          'Adding full bibliography for 7703464.cif.'
_cod_database_code               7703464