New palladium(II) β-ketoesterates for focused electron beam induced deposition: synthesis, structures, and characterization.
Butrymowicz-Kubiak, A; Muzioł, T M; Kaczmarek-Kędziera, A; Jureddy, C. S.; Maćkosz, K; Utke, I.; Szymańska, I B; Dalton transactions (Cambridge, England : 2003) 53 (2024) 13662–13677; doi:10.1039/d4dt01287a

data_7716790
_publ_section_title
;
 New palladium(II) &#x3b2;-ketoesterates for focused electron beam induced
 deposition: synthesis, structures, and characterization.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13662
_journal_page_last               13677
_journal_paper_doi               10.1039/d4dt01287a
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         '(Pd 2+), (C8 H13 O3 1-)2'
_chemical_formula_sum            'C16 H26 O6 Pd'
_chemical_formula_weight         420.77
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_symmetry_space_group_name_H-M   'P -1'
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_audit_update_record
;
2024-02-26 deposited with the CCDC.	2024-07-12 downloaded from the CCDC.
;
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_cell_volume                     1875.53(4)
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_diffrn_measured_fraction_theta_max 0.997
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_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_unetI/netI     0.0129
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_diffrn_reflns_limit_h_min       -12
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_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.55a (Rigaku Oxford Diffraction, 2022)
Numerical absorption correction based on gaussian integration over
a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            plate
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_description       yellow
_exptl_crystal_F_000             864
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.030
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_refine_diff_density_min         -0.545
_refine_diff_density_rms         0.061
_refine_ls_extinction_coef       0.00052(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     432
_refine_ls_number_reflns         7650
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0189
_refine_ls_R_factor_gt           0.0184
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0289P)^2^+1.0889P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0500
_refine_ls_wR_factor_ref         0.0503
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7453
_reflns_number_total             7650
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01287a3.cif
_cod_data_source_block           nab12_autoshape
_cod_depositor_comments
'Adding full bibliography for 7716790--7716792.cif.'
_cod_database_code               7716790
_shelx_shelxl_version_number     2018/1
_shelx_estimated_absorpt_t_min   0.393
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_shelx_res_checksum              82014