The influence of the substituent type and position on the topology of 2-D heterometallic sodium–palladium(ii) coordination networks with substituted nicotinate ligands
Kodrin, Ivan; Rodríguez, Maricel Gabriela; Politeo, Nives; Soldin, Željka; Kerš, Igor; Rončević, Tomislav; Čikeš Čulić, Vedrana; Sokol, Vesna; Doctorovich, Fabio; Kukovec, Boris-Marko; RSC Advances 16 (2026) 9520–9529; doi:10.1039/D5RA08782A

data_7251640
_publ_section_title
;
 The influence of the substituent type and position on the topology of 2-D
 heterometallic sodium--palladium(ii) coordination networks with
 substituted nicotinate ligands
;
_journal_issue                   11
_journal_name_full               'RSC Advances'
_journal_page_first              9520
_journal_page_last               9529
_journal_paper_doi               10.1039/D5RA08782A
_journal_volume                  16
_journal_year                    2026
_chemical_formula_sum            'C14 H28 Cl2 N2 Na2 O12 Pd'
_chemical_formula_weight         639.66
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-11-13 deposited with the CCDC.	2026-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.7210(10)
_cell_angle_beta                 98.723(2)
_cell_angle_gamma                108.090(2)
_cell_formula_units_Z            1
_cell_length_a                   5.45550(10)
_cell_length_b                   8.27590(10)
_cell_length_c                   14.6095(2)
_cell_measurement_reflns_used    13581
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      79.1810
_cell_measurement_theta_min      3.0520
_cell_volume                     618.499(18)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_unetI/netI     0.0183
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.986
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            16492
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.986
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         79.635
_diffrn_reflns_theta_min         5.635
_exptl_absorpt_coefficient_mu    8.930
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47272
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.105a (Rigaku Oxford Diffraction, 2024)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_diffrn    1.717
_exptl_crystal_description       prism
_exptl_crystal_F_000             324
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.366
_refine_diff_density_min         -1.081
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     176
_refine_ls_number_reflns         2646
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0323
_refine_ls_R_factor_gt           0.0321
_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/[\s^2^(Fo^2^)+(0.0489P)^2^+1.2465P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0869
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2641
_reflns_number_total             2646
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ra08782a2.cif
_cod_data_source_block           1
_cod_database_code               7251640
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              23723