Structure-directing effect of terephthalate in bridging Zn(II)- and Cd(II)-based coordination polymers towards application in the detection of trace quantities of Pd<sup>2+</sup> in aqueous media and their electrical conductivities.
Saha, Koushik; Dutta, Basudeb; Das, Pubali; Chandra, Angeera; Samanta, Arnab; Jana, Sudeep Ranjan; Naskar, Sudip; Saha, Rajat; Ray, Partha Pratim; Sinha, Chittaranjan; Dalton transactions (Cambridge, England : 2003) 54 (2025) 3346–3361; doi:10.1039/d4dt03075c

data_7718206
_publ_section_title
;
 Structure-directing effect of terephthalate in bridging Zn(II)- and
 Cd(II)-based coordination polymers towards application in the detection
 of trace quantities of Pd<sup>2+</sup> in aqueous media and their
 electrical conductivities.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3346
_journal_page_last               3361
_journal_paper_doi               10.1039/d4dt03075c
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C27 H18 N2 O4 Zn'
_chemical_formula_sum            'C27 H18 N2 O4 Zn'
_chemical_formula_weight         499.80
_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   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-12-01 deposited with the CCDC.	2025-01-02 downloaded from the CCDC.
;
_cell_angle_alpha                110.319(4)
_cell_angle_beta                 100.038(4)
_cell_angle_gamma                98.351(4)
_cell_formula_units_Z            2
_cell_length_a                   10.8901(16)
_cell_length_b                   10.9435(16)
_cell_length_c                   11.3604(17)
_cell_measurement_reflns_used    45575
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.163
_cell_measurement_theta_min      2.975
_cell_volume                     1218.8(3)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_av_unetI/netI     0.0248
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            45575
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.163
_diffrn_reflns_theta_min         2.975
_exptl_absorpt_coefficient_mu    1.042
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_description       Block
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.150
_exptl_transmission_factor_max   0.855
_exptl_transmission_factor_min   0.789
_refine_diff_density_max         1.689
_refine_diff_density_min         -0.485
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         5337
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0524
_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^)+(0.1153P)^2^+1.0047P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1666
_refine_ls_wR_factor_ref         0.1715
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4876
_reflns_number_total             5337
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt03075c2.cif
_cod_data_source_block           shelx_CCDC1
_cod_database_code               7718206
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.781
_shelx_estimated_absorpt_t_max   0.859
_shelx_res_checksum              7157