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_7718205
_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         'C65 H46 Cd N6 O5'
_chemical_formula_sum            'C65 H46 Cd N6 O5'
_chemical_formula_weight         1103.48
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2024-10-03 deposited with the CCDC.	2025-01-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 113.276(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   41.680(7)
_cell_length_b                   12.2062(18)
_cell_length_c                   21.552(3)
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_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      20.658
_cell_measurement_theta_min      1.751
_cell_volume                     10072(3)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics
'PLATON (Spek, 2009) and ORTEP (Farrugia, 1997)'
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_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  0.0608
_diffrn_reflns_av_unetI/netI     0.0409
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -41
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_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
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_diffrn_reflns_point_group_measured_fraction_full 0.978
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_diffrn_reflns_theta_max         20.658
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_exptl_absorpt_coefficient_mu    0.495
_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            Colorless
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_exptl_crystal_description       Needle
_exptl_crystal_F_000             4528
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
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_exptl_transmission_factor_min   0.931
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5056
_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.1123
_refine_ls_R_factor_gt           0.0998
_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^)+(0.1096P)^2^+412.0388P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2461
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_reflns_number_gt                4114
_reflns_number_total             5056
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_sg_symbol_H-M      'C 2/c'
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_shelx_res_checksum              72952