Unprecedented 3D-coordination polymeric frameworks of 5-aminoisophthalate with alkaline earth metals (Sr and Ba): catalytic and luminescent properties
Singh, Atom Rajiv; Rajpurohit, Anil Singh; Sharma, Aribam Rishikanta; Jaccob, Madhavan; Laishram, Raju; Lonibala, Rajkumari; CrystEngComm 28 (2026) 1431–1443; doi:10.1039/D5CE01093D

data_7251572
_publ_section_title
;
 Unprecedented 3D-coordination polymeric frameworks of 5-aminoisophthalate
 with alkaline earth metals (Sr and Ba): catalytic and luminescent
 properties
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              1431
_journal_page_last               1443
_journal_paper_doi               10.1039/D5CE01093D
_journal_volume                  28
_journal_year                    2026
_chemical_formula_moiety         'C16 H10 N2 O8 Sr2'
_chemical_formula_sum            'C16 H10 N2 O8 Sr2'
_chemical_formula_weight         533.50
_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
;
2019-02-23 deposited with the CCDC.	2026-01-20 downloaded from the CCDC.
;
_cell_angle_alpha                72.879(3)
_cell_angle_beta                 82.237(2)
_cell_angle_gamma                73.215(2)
_cell_formula_units_Z            2
_cell_length_a                   7.4671(2)
_cell_length_b                   9.5062(3)
_cell_length_c                   12.2972(4)
_cell_measurement_reflns_used    5278
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.41
_cell_measurement_theta_min      2.32
_cell_volume                     797.48(4)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3(Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker axs kappa apex3 CMOS Diffractometer'
_diffrn_measurement_method       '\w and \f scan'
_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  0.0358
_diffrn_reflns_av_unetI/netI     0.0405
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14336
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.998
_diffrn_reflns_theta_min         2.324
_exptl_absorpt_coefficient_mu    6.744
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.222
_exptl_crystal_description       block
_exptl_crystal_F_000             520
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.207
_refine_diff_density_min         -0.552
_refine_diff_density_rms         0.202
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         3839
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0609
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0945P)^2^+0.1257P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1267
_refine_ls_wR_factor_ref         0.1377
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3051
_reflns_number_total             3839
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5ce01093d2.cif
_cod_data_source_block           SR5AIP
_cod_depositor_comments
'Adding full bibliography for 7251572--7251573.cif.'
_cod_database_code               7251572
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.431
_shelx_estimated_absorpt_t_max   0.552
_shelx_res_checksum              70269