A one-pot solid-state synthesis of MgO nanoparticles and their catalytic, biological, and electrochemical sensor activities: hexaaquamagnesium(ii) bis(6-oxo-1,6-dihydropyridine-3-carboxylate) as a tool
Balakrishnan, Prabha Devi; Arunadevi, Natarajan; Rath, Nigam P.; Kanchana, Ponnusamy; Premkumar, Thathan; New Journal of Chemistry 47 (2023) 3880–3891; doi:10.1039/D2NJ05382A

data_7062228
_publ_section_title
;
 A one-pot solid-state synthesis of MgO nanoparticles and their catalytic,
 biological, and electrochemical sensor activities: hexaaquamagnesium(ii)
 bis(6-oxo-1,6-dihydropyridine-3-carboxylate) as a tool
;
_journal_issue                   8
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              3880
_journal_page_last               3891
_journal_paper_doi               10.1039/D2NJ05382A
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         '2(C6 H4 N O3), H12 Mg O6'
_chemical_formula_sum            'C12 H20 Mg N2 O12'
_chemical_formula_weight         408.61
_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
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-05-06 deposited with the CCDC.	2023-01-16 downloaded from the CCDC.
;
_cell_angle_alpha                88.9529(16)
_cell_angle_beta                 80.0769(13)
_cell_angle_gamma                88.2066(14)
_cell_formula_units_Z            1
_cell_length_a                   7.5814(2)
_cell_length_b                   7.6005(3)
_cell_length_c                   7.6221(3)
_cell_measurement_reflns_used    4010
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.68
_cell_volume                     432.38(3)
_computing_cell_refinement       'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'SAINT V8.34A (Bruker AXS Inc., 2013)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'APEX3 v2018.7--RC8 (Bruker AXS, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2008)'
_diffrn_ambient_temperature      300(2)
_diffrn_detector_area_resol_mean 7.41
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0236
_diffrn_reflns_av_unetI/netI     0.0254
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4730
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.368
_diffrn_reflns_theta_min         2.681
_diffrn_source                   'microfocus sealed tube'
_exptl_absorpt_coefficient_mu    0.172
_exptl_absorpt_correction_T_max  0.8620
_exptl_absorpt_correction_T_min  0.7974
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2016/2 (Bruker AXS Inc.)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             214
_exptl_crystal_size_max          0.188
_exptl_crystal_size_mid          0.136
_exptl_crystal_size_min          0.099
_refine_diff_density_max         0.182
_refine_diff_density_min         -0.228
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     185
_refine_ls_number_reflns         1761
_refine_ls_number_restraints     109
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0393
_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^)+(0.0317P)^2^+0.2580P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0986
_refine_ls_wR_factor_ref         0.1014
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1584
_reflns_number_total             1761
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj05382a2.cif
_cod_data_source_block           r5420
_cod_depositor_comments          'Adding full bibliography for 7062228.cif.'
_cod_database_code               7062228
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.968
_shelx_estimated_absorpt_t_max   0.983
_shelx_res_checksum              73578