Co(II)-catalyzed decarboxylation of itaconic acid engendering methacrylic acid and Co(II)-MOFs for structure regulated fluorescent detection of cations
Thakur, Neha; Pandey, Mrituanjay D.; Pandey, Rampal; Journal of Solid State Chemistry 280 (2019) 120987–; doi:10.1016/j.jssc.2019.120987

data_1561650
_publ_section_title
;
 Co(II)-catalyzed decarboxylation of itaconic acid engendering methacrylic
 acid and Co(II)-MOFs for structure regulated fluorescent detection of
 cations
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              120987
_journal_paper_doi               10.1016/j.jssc.2019.120987
_journal_volume                  280
_journal_year                    2019
_chemical_formula_moiety         'C2 H6 Co O6'
_chemical_formula_sum            'C2 H6 Co O6'
_chemical_formula_weight         185.00
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.420(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.6606(13)
_cell_length_b                   7.1183(12)
_cell_length_c                   9.2668(14)
_cell_measurement_reflns_used    288
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      3.42
_cell_volume                     566.50(15)
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999055
_diffrn_measured_fraction_theta_max 0.998580
_diffrn_measurement_device_type  'bruker apex II'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_unetI/netI     0.0180
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       4
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5111
_diffrn_reflns_theta_full        25.500000
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    2.988
_exptl_absorpt_correction_T_max  0.408
_exptl_absorpt_correction_T_min  0.248
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    2.1689
_exptl_crystal_description       Block
_exptl_crystal_F_000             373.6876
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.264823
_refine_diff_density_min         -0.493156
_refine_diff_density_rms         0.077654
_refine_ls_d_res_high            0.749737
_refine_ls_d_res_low             8.588077
_refine_ls_goodness_of_fit_ref   1.099321
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     108
_refine_ls_number_reflns         1406
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.099321
_refine_ls_R_factor_all          0.021789
_refine_ls_R_factor_gt           0.019109
_refine_ls_shift/su_max          0.0005
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0241P)^2^+0.2651P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.052027
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              11
_reflns_limit_h_min              -11
_reflns_limit_k_max              9
_reflns_limit_k_min              0
_reflns_limit_l_max              12
_reflns_limit_l_min              0
_reflns_number_gt                1269
_reflns_number_total             1406
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            JSSC-2019-120987.cif
_cod_data_source_block           2
_cod_database_code               1561650