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_1561649
_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         '3(C H Co0.33 O2), C2 H8 N'
_chemical_formula_sum            'C5 H11 Co N O6'
_chemical_formula_weight         240.08
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.1902(16)
_cell_length_b                   8.1902(16)
_cell_length_c                   22.076(4)
_cell_measurement_reflns_used    273
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      3.39
_cell_volume                     1282.4(4)
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.9901
_diffrn_measured_fraction_theta_max 0.8462
_diffrn_measurement_device_type  'bruker apex II'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_unetI/netI     0.0214
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -2
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            491
_diffrn_reflns_theta_full        28.262570
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    2.007
_exptl_absorpt_correction_T_max  0.672
_exptl_absorpt_correction_T_min  0.494
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    1.8650
_exptl_crystal_description       Block
_exptl_crystal_F_000             740.5800
_exptl_crystal_recrystallization_method hydrothermal
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.345919
_refine_diff_density_min         -0.490554
_refine_diff_density_rms         0.092118
_refine_ls_d_res_high            0.750486
_refine_ls_d_res_low             5.967119
_refine_ls_goodness_of_fit_ref   1.175340
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    4
_refine_ls_number_parameters     28
_refine_ls_number_reflns         296
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.175340
_refine_ls_R_factor_all          0.028846
_refine_ls_R_factor_gt           0.027174
_refine_ls_shift/su_max          0.0003
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0448P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.070930
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              9
_reflns_limit_h_min              0
_reflns_limit_k_max              5
_reflns_limit_k_min              0
_reflns_limit_l_max              28
_reflns_limit_l_min              -28
_reflns_number_gt                273
_reflns_number_total             296
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            JSSC-2019-120987.cif
_cod_data_source_block           TR1_a
_cod_original_sg_symbol_H-M      'R -3 c'
_cod_database_code               1561649