3D MOF Assisted Self-Polarized Ferroelectret: An Effective Auto-Powered Remote Healthcare Monitoring Approach.
Roy, Krittish; Jana, Srikanta; Ghosh, Sujoy Kumar; Mahanty, Biswajit; Mallick, Zinnia; Sarkar, Subrata; Sinha, Chittaranjan; Mandal, Dipankar; Langmuir : the ACS journal of surfaces and colloids  (2020) –; doi:10.1021/acs.langmuir.0c01749

data_4518078
_publ_section_title
;
 3D MOF Assisted Self-Polarized Ferroelectret: An Effective Auto-Powered
 Remote Healthcare Monitoring Approach.
;
_journal_name_full
'Langmuir : the ACS journal of surfaces and colloids'
_journal_paper_doi               10.1021/acs.langmuir.0c01749
_journal_year                    2020
_chemical_formula_sum            'C9 H11 Cd I2 N3 O'
_chemical_formula_weight         543.42
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 90.36(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.594(9)
_cell_length_b                   14.579(14)
_cell_length_c                   11.552(14)
_cell_measurement_reflns_used    3853
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      26.58
_cell_measurement_theta_min      2.37
_cell_volume                     1447(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0598
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_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5369
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         2.751
_exptl_absorpt_coefficient_mu    5.761
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    2.495
_exptl_crystal_description       Block
_exptl_crystal_F_000             992.0
_refine_diff_density_max         2.307
_refine_diff_density_min         -2.311
_refine_diff_density_rms         0.555
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.585
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     147
_refine_ls_number_reflns         1589
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.585
_refine_ls_R_factor_all          0.1245
_refine_ls_R_factor_gt           0.1167
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3312
_refine_ls_wR_factor_ref         0.3379
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1516
_reflns_number_total             1589
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            la0c01749_si_002.cif
_cod_data_source_block           SJCdISO_a
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4518078
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              97291
_shelx_hkl_checksum              74767