Two-Dimensional MOF Modulated Fiber Nanogenerator for Effective Acoustoelectric Conversion and Human Motion Detection
Roy, Krittish; Jana, Srikanta; Mallick, Zinnia; Ghosh, Sujoy Kumar; Dutta, Basudeb; Sarkar, Subrata; Sinha, Chittaranjan; Mandal, Dipankar; Langmuir  (2021) –; doi:10.1021/acs.langmuir.1c00700

data_1563058
_publ_section_title
;
 Two-Dimensional MOF Modulated Fiber Nanogenerator for Effective
 Acoustoelectric Conversion and Human Motion Detection
;
_journal_name_full               Langmuir
_journal_paper_doi               10.1021/acs.langmuir.1c00700
_journal_year                    2021
_chemical_formula_sum            'C10 H10 Cd I2 N2'
_chemical_formula_weight         524.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 123.300(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.4576(12)
_cell_length_b                   4.4693(3)
_cell_length_c                   14.9836(9)
_cell_measurement_reflns_used    5189
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.73
_cell_measurement_theta_min      2.76
_cell_volume                     1201.00(13)
_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      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0281
_diffrn_reflns_av_unetI/netI     0.0160
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7896
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.271
_exptl_absorpt_coefficient_mu    6.928
_exptl_crystal_colour            Deepviolet
_exptl_crystal_density_diffrn    2.900
_exptl_crystal_description       Niddle
_exptl_crystal_F_000             952.0
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.085
_exptl_crystal_size_min          0.076
_refine_diff_density_max         1.188
_refine_diff_density_min         -0.849
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     69
_refine_ls_number_reflns         1055
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0243
_refine_ls_R_factor_gt           0.0232
_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^)+(0.0382P)^2^+5.5185P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0612
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1007
_reflns_number_total             1055
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            la1c00700_si_002.cif
_cod_data_source_block           SJCdN_a
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1563058
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              51494
_shelx_hkl_checksum              64729