Stable isomeric layered indium coordination polymers for high proton conduction
Guo, Xiuli; Li, Zhenhua; Chen, Xiaobo; Liang, Dadong; Li, Chunguang; Li, Guanghua; Wang, Li; Shi, Zhan; Feng, Shouhua; CrystEngComm 24 (2022) 294–299; doi:10.1039/D1CE01107C

data_7243980
_publ_section_title
;
 Stable isomeric layered indium coordination polymers for high proton
 conduction
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              294
_journal_page_last               299
_journal_paper_doi               10.1039/D1CE01107C
_journal_volume                  24
_journal_year                    2022
_chemical_formula_sum            'C14 H13 Cl In N O7'
_chemical_formula_weight         457.52
_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   mixed
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2021-09-18 deposited with the CCDC.	2021-11-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 119.2910(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.8240(7)
_cell_length_b                   13.4404(5)
_cell_length_c                   13.6238(5)
_cell_measurement_reflns_used    3781
_cell_measurement_temperature    199(2)
_cell_measurement_theta_max      28.363
_cell_measurement_theta_min      4.314
_cell_volume                     3165.9(2)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      199(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.955
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0136
_diffrn_reflns_av_unetI/netI     0.0160
_diffrn_reflns_Laue_measured_fraction_full 0.944
_diffrn_reflns_Laue_measured_fraction_max 0.955
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            10135
_diffrn_reflns_point_group_measured_fraction_full 0.944
_diffrn_reflns_point_group_measured_fraction_max 0.955
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.363
_diffrn_reflns_theta_min         4.314
_exptl_absorpt_coefficient_mu    1.699
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.920
_exptl_crystal_description       rob
_exptl_crystal_F_000             1808
_refine_diff_density_max         0.498
_refine_diff_density_min         -0.490
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         3781
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.090
_refine_ls_R_factor_all          0.0208
_refine_ls_R_factor_gt           0.0205
_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^)+(0.0060P)^2^+9.3933P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0485
_refine_ls_wR_factor_ref         0.0487
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3700
_reflns_number_total             3781
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1ce01107c2.cif
_cod_data_source_block           sad
_cod_depositor_comments
'Adding full bibliography for 7243980--7243981.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7243980
_shelxl_version_number           2014-3
_shelx_res_checksum              67169
_shelx_hkl_checksum              28578