New crystalline 1D/2D/3D indium selenides directed by piperidine and auxiliary solvents.
Xue, Chaozhuang; Lin, Jian; Zhang, Yifan; Liu, Zhiyang; Li, Rui; Gong, Shuwen; Qu, Konggang; Dalton transactions (Cambridge, England : 2003) 51 (2022) 3248–3253; doi:10.1039/d2dt00174h

data_7709445
_publ_section_title
;
 New crystalline 1D/2D/3D indium selenides directed by piperidine and
 auxiliary solvents.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3248
_journal_page_last               3253
_journal_paper_doi               10.1039/d2dt00174h
_journal_volume                  51
_journal_year                    2022
_chemical_formula_sum            'C140 H336 In28 N36 Se72'
_chemical_formula_weight         11424.51
_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'
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-01-18 deposited with the CCDC.	2022-01-25 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.287(4)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   11.9488(15)
_cell_length_b                   23.780(3)
_cell_length_c                   27.236(3)
_cell_measurement_reflns_used    9609
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      25.28
_cell_measurement_theta_min      2.19
_cell_volume                     7614.5(16)
_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-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.996
_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  0.0928
_diffrn_reflns_av_unetI/netI     0.1174
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            40105
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.409
_diffrn_reflns_theta_min         1.145
_exptl_absorpt_coefficient_mu    10.718
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.491
_exptl_crystal_description       block
_exptl_crystal_F_000             5248
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   0.7452
_exptl_transmission_factor_min   0.4160
_refine_diff_density_max         7.344
_refine_diff_density_min         -1.844
_refine_diff_density_rms         0.313
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         13985
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          0.0858
_refine_ls_R_factor_gt           0.0577
_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^)+(0.0744P)^2^+69.2486P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1536
_refine_ls_wR_factor_ref         0.1761
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9516
_reflns_number_total             13985
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt00174h2.cif
_cod_data_source_block           ISP-1
_cod_depositor_comments
'Adding full bibliography for 7709442--7709445.cif.'
_cod_original_cell_volume        7614.3(16)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7709445
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.088
_shelx_estimated_absorpt_t_max   0.0342
_shelx_res_checksum              96651
_shelx_hkl_checksum              6518
_shelx_fab_checksum              84046