A lead-free semiconducting hybrid with ultra-high color rendering index white-light emission
Khan, Asma; Zeb, Aurang; Li, Lina; Zhang, Weichuan; Sun, Zhihua; Wang, Yuyin; Luo, Junhua; Journal of Materials Chemistry C 6 (2018) 2801–; doi:10.1039/C7TC05384C

data_7237047
_publ_section_title
;
 A lead-free semiconducting hybrid with ultra-high color rendering index
 white-light emission
;
_journal_issue                   11
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              2801
_journal_paper_doi               10.1039/C7TC05384C
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'C12 H28 Cl5 N2 Sb'
_chemical_formula_weight         499.36
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2017-10-24 deposited with the CCDC.
2018-01-31 downloaded from the CCDC.
;
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_cell_angle_beta                 103.8230(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   16.4632(2)
_cell_length_c                   9.72240(10)
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_cell_measurement_temperature    215.00(10)
_cell_measurement_theta_max      73.2390
_cell_measurement_theta_min      4.3990
_cell_volume                     2017.93(5)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      215.00(10)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_unetI/netI     0.0385
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            11067
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.349
_diffrn_reflns_theta_min         3.506
_exptl_absorpt_coefficient_mu    16.877
_exptl_crystal_density_diffrn    1.644
_exptl_crystal_description       block
_exptl_crystal_F_000             1000
_refine_diff_density_max         1.696
_refine_diff_density_min         -5.069
_refine_diff_density_rms         0.311
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     183
_refine_ls_number_reflns         3895
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0587
_refine_ls_R_factor_gt           0.0570
_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^)+(0.1068P)^2^]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7tc05384c2.cif
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_cod_original_sg_symbol_H-M      'P 21/c'
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_shelxl_version_number           2013-2
_shelx_res_checksum              11997
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