A carborane-triggered metastable charge transfer state leading to spontaneous recovery of mechanochromic luminescence.
Tu, Deshuang; Leong, Pakkin; Li, Zhihong; Hu, Rongrong; Shi, Chao; Zhang, Kenneth Yin; Yan, Hong; Zhao, Qiang; Chemical communications (Cambridge, England) 52 (2016) 12494–12497; doi:10.1039/c6cc07093k

data_7125135
_publ_section_title
;
 A carborane-triggered metastable charge transfer state leading to
 spontaneous recovery of mechanochromic luminescence.
;
_journal_issue                   84
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              12494
_journal_page_last               12497
_journal_paper_doi               10.1039/c6cc07093k
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C23 H26 B10'
_chemical_formula_weight         410.54
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-04-25 deposited with the CCDC.
2016-09-28 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 94.433(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
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_cell_length_b                   23.434(7)
_cell_length_c                   12.637(4)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.48
_cell_measurement_theta_min      2.37
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_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_sigmaI/netI    0.0551
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_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       28
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_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    0.061
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.202
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             856
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0701P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_data_source_file            c6cc07093k2.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        2268.8(13)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7125135