Chemistry through cocrystals: pressure-induced polymerization of C<sub>2</sub>H<sub>2</sub>·C<sub>6</sub>H<sub>6</sub> to an extended crystalline hydrocarbon.
Ward, Matthew D.; Huang, Haw-Tyng; Zhu, Li; Biswas, Arani; Popov, Dmitry; Badding, John V.; Strobel, Timothy A.; Physical chemistry chemical physics : PCCP 20 (2018) 7282–7294; doi:10.1039/c7cp07852h

data_7230076
_publ_section_title
;
 Chemistry through cocrystals: pressure-induced polymerization of
 C<sub>2</sub>H<sub>2</sub>&#x00B7;C<sub>6</sub>H<sub>6</sub> to an
 extended crystalline hydrocarbon.
;
_journal_issue                   10
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              7282
_journal_page_last               7294
_journal_paper_doi               10.1039/c7cp07852h
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C6 H6, C2 H2'
_chemical_formula_sum            'C8 H8'
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_space_group_crystal_system      trigonal
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-02-01 deposited with the CCDC.
2018-02-02 downloaded from the CCDC.
;
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_computing_structure_solution    'SHELXS-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
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_diffrn_measurement_device_type  'MAR 2300'
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_exptl_absorpt_coefficient_mu    0.041
_exptl_absorpt_correction_type   none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[\s^2^(Fo^2^)] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0338
_refine_ls_wR_factor_ref         0.0355
_reflns_Friedel_coverage         0.000
_reflns_number_gt                37
_reflns_number_total             38
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7cp07852h2.cif
_cod_data_source_block           0p7GPa
_cod_depositor_comments          'Adding full bibliography for 7230076.cif.'
_cod_original_cell_volume        468.37(17)
_cod_database_code               7230076
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              82424
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