Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular inclusion compounds
Alshahateet, Solhe F.; Bhadbhade, Mohan M.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.; CrystEngComm 17 (2015) 9111–; doi:10.1039/C5CE01838B

data_7223155
_publ_section_title
;
 Halogen containing clusters N2Br2, N2Br4, S2Br4and S2Br6yield penannular
 inclusion compounds
;
_journal_issue                   47
_journal_name_full               CrystEngComm
_journal_page_first              9111
_journal_paper_doi               10.1039/C5CE01838B
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C22 H12 Br4 N2 S,0.5(C10 H20)'
_chemical_formula_sum            'C27 H22 Br4 N2 S'
_chemical_formula_weight         726.2
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source
'International Tables for X-ray Crystallography, Vol. IV'
_audit_creation_method           'RAELSPUB and manual entry'
_audit_update_record
;
2015-08-19 deposited with the CCDC.
2015-10-27 downloaded from the CCDC.
;
_cell_angle_alpha                88.73(4)
_cell_angle_beta                 76.54(4)
_cell_angle_gamma                78.50(4)
_cell_formula_units_Z            2
_cell_length_a                   9.488(4)
_cell_length_b                   10.506(6)
_cell_length_c                   13.679(8)
_cell_measurement_reflns_used    10
_cell_measurement_temperature    294
_cell_measurement_theta_max      11
_cell_measurement_theta_min      10
_cell_volume                     1299.0(12)
_computing_cell_refinement       'CAD4 Version 5.0, 1989'
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_computing_molecular_graphics    'ORTEP-II, (Johnson, 1976)'
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_computing_structure_solution    'SIR92 (Altomare et al, 1994)'
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_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Nonius CAD-4'
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_diffrn_reflns_theta_full        25
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_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0004F^2^]'
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'Adding full bibliography for 7223151--7223155.cif.'
_cod_original_cell_volume        1299(1)
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