Studying weak interactions in crystals at high pressures: when hardware matters
Zakharov, Boris A.; Gal, Zoltan; Cruickshank, Dyanne; Boldyreva, Elena V.; Acta Crystallographica Section E 74 (2018) 613–619; doi:10.1107/S205698901800470X

data_2242445
_publ_section_title
;
 Studying weak interactions in crystals at high pressures: when hardware
 matters
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              613
_journal_page_last               619
_journal_paper_doi               10.1107/S205698901800470X
_journal_volume                  74
_journal_year                    2018
_chemical_formula_moiety         'C6 H2 Br4'
_chemical_formula_sum            'C6 H2 Br4'
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_chemical_name_common            1,2,4,5-tetrabromobenzene
_chemical_name_systematic        1,2,4,5-tetrabromobenzene
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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_computing_cell_refinement
;
CrysAlisPro (Rigaku OD, 2016)
;
_computing_data_collection
;
CrysAlisPro (Rigaku OD, 2016)
;
_computing_data_reduction
;
CrysAlisPro (Rigaku OD, 2016)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
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;
SHELXL-2018/1 (Sheldrick, 2015) and publCIF (Westrip, 2010)
;
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;
SHELXL-2018/1 (Sheldrick, 2015)
;
_diffrn_ambient_temperature      293(2)
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_exptl_absorpt_correction_T_min  0.63827
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;
(CrysAlisPro; Rigaku OD, 2016)
;
_exptl_crystal_colour            colourless
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_refine_ls_shift/su_max          0.523
_refine_ls_shift/su_mean         0.017
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0698P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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