May halogen bonding interactions compete with Cu⋯Cl semi-coordinate bonds? Structural, magnetic and theoretical studies of two polymorphs of trans-bis(5-bromo-2-chloro pyridine)dichlorocopper(ii) and trans-bis(2,5-dichloropyridine)dichlorocopper(ii)
Awwadi, Firas F.; Turnbull, Mark M.; Alwahsh, Manal I.; Haddad, Salim F.; New Journal of Chemistry 42 (2018) 10642–; doi:10.1039/C8NJ00422F

data_7057225
_publ_section_title
;
 May halogen bonding interactions compete with Cu&#x22EF;Cl
 semi-coordinate bonds? Structural, magnetic and theoretical studies of
 two polymorphs of trans-bis(5-bromo-2-chloro pyridine)dichlorocopper(ii)
 and trans-bis(2,5-dichloropyridine)dichlorocopper(ii)
;
_journal_issue                   13
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              10642
_journal_paper_doi               10.1039/C8NJ00422F
_journal_volume                  42
_journal_year                    2018
_chemical_formula_sum            'C10 H6 Br2 Cl4 Cu N2'
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_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
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_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
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2018-01-20 deposited with the CCDC.
2018-03-29 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
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_cell_length_b                   14.3008(8)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
;
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
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_diffrn_radiation_monochromator  graphite
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CrysAlisPro, Agilent Technologies,
Version 1.171.35.11 (release 16-05-2011 CrysAlis171 .NET)
(compiled May 16 2011,17:55:39)
Empirical absorption correction using spherical harmonics,
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;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.220
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parrallelpiped
_exptl_crystal_F_000             988
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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^)+(0.0339P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0697
_refine_ls_wR_factor_ref         0.0732
_reflns_number_gt                1360
_reflns_number_total             1639
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8nj00422f2.cif
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_cod_depositor_comments
'Adding full bibliography for 7057225--7057228.cif.'
_cod_original_cell_volume        1554.0(2)
_cod_database_code               7057225