New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate ligands: structural, computational and Hirshfeld surfaces studies
Kia, Reza; Mahmoudi, Soheil; Raithby, Paul R.; CrystEngComm 21 (2019) 77–; doi:10.1039/C8CE01860J

data_7231944
_publ_section_title
;
 New rhenium-tricarbonyl complexes bearing halogen-substituted bidentate
 ligands: structural, computational and Hirshfeld surfaces studies
;
_journal_issue                   1
_journal_name_full               CrystEngComm
_journal_page_first              77
_journal_paper_doi               10.1039/C8CE01860J
_journal_volume                  21
_journal_year                    2019
_chemical_formula_moiety         'C21 H12 Br Cl2 F6 N2 O3 Re'
_chemical_formula_sum            'C21 H12 Br Cl2 F6 N2 O3 Re'
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_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
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;
2018-10-04 deposited with the CCDC.
2018-11-01 downloaded from the CCDC.
;
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;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0445P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments
'Adding full bibliography for 7231936--7231944.cif.'
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