Crystallography Open Database

Information card for entry 7057226

Preview

Coordinates	7057226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 Cl6 Cu N2
Calculated formula	C10 H6 Cl6 Cu N2
Title of publication	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)
Authors of publication	Awwadi, Firas F.; Turnbull, Mark M.; Alwahsh, Manal I.; Haddad, Salim F.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	13
Pages of publication	10642
a	8.1852 ± 0.0004 Å
b	12.5785 ± 0.0006 Å
c	14.585 ± 0.0006 Å
α	90°
β	91.223 ± 0.004°
γ	90°
Cell volume	1501.29 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0406
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230380 (current)	2019-11-17	cif/ Updating files of 7057225, 7057226, 7057227, 7057228 Original log message: Adding full bibliography for 7057225--7057228.cif.	7057226.cif
207188	2018-03-30	cif/ Adding structures of 7057225, 7057226, 7057227, 7057228 via cif-deposit CGI script.	7057226.cif