Crystallography Open Database

Information card for entry 7246480

Preview

Coordinates	7246480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 Br2 Cl2 Cu I2 N2
Calculated formula	C10 H6 Br2 Cl2 Cu I2 N2
Title of publication	Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies
Authors of publication	Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	16
Pages of publication	2390 - 2403
a	6.5931 ± 0.0003 Å
b	8.549 ± 0.0004 Å
c	15.1333 ± 0.0009 Å
α	90°
β	98.729 ± 0.005°
γ	90°
Cell volume	843.1 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0671
Weighted residual factors for all reflections included in the refinement	0.0745
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
283208 (current)	2023-05-05	cif/ Updating files of 7246477, 7246478, 7246479, 7246480, 7246481 Original log message: Adding full bibliography for 7246477--7246481.cif.	7246480.cif
281962	2023-03-22	cif/ Adding structures of 7246477, 7246478, 7246479, 7246480, 7246481 via cif-deposit CGI script.	7246480.cif