Crystallography Open Database

Information card for entry 7055027

Preview

Coordinates	7055027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 Cl2 Se
Calculated formula	C8 H12 Cl2 Se
Title of publication	2,6-Dihalo-9-selenabicyclo[3.3.1]nonanes and their complexes with selenium dihalides: synthesis and structural characterisation
Authors of publication	Potapov, Vladimir A.; Amosova, Svetlana V.; Abramova, Elena V.; Musalov, Maxim V.; Lyssenko, Konstantin A.; Finn, M. G.
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	10
Pages of publication	8055
a	15.5132 ± 0.0015 Å
b	7.6193 ± 0.0008 Å
c	7.9082 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	934.75 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
162103 (current)	2015-10-09	cif/ Updating files of 7055026, 7055027, 7055028 Original log message: Adding full bibliography for 7055026--7055028.cif.	7055027.cif
152577	2015-07-28	cif/ Adding structures of 7055026, 7055027, 7055028 via cif-deposit CGI script.	7055027.cif