Crystallography Open Database

Information card for entry 1557020

Preview

Coordinates	1557020.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Br10 N2 Se5
Calculated formula	C18 Br10 N2 Se5
SMILES	[N+](C)(c1ccccc1)(C)C.[Br-][Se]([Br-])(Br)(Br)(Br)Br.Br[Se][Se]Br.[N+](C)(C)(C)c1ccccc1.Br[Se][Se]Br
Title of publication	Syntheses and Crystal Structures of Salts of Hexabromotetraselenate(I) and Hexabromoselenate(IV)bis{dibromodiselenate(I)}
Authors of publication	Hauge, Sverre; Janickis, Vitalijus; Maroy, Kjartan
Journal of publication	Acta Chemica Scandinavica
Year of publication	1998
Journal volume	52
Pages of publication	1104 - 1108
a	8.683 ± 0.002 Å
b	12.762 ± 0.003 Å
c	16.34 ± 0.003 Å
α	90°
β	104.29 ± 0.03°
γ	90°
Cell volume	1754.7 ± 0.7 Å³
Ambient diffraction temperature	109 K
Number of distinct elements	5
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	0.1598
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.2031
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
246773 (current)	2020-01-13	cif/ Adding structures of 1557020 via cif-deposit CGI script.	1557020.cif