Crystallography Open Database

Information card for entry 1557464

Preview

Coordinates	1557464.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	catena-poly[(Di-mu-bromobis{tetrabromotellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Se2Br10.Br2]n
Formula	C18 H28 Br12 N2 Se2
Calculated formula	C18 Br12 N2 Se2
SMILES	[N+](C)(c1ccccc1)(C)C.[Se](Br)(Br)(Br)(Br)[Br-].BrBr.[N+](C)(C)(C)c1ccccc1.[Se](Br)(Br)(Br)(Br)[Br-]
Title of publication	Syntheses and Crystal Structures of Phenyltrimethylammonium Salts of Hexabromoselenate(IV), [C6H5(CH3)3N]2[SeBr6], and catena-poly[(Di-mu-bromobis{tetrabromotellurate(IV)})-mu-bromine], [C6H5(CH3)3N]2n[Se2Br10.Br2]n
Authors of publication	Hauge, Sverre; Maroy, Kjartan
Journal of publication	Acta Chemica Scandinavica
Year of publication	1996
Journal volume	50
Pages of publication	399 - 404
a	8.698 ± 0.001 Å
b	8.931 ± 0.001 Å
c	11.563 ± 0.001 Å
α	94.74 ± 0.01°
β	101.87 ± 0.02°
γ	90.47 ± 0.02°
Cell volume	875.73 ± 0.17 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.046
Goodness-of-fit parameter for all reflections included in the refinement	1.4
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
248763 (current)	2020-03-04	cif/ Adding structures of 1557464 via cif-deposit CGI script.	1557464.cif