Crystallography Open Database

Information card for entry 4334930

Preview

Coordinates	4334930.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tris(tetraphenylphosphonium) hexaazidobismuthate/ pentaazido(chloro)bismuthate
Formula	C72 H60 Bi Cl0.12 N17.64 P3
Calculated formula	C72 H60 Bi Cl0.121 N17.634 P3
Title of publication	Solid State Structure of Bi(N3)3, Bi(N3)3.Solvates and the Structural Dynamics in the [Bi(N3)6]3- Anion
Authors of publication	Kati Rosenstengel; Axel Schulz; Alexander Villinger
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6110 - 6126
a	13.288 ± 0.0005 Å
b	22.6627 ± 0.0009 Å
c	22.0071 ± 0.0009 Å
α	90°
β	97.025 ± 0.002°
γ	90°
Cell volume	6577.5 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0599
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0665
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179452 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/49.	4334930.cif
100816	2014-02-07	cif/ Adding structures of 4334930 via cif-deposit CGI script.	4334930.cif