Crystallography Open Database

Information card for entry 4334929

Preview

Coordinates	4334929.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bismuth azide acetonitrile adduct
Formula	C2 H3 Bi N10
Calculated formula	C2 H3 Bi N10
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	12.5136 ± 0.0011 Å
b	11.1737 ± 0.001 Å
c	6.2729 ± 0.0005 Å
α	90°
β	103.362 ± 0.006°
γ	90°
Cell volume	853.35 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1267
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
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.	4334929.cif
100815	2014-02-07	cif/ Adding structures of 4334929 via cif-deposit CGI script.	4334929.cif