Crystallography Open Database

Information card for entry 4334928

Preview

Coordinates	4334928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H6 Bi N9 O
Calculated formula	C3 H6 Bi N9 O
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	12.9369 ± 0.001 Å
b	11.465 ± 0.0008 Å
c	6.3166 ± 0.0004 Å
α	90°
β	91.374 ± 0.005°
γ	90°
Cell volume	936.62 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0833
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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.	4334928.cif
100814	2014-02-07	cif/ Adding structures of 4334928 via cif-deposit CGI script.	4334928.cif