Crystallography Open Database

Information card for entry 4334942

Preview

Coordinates	4334942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 Bi N18 P3
Calculated formula	C72 H60 Bi N18 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	13.3826 ± 0.0002 Å
b	22.7094 ± 0.0003 Å
c	22.1128 ± 0.0003 Å
α	90°
β	97.009 ± 0.001°
γ	90°
Cell volume	6670.1 ± 0.16 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 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	0.0996
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.063
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	0.996
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.	4334942.cif
100828	2014-02-07	cif/ Adding structures of 4334942 via cif-deposit CGI script.	4334942.cif