Crystallography Open Database

Information card for entry 4334931

Preview

Coordinates	4334931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 Bi N18 P3
Calculated formula	C72 H60 Bi N18 P3
SMILES	N(=N#N)[Bi](N=N#N)(N=N#N)(N=N#N)(N=N#N)N=N#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
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	13.2553 ± 0.0003 Å
b	22.6642 ± 0.0005 Å
c	21.8342 ± 0.0005 Å
α	90°
β	96.852 ± 0.001°
γ	90°
Cell volume	6512.6 ± 0.3 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.1118
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0772
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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.	4334931.cif
100817	2014-02-07	cif/ Adding structures of 4334931 via cif-deposit CGI script.	4334931.cif