Crystallography Open Database

Information card for entry 1551205

Preview

Coordinates	1551205.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H148 K N7 O8 Si12 Th2
Calculated formula	C56 H148 K N7 O8 Si12 Th2
Title of publication	Use of <sup>15</sup> N NMR spectroscopy to probe covalency in a thorium nitride
Authors of publication	Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.
Journal of publication	Chemical Science
Year of publication	2019
Journal volume	10
Journal issue	26
Pages of publication	6431 - 6436
a	11.893 ± 0.003 Å
b	14.617 ± 0.004 Å
c	14.62 ± 0.004 Å
α	74.546 ± 0.015°
β	71.051 ± 0.015°
γ	71.238 ± 0.014°
Cell volume	2238.5 ± 1.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1177
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.1803
Weighted residual factors for all reflections included in the refinement	0.195
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1551205.cif
215692	2019-06-05	cif/ Adding structures of 1551204, 1551205, 1551206 via cif-deposit CGI script.	1551205.cif