Crystallography Open Database

Information card for entry 1551206

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Coordinates	1551206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H56 N4 Si6 Th
Calculated formula	C18 H9 N4.0002 Si6 Th
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	18.497 ± 0.006 Å
b	18.497 ± 0.006 Å
c	16.973 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	5029 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.101
Residual factor for significantly intense reflections	0.0714
Weighted residual factors for significantly intense reflections	0.1843
Weighted residual factors for all reflections included in the refinement	0.1935
Goodness-of-fit parameter for all reflections included in the refinement	1.406
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.	1551206.cif
215692	2019-06-05	cif/ Adding structures of 1551204, 1551205, 1551206 via cif-deposit CGI script.	1551206.cif