Crystallography Open Database

Information card for entry 1557112

Preview

Coordinates	1557112.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	UImNHCNPMe3
Formula	C76 H99 N6 O P U
Calculated formula	C76 H99 N6 O P U
Title of publication	Intra- and intermolecular interception of a photochemically generated terminal uranium nitride
Authors of publication	Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	9
Pages of publication	2381 - 2387
a	25.884 ± 0.005 Å
b	13.889 ± 0.003 Å
c	21.315 ± 0.004 Å
α	90°
β	110.09 ± 0.03°
γ	90°
Cell volume	7197 ± 3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	6
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	0.0422
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
257368 (current)	2020-10-06	cif/ Updating files of 1557110, 1557111, 1557112, 1557113, 1557114 Original log message: Adding full bibliography for 1557110--1557114.cif.	1557112.cif
250241	2020-04-05	cif/ Updating files of 1557110, 1557111, 1557112, 1557113, 1557114 Original log message: Adding full bibliography for 1557110--1557114.cif.	1557112.cif
247102	2020-01-23	cif/ Adding structures of 1557110, 1557111, 1557112, 1557113, 1557114 via cif-deposit CGI script.	1557112.cif