Crystallography Open Database

Information card for entry 1557114

Preview

Coordinates	1557114.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	UImNHCNPhNC
Formula	C82 H101 N7 O U
Calculated formula	C82 H101 N7 O 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	13.1812 ± 0.0005 Å
b	15.8571 ± 0.0006 Å
c	19.6743 ± 0.0008 Å
α	110.71 ± 0.002°
β	90.48 ± 0.002°
γ	105.002 ± 0.002°
Cell volume	3692.6 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.0924
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	1557114.cif
250241	2020-04-05	cif/ Updating files of 1557110, 1557111, 1557112, 1557113, 1557114 Original log message: Adding full bibliography for 1557110--1557114.cif.	1557114.cif
247102	2020-01-23	cif/ Adding structures of 1557110, 1557111, 1557112, 1557113, 1557114 via cif-deposit CGI script.	1557114.cif