Crystallography Open Database

Information card for entry 1561099

Preview

Coordinates	1561099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H25 Cm N2 O11
Calculated formula	C10 H25 Cm N2 O11
Title of publication	Advancing understanding of actinide(iii) (Ac, Am, Cm) aqueous complexation chemistry
Authors of publication	Jones, Zachary R.; Livshits, Maksim Y.; White, Frankie D.; Dalodière, Elodie; Ferrier, Maryline G.; Lilley, Laura M.; Knope, Karah E.; Kozimor, Stosh A.; Mocko, Veronika; Scott, Brian L.; Stein, Benjamin W.; Wacker, Jennifer N.; Woen, David H.
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	15
Pages of publication	5638 - 5654
a	6.7801 ± 0.0003 Å
b	15.0056 ± 0.0007 Å
c	20.489 ± 0.001 Å
α	90°
β	97.24 ± 0.001°
γ	90°
Cell volume	2067.92 ± 0.17 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298.06 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	0.0289
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0652
Goodness-of-fit parameter for all reflections included in the refinement	1.171
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
264893 (current)	2021-05-05	cif/ Updating files of 1561098, 1561099, 1561100 Original log message: Adding full bibliography for 1561098--1561100.cif.	1561099.cif
263096	2021-03-18	cif/ Adding structures of 1561098, 1561099, 1561100 via cif-deposit CGI script.	1561099.cif