Crystallography Open Database

Information card for entry 1548204

Preview

Coordinates	1548204.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Curium(III) 2,6-Pyridinedicarboxylic acid
Formula	C21 H12 Cm N3 O13.3
Calculated formula	C21 H12 Cm N3 O13.3
SMILES	[Cm]123456([O]=C(O)c7[n]4c(ccc7)C(=O)O1)(OC(=O)c1[n]5c(ccc1)C(=[O]2)O)OC(=O)c1[n]6c(C(=[O]3)O)ccc1.O.O
Title of publication	Emergence of californium as the second transitional element in the actinide series
Authors of publication	Samantha K. Cary; Monica Vasiliu; Ryan E. Baumbach; Jared T. Stritzinger; Thomas D. Green; Kariem Diefenbach; Justin N. Cross; Kenneth L. Knappenberger; Guokui Liu; Mark A. Silver; A. Eugene DePrince; Matthew J. Polinski; Shelley M. Van Cleve; Jane H. House; Naoki Kikugawa; Andrew Gallagher; Alexandra A. Arico; David A. Dixon; Thomas E. Albrecht-Schmitt
Journal of publication	Nature Communications
Year of publication	2015
Journal volume	6
Pages of publication	6827
a	11.8146 ± 0.001 Å
b	13.3852 ± 0.0012 Å
c	15.1717 ± 0.0013 Å
α	90.9375 ± 0.0017°
β	95.3161 ± 0.0017°
γ	103.111 ± 0.0017°
Cell volume	2324.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0497
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0645
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
216710 (current)	2019-07-03	Fixing Z values and formulae	1548204.cif
203541	2017-11-24	cif/ Adding structures of 1548204 via cif-deposit CGI script.	1548204.cif