Crystallography Open Database

Information card for entry 1548205

Preview

Coordinates	1548205.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Californium(III) 2,6-Pyridinedicarboxylic acid
Formula	C21 H12 Cf N3 O13
Calculated formula	C21 H12 Cf N3 O13
SMILES	[Cf]123456(OC(=O)c7[n]4c(ccc7)C(=[O]1)O)([O]=C(O)c1[n]5c(ccc1)C(=O)O2)OC(=O)c1[n]6c(C(=[O]3)O)ccc1.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	11.7542 ± 0.0004 Å
b	13.4315 ± 0.0005 Å
c	15.1978 ± 0.0006 Å
α	91.118 ± 0.0012°
β	95.911 ± 0.0011°
γ	103.107 ± 0.0012°
Cell volume	2322.17 ± 0.15 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	0.0503
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0943
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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	1548205.cif
203542	2017-11-24	cif/ Adding structures of 1548205 via cif-deposit CGI script.	1548205.cif