Crystallography Open Database

Information card for entry 4348397

Preview

Coordinates	4348397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H42 Mg O22 U2
Calculated formula	C18 H42 Mg O22 U2
SMILES	C1(=[O][U]23(=O)(=O)([O]=C(CC)O2)([O]=C(CC)O3)O1)CC.O=[U]123(=O)([O]=C(CC)O1)([O]=C(CC)O2)[O]=C(CC)O3.[Mg]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2]
Title of publication	Synthesis and X-ray Crystallography of [Mg(H2O)6][AnO2(C2H5COO)3]2 (An = U, Np, or Pu).
Authors of publication	Serezhkin, Viktor N.; Grigoriev, Mikhail S.; Abdulmyanov, Aleksey R.; Fedoseev, Aleksandr M.; Savchenkov, Anton V.; Serezhkina, Larisa B.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	15
Pages of publication	7688 - 7693
a	21.0268 ± 0.0003 Å
b	21.0268 ± 0.0003 Å
c	26.4214 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	10116.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0245
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0325
Weighted residual factors for all reflections included in the refinement	0.0336
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
232898 (current)	2019-11-23	cif/ Adding structures of 4348397, 4348398, 4348399 via cif-deposit CGI script.	4348397.cif