Crystallography Open Database

Information card for entry 4316406

Preview

Coordinates	4316406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Np2 O12
Calculated formula	C14 H12 Np2 O12
Title of publication	Structure Determination of Neptunium(VI) μ3-Hydroxobenzoate, [(NpO2)2(μ3-OH)2(H5C6COO)2].2H2O
Authors of publication	Iraida A. Charushnikova; Nikolai N. Krot; Vadim I. Makarenkov
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	7611 - 7613
a	38.4784 ± 0.001 Å
b	38.4784 ± 0.001 Å
c	8.7086 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	11166.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179244 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/64.	4316406.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316406.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316406.cif
9602	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316406 via cif-deposit CGI script.	4316406.cif