Crystallography Open Database

Information card for entry 4308523

Preview

Coordinates	4308523.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H0.67 Cs4.26 N10 Na1.74 Nb4 O5.33 S11
Calculated formula	C10 Cs4.26 N10 Na1.74 Nb4 O5.33333 S11
Title of publication	An Unprecedented Tetranuclear Niobium Aqua Ion with a Capping μ4-Sulfido Ligand
Authors of publication	Bee-Lean Ooi; Inger Søtofte; Maja F. Bendtsen; Astrid Munch; Loa C. Nielsen; Jonas Henriksen
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	480 - 482
a	20.8033 ± 0.0006 Å
b	20.8033 ± 0.0006 Å
c	18.1398 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	6798.7 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1878
Weighted residual factors for all reflections included in the refinement	0.202
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
179123 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/85.	4308523.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308523.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308523.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308523.cif