Crystallography Open Database

Information card for entry 7005979

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Coordinates	7005979.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	heptasodium hexaniobate
Formula	H62 Na14 Nb12 O68
Calculated formula	H48 Na14 Nb12 O68
Title of publication	An aqueous route to [Ta6O19]8- and solid-state studies of isostructural niobium and tantalum oxide complexes.
Authors of publication	Anderson, Travis M.; Rodriguez, Mark A.; Bonhomme, François; Bixler, Joel N.; Alam, Todd M.; Nyman, May
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2007
Journal issue	40
Pages of publication	4517 - 4522
a	10.0632 ± 0.0005 Å
b	12.1301 ± 0.0007 Å
c	12.6705 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1546.66 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	58
Hermann-Mauguin space group symbol	P m n n
Hall space group symbol	-P 2n 2
Residual factor for all reflections	0.0173
Residual factor for significantly intense reflections	0.0165
Weighted residual factors for significantly intense reflections	0.0479
Weighted residual factors for all reflections included in the refinement	0.0483
Goodness-of-fit parameter for all reflections included in the refinement	1.217
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7005979.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7005979.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7005979.cif
1186	2010-06-03	Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing.	7005979.cif