Crystallography Open Database

Information card for entry 7004495

Preview

Coordinates	7004495.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H135 N3 O28 V10
Calculated formula	C60 H132 N3 O28 V10
Title of publication	Guest driven rearrangements of protonation and hydrogen bonding in decavanadate anions as their tetraalkylammonium salts
Authors of publication	Nakamura, Setsuko; Ozeki, Tomoji
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	44
Pages of publication	6135 - 6140
a	15.542 ± 0.0002 Å
b	34.9806 ± 0.0002 Å
c	35.6115 ± 0.0004 Å
α	119.342 ± 0.001°
β	91.881 ± 0.001°
γ	100.598 ± 0.001°
Cell volume	16417.5 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.1287
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.1508
Weighted residual factors for all reflections included in the refinement	0.1832
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179748 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/44.	7004495.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004495.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004495.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7004495.cif