Crystallography Open Database

Information card for entry 4308327

Preview

Coordinates	4308327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H54 N4 O43 Si V2 W10
Calculated formula	C16 N4 O43 Si V2 W10
SMILES	[W]1234(O[V]56(O[V]7(O5)(O[W]589(O[W]%10%11(O1)(O[W]1%12(O3)(O[W]3(O8)(O%10)(O[W]8%10%13(O[W]%14(O7)(O5)(O[W]57(O[W]%15(O6)(O2)(O[W](O5)(O%10)(O1)([O]%137[Si]([O]4%15)([O]9%14)[O]%11%123)=O)=O)(O8)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O.O.O.O.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C
Title of publication	Sterically Controlled Esterification on Bis(μ-hydroxo) Dioxovanadium Site in γ-H2SiV2W10O404-
Authors of publication	Yoshinao Nakagawa; Kazuhiro Uehara; Noritaka Mizuno
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	14 - 16
a	11.7992 ± 0.0007 Å
b	37.804 ± 0.002 Å
c	12.7372 ± 0.0008 Å
α	90°
β	110.308 ± 0.003°
γ	90°
Cell volume	5328.4 ± 0.5 Å³
Cell temperature	113.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.022
Weighted residual factors for all reflections included in the refinement	0.025
Goodness-of-fit parameter for all reflections included in the refinement	1.911
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4308327.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308327.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308327.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).	4308327.cif