Crystallography Open Database

Information card for entry 7125579

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Coordinates	7125579.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Disodium Tetrakis(tetramethylammonium) hydrogen undecatungstophosphate octahydrate
Formula	C16 H65 N4 Na2 O47 P W11
Calculated formula	C16 H48 N4 Na2 O47 P W11
SMILES	C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.[N+](C)(C)(C)C.O=[W]123(=O)[O]4P56=O[W]789(=O)O[W]%10%11(=O)(O[W]4(=O)(=O)(O8)O3)[O]6[W]34(O[W]6(O[W]8(=O)(O3)O[W](=O)(=O)(O[W](=O)(=O)(O9)O6)O[W](=O)(O5)(O[W](=O)(O1)(O%10)O4)(O8)O2)(=O)O7)(=O)O%11.O.O.[Na+].[Na+].O.O.O.O.O.O
Title of publication	Self-assembly of a lacunary alpha-Keggin undecatungstophosphate into a three-dimensional network linked by s-block cations.
Authors of publication	Honma, Noritaka; Kusaka, Katsuhiro; Ozeki, Tomoji
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2002
Journal issue	23
Pages of publication	2896 - 2897
a	18.494 ± 0.001 Å
b	18.102 ± 0.001 Å
c	19.214 ± 0.001 Å
α	90°
β	106.206 ± 0.003°
γ	90°
Cell volume	6176.8 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.3282 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244059 (current)	2019-11-28	cif/ Adding structures of 7125579 via cif-deposit CGI script.	7125579.cif