Crystallography Open Database

Information card for entry 2311990

2311989 << 2311990 >> 2311991

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Coordinates	2311990.cif
Original IUCr paper	HTML

Structure parameters

Common name	1D-octamolybdate Chain
Chemical name	Tris(triethylaminium) hemi(dopentacontaoxidopotassiohexadecamolybdate) monohydrate
Formula	C18 H50 K Mo8 N3 O27
Calculated formula	C18 H50 K Mo8 N3 O27
Title of publication	pH-induced phase transition and crystallization of soft-oxometalates (SOMs) into polyoxometalates (POMs): a study on crystallization from colloids.
Authors of publication	Paul, Shounik; Sreejith, S. S.; Roy, Soumyajit
Journal of publication	Acta crystallographica. Section C, Structural chemistry
Year of publication	2018
Journal volume	74
Journal issue	Pt 11
Pages of publication	1274 - 1283
a	25.1247 ± 0.0008 Å
b	10.7583 ± 0.0003 Å
c	18.5442 ± 0.0005 Å
α	90°
β	121.835 ± 0.003°
γ	90°
Cell volume	4258.5 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.0564
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
246231 (current)	2019-12-27	cif/ Adding structures of 2311990 via cif-deposit CGI script.	2311990.cif