Crystallography Open Database

Information card for entry 4116211

Preview

Coordinates	4116211.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H38 Cs2 Mo10 O35 S10
Calculated formula	C5 Cs2 Mo10 O35 S10
Title of publication	"Wheeling Templates" in Molecular Oxothiomolybdate Rings: Syntheses, Structures, and Dynamics
Authors of publication	Bernadette Salignac; Sandra Riedel; Anne Dolbecq; Francis Sécheresse; Emmanuel Cadot
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	10381 - 10389
a	13.5426 ± 0.0002 Å
b	18.5523 ± 0.0003 Å
c	22.5839 ± 0.0003 Å
α	90°
β	103.703 ± 0.001°
γ	90°
Cell volume	5512.62 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for all reflections	0.1365
Weighted residual factors for significantly intense reflections	0.1299
Goodness-of-fit parameter for all reflections	0.995
Goodness-of-fit parameter for significantly intense reflections	1.131
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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