Crystallography Open Database

Information card for entry 7019594

7019593 << 7019594 >> 7019595

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Coordinates	7019594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H432 K12 Mo102 Na2 O555 S14 V
Calculated formula	K9.5 Mo102 O465.4 S12
Title of publication	Mapping the formation areas of giant molybdenum blue clusters: a spectroscopic study.
Authors of publication	Botar, Bogdan; Ellern, Arkady; Kögerler, Paul
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	29
Pages of publication	8951 - 8959
a	44.416 ± 0.0006 Å
b	26.5633 ± 0.0003 Å
c	44.703 ± 0.0005 Å
α	90°
β	103.82 ± 0.0012°
γ	90°
Cell volume	51215.4 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.1056
Residual factor for significantly intense reflections	0.0851
Weighted residual factors for significantly intense reflections	0.2073
Weighted residual factors for all reflections included in the refinement	0.2251
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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