Crystallography Open Database

Information card for entry 4108165

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Coordinates	4108165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H978.5 Mo151 N26.25 O628.75
Calculated formula	Mo151 O655
Title of publication	The pH Dependent Nuclearity Variation of {Mo154-x}-type Polyoxomolybdates and Tectonic Effect on Their Aggregations
Authors of publication	Sayaka Shishido; Tomoji Ozeki
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	10588 - 10595
a	30.163 ± 0.0005 Å
b	34.0804 ± 0.0004 Å
c	46.7339 ± 0.0007 Å
α	93.9918 ± 0.0007°
β	94.4527 ± 0.0009°
γ	95.37 ± 0.001°
Cell volume	47542.5 ± 1.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1693
Residual factor for significantly intense reflections	0.1209
Weighted residual factors for significantly intense reflections	0.3592
Weighted residual factors for all reflections included in the refinement	0.4008
Goodness-of-fit parameter for all reflections included in the refinement	1.011
Diffraction radiation wavelength	0.689 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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