Crystallography Open Database

Information card for entry 4108160

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Coordinates	4108160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H396 Mo138 N28 O556
Calculated formula	Mo138 O584
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	27.7619 ± 0.0005 Å
b	42.6994 ± 0.001 Å
c	30.2459 ± 0.0007 Å
α	90°
β	95.858 ± 0.001°
γ	90°
Cell volume	35666.8 ± 1.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1149
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.1922
Weighted residual factors for all reflections included in the refinement	0.2081
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.689 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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