Crystallography Open Database

Information card for entry 4306547

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Coordinates	4306547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H136 Mn Mo6 N7 O28
Calculated formula	C62 H127 Mn Mo6 N7 O28
Title of publication	Sorting the Assemblies of Unsymmetrically Covalently Functionalized Mn-Anderson Polyoxometalate Clusters with Mass Spectrometry
Authors of publication	Yu-Fei Song; De-Liang Long; Stephanie E. Kelly; Leroy Cronin
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	9137 - 9139
a	25.2777 ± 0.0012 Å
b	13.7232 ± 0.0006 Å
c	24.7334 ± 0.0011 Å
α	90°
β	91.993 ± 0.002°
γ	90°
Cell volume	8574.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0776
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1253
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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