Crystallography Open Database

Information card for entry 7058642

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Structure parameters

Formula	C52 H130 Mn6 N6 O38 V8
Calculated formula	C52 H130 Mn6 N6 O38 V8
Title of publication	Redox active mixed-valence hexamanganese double-cubane complexes supported by tetravanadates
Authors of publication	Maruyama, Tatsuya; Namekata, Akimi; Sakiyama, Hiroshi; Kikukawa, Yuji; Hayashi, Yoshihito
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	45
Pages of publication	17703 - 17710
a	14.4163 ± 0.0003 Å
b	24.0448 ± 0.0005 Å
c	13.6611 ± 0.0003 Å
α	90°
β	116.857 ± 0.001°
γ	90°
Cell volume	4224.66 ± 0.16 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0518
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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