Crystallography Open Database

Information card for entry 7058648

Preview

Coordinates	7058648.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H114 Mn6 N5 O36 V8
Calculated formula	C55.9986 H113.999 Mn6 N5 O36 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	14.2609 ± 0.0003 Å
b	24.8229 ± 0.0005 Å
c	13.5776 ± 0.0003 Å
α	90°
β	117.499 ± 0.001°
γ	90°
Cell volume	4263.39 ± 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	0.075
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.1261
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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