Crystallography Open Database

Information card for entry 7058647

Preview

Coordinates	7058647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.5 H118.5 Mn6 N6.5 O39 V8
Calculated formula	C57.5 H118.5 Mn6 N6.5 O39 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	13.2975 ± 0.0004 Å
b	19.0223 ± 0.0005 Å
c	20.3933 ± 0.0006 Å
α	81.741 ± 0.001°
β	72.921 ± 0.001°
γ	73.956 ± 0.001°
Cell volume	4727.9 ± 0.2 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0808
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1878
Weighted residual factors for all reflections included in the refinement	0.2015
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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