Crystallography Open Database

Information card for entry 1548485

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Coordinates	1548485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H52 F6 Mn2 N4 O12 S2
Calculated formula	C53 H52 F6 Mn2 N4 O12 S2
Title of publication	Photo-activation of Single Molecule Magnet Behavior in a Manganese-based Complex
Authors of publication	Ahmed Fetoh; Goulven Cosquer; Masakazu Morimoto; Masahiro Irie; Ola El-Gammal; Gaber Abu El-Reash; Brian K. Breedlove; Masahiro Yamashita
Journal of publication	Scientific Reports
Year of publication	2016
Journal volume	6
Pages of publication	23785
a	6.5329 ± 0.0008 Å
b	26.757 ± 0.004 Å
c	30.62 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5352.4 ± 1.2 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P 21 c n
Hall space group symbol	P -2n 2a
Residual factor for all reflections	0.1261
Residual factor for significantly intense reflections	0.0745
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1158
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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