Crystallography Open Database

Information card for entry 7105778

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Coordinates	7105778.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H57 B Cu F4 Fe N5
Calculated formula	C77 H57 B Cu F4 Fe N5
Title of publication	Tuning-up and Driving a Redox-active Rotor
Authors of publication	Shoko Kume; Hiroshi Nishihara
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	415
a	10.747 ± 0.005 Å
b	11.762 ± 0.005 Å
c	12.896 ± 0.005 Å
α	75.128 ± 0.005°
β	70.329 ± 0.005°
γ	86.267 ± 0.005°
Cell volume	1483.2 ± 1.1 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	7
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for significantly intense reflections	0.052
Weighted residual factors for all reflections included in the refinement	0.1426
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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