Crystallography Open Database

Information card for entry 7102813

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Coordinates	7102813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H79 F3 Fe2 N11 O12 S
Calculated formula	C67.5 H75 F3 Fe2 N11 O12.5 S
Title of publication	Self-assembled monolayer electrode of a diiron complex with a phenoxo-based dinucleating ligand: observation of molecular oxygen adsorption/desorption in aqueous media
Authors of publication	Inomata, Tomohiko; Shinozaki, Kazuma; Hayashi, Yuya; Arii, Hidekazu; Funahashi, Yasuhiro; Ozawa, Tomohiro; Masuda, Hideki
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2008
Journal issue	3
Pages of publication	392 - 394
a	23.2374 ± 0.001 Å
b	13.1694 ± 0.0004 Å
c	25.4634 ± 0.001 Å
α	90°
β	112.318 ± 0.0018°
γ	90°
Cell volume	7208.7 ± 0.5 Å³
Cell temperature	173.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.1996
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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