Crystallography Open Database

Information card for entry 4060232

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Coordinates	4060232.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H8 Fe2 O5
Calculated formula	C17 H8 Fe2 O5
Title of publication	Thermally Reversible Photochemical Haptotropic Rearrangement of Diiron Carbonyl Complexes Bearing a Bridging Acenaphthylene or Aceanthrylene Ligand
Authors of publication	Niibayashi, Shota; Matsubara, Kouki; Haga, Masa-aki; Nagashima, Hideo
Journal of publication	Organometallics
Year of publication	2004
Journal volume	23
Journal issue	4
Pages of publication	635 - 646
a	12.7813 ± 0.001 Å
b	13.8254 ± 0.0008 Å
c	16.7924 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2967.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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