Crystallography Open Database

Information card for entry 7701134

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Coordinates	7701134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H24 Fe2
Calculated formula	C30 H24 Fe2
Title of publication	Ferrocenyl naphthalenes: substituent- and substitution pattern-depending charge transfer studies.
Authors of publication	Preuß, Andrea; Korb, Marcus; Miesel, Dominique; Rüffer, Tobias; Hildebrandt, Alexander; Lang, Heinrich
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	38
Pages of publication	14418 - 14432
a	12.155 ± 0.0004 Å
b	12.9938 ± 0.0003 Å
c	13.7119 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2165.65 ± 0.11 Å³
Cell temperature	129.95 ± 0.1 K
Ambient diffraction temperature	129.95 ± 0.1 K
Number of distinct elements	3
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0689
Weighted residual factors for all reflections included in the refinement	0.0715
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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