Crystallography Open Database

Information card for entry 7701132

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Coordinates	7701132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 Fe
Calculated formula	C30 H22 Fe
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	12.8866 ± 0.0008 Å
b	7.5244 ± 0.0004 Å
c	21.0448 ± 0.0017 Å
α	90°
β	101.335 ± 0.007°
γ	90°
Cell volume	2000.8 ± 0.2 Å³
Cell temperature	130 ± 0.14 K
Ambient diffraction temperature	130 ± 0.14 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.102
Residual factor for significantly intense reflections	0.0751
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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