Crystallography Open Database

Information card for entry 7701140

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Coordinates	7701140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 Br Fe
Calculated formula	C20 H15 Br 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	10.3319 ± 0.001 Å
b	7.7884 ± 0.0007 Å
c	37.581 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3024.1 ± 0.5 Å³
Cell temperature	125 ± 0.1 K
Ambient diffraction temperature	125 ± 0.1 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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