Crystallography Open Database

Information card for entry 4086480

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Coordinates	4086480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H21 Cl3 Fe2 N2 O6
Calculated formula	C27 H21 Cl3 Fe2 N2 O6
Title of publication	Nucleophilic Aromatic Substitution Reactions for the Synthesis of Ferrocenyl Aryl Ethers
Authors of publication	Korb, Marcus; Swarts, Pieter J.; Miesel, Dominique; Hildebrandt, Alexander; Swarts, Jannie C.; Lang, Heinrich
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	9
Pages of publication	1287
a	19.9437 ± 0.0009 Å
b	9.7162 ± 0.0005 Å
c	28.3252 ± 0.0014 Å
α	90°
β	94.255 ± 0.004°
γ	90°
Cell volume	5473.6 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
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	0.0462
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0857
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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