Crystallography Open Database

Information card for entry 7712842

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Coordinates	7712842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H62 Fe Si8
Calculated formula	C28 H62 Fe Si8
Title of publication	Persilylation of Ferrocene: The Ultimate Discipline in Sterically Overcrowded Metal Complexes
Authors of publication	Rupf, Susanne M.; Sievers, Robin; Riemann, Paulin S.; Reimann, Marc; Kaupp, Martin; Fasting, Dr. Carlo; Malischewski, Moritz
Journal of publication	Dalton Transactions
Year of publication	2023
a	17.4074 ± 0.0006 Å
b	35.0636 ± 0.0012 Å
c	12.7379 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	7774.8 ± 0.4 Å³
Cell temperature	102 K
Ambient diffraction temperature	102 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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