Crystallography Open Database

Information card for entry 7712839

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Coordinates	7712839.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4b
Formula	C26 H58 Fe Si8
Calculated formula	C26 H58 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	19.7412 ± 0.0007 Å
b	20.9752 ± 0.0007 Å
c	19.7446 ± 0.0007 Å
α	90°
β	112.42 ± 0.001°
γ	90°
Cell volume	7557.8 ± 0.5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0772
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1287
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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