Crystallography Open Database

Information card for entry 7045347

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Coordinates	7045347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 B12 Cl12 Fe N6
Calculated formula	C12 H18 B12 Cl12 Fe N6
Title of publication	New Reactivity at the Silicon Bridge in Sila[1]ferrocenophanes
Authors of publication	Musgrave, Rebecca Alice; Hailes, Rebekah; Schäfer, André; Russell, Andrew David; Gates, Paul Jonathan; Manners, Ian
Journal of publication	Dalton Transactions
Year of publication	2018
a	11.3371 ± 0.0002 Å
b	11.3371 ± 0.0002 Å
c	23.9716 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	2668.28 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	166
Hermann-Mauguin space group symbol	R -3 m
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0281
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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