Crystallography Open Database

Information card for entry 4078562

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Coordinates	4078562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H31 B10 Fe
Calculated formula	C21 H31 B10 Fe
Title of publication	Formal Insertion ofo-Carborynes into Ferrocenyl C‒H Bonds: A Simple Access too-Carboranylferrocenes
Authors of publication	Wang, Sunewang Rixin; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	12
Pages of publication	4544
a	11.3004 ± 0.0011 Å
b	9.4366 ± 0.0009 Å
c	23.522 ± 0.003 Å
α	90°
β	107.771 ± 0.002°
γ	90°
Cell volume	2388.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0761
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1542
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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