Crystallography Open Database

Information card for entry 7013857

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Coordinates	7013857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H20 B F4 Fe N
Calculated formula	C14 H20 B F4 Fe N
Title of publication	Synthesis of mono-amino-functionalised ferrocene, ferrocene salts and ferrocenium salts.
Authors of publication	Furtado, Stephen J.; Gott, Andrew L.; McGowan, Patrick C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2004
Journal issue	3
Pages of publication	436 - 441
a	12.8882 ± 0.0002 Å
b	13.101 ± 0.0002 Å
c	20.0636 ± 0.0004 Å
α	74.6948 ± 0.0006°
β	74.7805 ± 0.0006°
γ	70.9655 ± 0.0006°
Cell volume	3030.51 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0514
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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