Crystallography Open Database

Information card for entry 7021827

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Coordinates	7021827.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H33 B Fe
Calculated formula	C32 H33 B Fe
Title of publication	A molecular 'traffic light': highly selective cyanide sensing in aqueous media by a CpFe(indenyl)-functionalized borane.
Authors of publication	Tirfoin, Remi; Aldridge, Simon
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	36
Pages of publication	12836 - 12839
a	12.18666 ± 0.00005 Å
b	14.6236 ± 0.00006 Å
c	14.43211 ± 0.00006 Å
α	90°
β	91.0308 ± 0.0004°
γ	90°
Cell volume	2571.57 ± 0.018 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0475
Residual factor for significantly intense reflections	0.046
Weighted residual factors for all reflections	0.0897
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0897
Goodness-of-fit parameter for all reflections included in the refinement	0.9278
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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