Crystallography Open Database

Information card for entry 7016825

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Coordinates	7016825.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	RuCp*(C5H5B-CN)
Formula	C28 H47 B N2
Calculated formula	C28 H47 B N2
Title of publication	1-Borabenzonitrile (B-cyanoboratabenzene).
Authors of publication	Cade, Ian A.; Hill, Anthony F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	40
Pages of publication	10563 - 10567
a	9.6193 ± 0.0004 Å
b	9.6193 ± 0.0004 Å
c	30.8153 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2851.37 ± 0.19 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	76
Hermann-Mauguin space group symbol	P 41
Hall space group symbol	P 4w
Residual factor for all reflections	0.0938
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for all reflections	0.1018
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.1018
Goodness-of-fit parameter for all reflections included in the refinement	0.8728
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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