Crystallography Open Database

Information card for entry 4089595

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Coordinates	4089595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C103 H127 Al4 B12 O48
Calculated formula	C103 H127 Al4 B12 O48
Title of publication	A Tris(triphenylphosphine)aluminum Ambiphilic Precatalyst for the Reduction of Carbon Dioxide with Catecholborane
Authors of publication	Courtemanche, Marc-André; Larouche, Jérémie; Légaré, Marc-André; Bi, Wenhua; Maron, Laurent; Fontaine, Frédéric-Georges
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	22
Pages of publication	6804
a	12.4996 ± 0.0001 Å
b	13.9779 ± 0.0002 Å
c	16.8699 ± 0.0002 Å
α	95.104 ± 0.001°
β	96.631 ± 0.001°
γ	90.869 ± 0.001°
Cell volume	2915.19 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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