Crystallography Open Database

Information card for entry 1565068

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Coordinates	1565068.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H102 Al2 N4 O5 Re
Calculated formula	C76 H102 Al2 N4 O5 Re
Title of publication	Reactions of Aluminium(I) with Transition Metal Carbonyls: Scope, Mechanism and Selectivity of CO Homologation
Authors of publication	Crimmin, Mark Richard; Kong, Richard Y.; Batuecas, Maria
Journal of publication	Chemical Science
Year of publication	2021
a	17.3541 ± 0.0004 Å
b	20.334 ± 0.0005 Å
c	45.6601 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	16112.5 ± 0.9 Å³
Cell temperature	173 ± 0.14 K
Ambient diffraction temperature	173 ± 0.14 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0741
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1482
Weighted residual factors for all reflections included in the refinement	0.1669
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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