Crystallography Open Database

Information card for entry 7707698

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Coordinates	7707698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H108 Al4 Cl8 N8 O8
Calculated formula	C98 H108 Al4 Cl8 N8 O8
Title of publication	Cycloaddition of carbon dioxide to epoxides by highly active constrained aluminum chloride complexes.
Authors of publication	Laiwattanapaisarn, Nattiya; Virachotikul, Arnut; Phomphrai, Khamphee
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	32
Pages of publication	11039 - 11048
a	17.7139 ± 0.0013 Å
b	10.2393 ± 0.0008 Å
c	25.3441 ± 0.0019 Å
α	90°
β	97.279 ± 0.003°
γ	90°
Cell volume	4559.8 ± 0.6 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0817
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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