Crystallography Open Database

Information card for entry 4111520

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Coordinates	4111520.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H45 Al N2 O
Calculated formula	C30 H45 Al N2 O
SMILES	[Al]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(C)O
Title of publication	Mononuclear Aluminum Hydroxide for the Design of Well-Defined Homogeneous Catalysts
Authors of publication	Guangcai Bai; Sanjay Singh; Herbert W. Roesky; Mathias Noltemeyer; Hans-Georg Schmidt
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	3449 - 3455
a	9.036 ± 0.003 Å
b	9.763 ± 0.004 Å
c	33.17 ± 0.06 Å
α	90°
β	91.4 ± 0.06°
γ	90°
Cell volume	2925 ± 6 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
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	0.0846
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.2231
Weighted residual factors for all reflections included in the refinement	0.2303
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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