Crystallography Open Database

Information card for entry 7006748

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Coordinates	7006748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H62 Al N3
Calculated formula	C42 H62 Al N3
SMILES	[Al]1([N](c2c(cccc2C(C)C)C(C)C)=C(N(c2c(cccc2C(C)C)C(C)C)C(=C)N1c1c(cccc1C(C)C)C(C)C)C)(C)C
Title of publication	Neutral and cationic aluminium complexes of a sterically demanding N-imidoylamidine ligand.
Authors of publication	Masuda, Jason D.; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	17
Pages of publication	2089 - 2097
a	10.503 ± 0.006 Å
b	21.773 ± 0.013 Å
c	18.101 ± 0.01 Å
α	90°
β	105.68 ± 0.01°
γ	90°
Cell volume	3985 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0828
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	0.803
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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