Crystallography Open Database

Information card for entry 4062621

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Coordinates	4062621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H66 N3 Sc
Calculated formula	C40 H66 N3 Sc
SMILES	[Sc]1([N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)(NC(C)(C)C)C
Title of publication	β-Diketiminato Scandium Chemistry: Synthesis, Characterization, and Thermal Behavior of Primary Amido Alkyl Derivatives
Authors of publication	Knight, L.; Piers, W. E.; Fleurat-Lessard, P.; Parvez, M.; McDonald, R.
Journal of publication	Organometallics
Year of publication	2004
Journal volume	23
Pages of publication	2087 - 2094
a	11.2559 ± 0.0008 Å
b	12.449 ± 0.0009 Å
c	15.4106 ± 0.0011 Å
α	88.2825 ± 0.0014°
β	89.3523 ± 0.0015°
γ	65.4512 ± 0.0015°
Cell volume	1963.3 ± 0.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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