Crystallography Open Database

Information card for entry 4084273

Preview

Coordinates	4084273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H33 Al N2
Calculated formula	C33 H33 Al N2
SMILES	[AlH2]1n2c(C(=c3[n]1c(cc3)c1c(cc(cc1C)C)C)c1ccccc1)ccc2c1c(cc(cc1C)C)C
Title of publication	Mono- and Bimetallic Aluminum Alkyl, Aryl, and Hydride Complexes of a Bulky Dipyrromethene Ligand
Authors of publication	Gianopoulos, Christopher G.; Kirschbaum, Kristin; Mason, Mark R.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	17
Pages of publication	4503
a	11.0556 ± 0.0001 Å
b	17.8662 ± 0.0004 Å
c	14.0256 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2770.36 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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