Crystallography Open Database

Information card for entry 4082652

Preview

Coordinates	4082652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H41 Al2 P
Calculated formula	C30 H41 Al2 P
SMILES	C1(=C/c2ccccc2)\[P](c2c(C)cc(C)cc2C)(c2c(C)cc(C)cc2C)[Al]([H][Al]1(C)C)(C)C
Title of publication	Al/P-Based Frustrated Lewis Pairs: Limitations of Their Synthesis by Hydroalumination and Formation of Dialkylaluminum Hydride Adducts
Authors of publication	Uhl, Werner; Appelt, Christian; Backs, Jana; Westenberg, Hauke; Wollschläger, Agnes; Tannert, Jens
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	5
Pages of publication	1212
a	9.5503 ± 0.0013 Å
b	10.2243 ± 0.0014 Å
c	16.075 ± 0.002 Å
α	73.34 ± 0.004°
β	86.441 ± 0.004°
γ	75.193 ± 0.004°
Cell volume	1453.7 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1016
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.1773
Weighted residual factors for all reflections included in the refinement	0.1941
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178715 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/26.	4082652.cif
106757	2014-03-16	cif/ Adding structures of 4082652 via cif-deposit CGI script.	4082652.cif