Crystallography Open Database

Information card for entry 4082653

Preview

Coordinates	4082653.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H49 Al2 P
Calculated formula	C50 H49 Al2 P
SMILES	C1(=C/c2ccccc2)\[P](c2c(C)cc(C)cc2C)(c2c(C)cc(C)cc2C)[Al](c2ccccc2)(c2ccccc2)[H][Al]1(c1ccccc1)c1ccccc1
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	21.2253 ± 0.001 Å
b	9.9253 ± 0.0005 Å
c	21.5593 ± 0.0011 Å
α	90°
β	113.127 ± 0.001°
γ	90°
Cell volume	4176.8 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.068
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	4082653.cif
106758	2014-03-16	cif/ Adding structures of 4082653 via cif-deposit CGI script.	4082653.cif