Crystallography Open Database

Information card for entry 4130511

Preview

Coordinates	4130511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Al P
Calculated formula	C21 H24 Al P
SMILES	c1(ccccc1)[Al]([P](C)(C)C)(c1ccccc1)c1ccccc1
Title of publication	End of Frustration: Catalytic Precision Polymerization with Highly Interacting Lewis Pairs.
Authors of publication	Knaus, Maximilian G. M.; Giuman, Marco M.; Pöthig, Alexander; Rieger, Bernhard
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	24
Pages of publication	7776 - 7781
a	12.0529 ± 0.001 Å
b	12.0529 ± 0.001 Å
c	7.4996 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	943.52 ± 0.14 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	4
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.092
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
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
240920 (current)	2019-11-25	cif/ Adding structures of 4130511 via cif-deposit CGI script.	4130511.cif