Crystallography Open Database

Information card for entry 4072157

Preview

Coordinates	4072157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H49 Al N2
Calculated formula	C31 H49 Al N2
SMILES	[Al]1([N](c2c(cccc2C(C)C)C(C)C)=C(C(N1c1c(cccc1C(C)C)C(C)C)(C)C)C)(C)C
Title of publication	Copper(II) Ethylene Polymerization Catalysts: Do They Really Exist?
Authors of publication	Olson, Jeremy A.; Boyd, Ramon; Quail, J. Wilson; Foley, Stephen R.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	20
Pages of publication	5333
a	8.4373 ± 0.0005 Å
b	9.7007 ± 0.0005 Å
c	19.346 ± 0.0011 Å
α	82.033 ± 0.004°
β	80.769 ± 0.003°
γ	69.565 ± 0.003°
Cell volume	1458.71 ± 0.14 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1131
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1552
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
178610 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/21.	4072157.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072157.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072157.cif
44266	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072156, 4072157 via cif-deposit CGI script.	4072157.cif