Crystallography Open Database

Information card for entry 4112790

Preview

Coordinates	4112790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C159 H218 B2 N4 O6.5 Si2 Y2
Calculated formula	C154 H208 B2 N4 O6 Si2 Y2
SMILES	[Y]1([O]2CCCC2)([O]2CCCC2)([O]2CCCC2)([N](c2c(cccc2C(C)C)C(C)C)=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)C[Si](C)(C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C1CCCCC1
Title of publication	One Ligand Fits All: Cationic Mono(amidinate) Alkyl Catalysts over the Full Size Range of the Group 3 and Lanthanide Metals
Authors of publication	Sergio Bambirra; Marco W. Bouwkamp; Auke Meetsma; Bart Hessen
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	9182 - 9183
a	13.3902 ± 0.0006 Å
b	22.711 ± 0.001 Å
c	25.732 ± 0.001 Å
α	75.174 ± 0.001°
β	85.179 ± 0.001°
γ	74.6 ± 0.001°
Cell volume	7292 ± 0.5 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1791
Residual factor for significantly intense reflections	0.0807
Weighted residual factors for significantly intense reflections	0.1702
Weighted residual factors for all reflections included in the refinement	0.199
Goodness-of-fit parameter for all reflections included in the refinement	0.902
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
178898 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/27.	4112790.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112790.cif
65205	2012-09-05	cif/ Adding structures of 4112790 via cif-deposit CGI script.	4112790.cif