Crystallography Open Database

Information card for entry 4112787

Preview

Coordinates	4112787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H69 N2 O Sc Si2
Calculated formula	C43 H69 N2 O Sc Si2
SMILES	[Sc]1([O]2CCCC2)([N](c2c(cccc2C(C)C)C(C)C)=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)(C[Si](C)(C)C)C[Si](C)(C)C
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	11.371 ± 0.001 Å
b	19.975 ± 0.002 Å
c	19.02 ± 0.002 Å
α	90°
β	94.196 ± 0.002°
γ	90°
Cell volume	4308.5 ± 0.7 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4112787.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112787.cif
65202	2012-09-05	cif/ Adding structures of 4112787 via cif-deposit CGI script.	4112787.cif