Crystallography Open Database

Information card for entry 4112793

Preview

Coordinates	4112793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H102 B Gd N2 O4 Si
Calculated formula	C75 H102 B Gd N2 O4 Si
SMILES	[Gd]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.O1CCCC1
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	21.267 ± 0.002 Å
b	11.7644 ± 0.0009 Å
c	27.388 ± 0.002 Å
α	90°
β	92.317 ± 0.001°
γ	90°
Cell volume	6846.7 ± 1 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
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	0.1317
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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.	4112793.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112793.cif
65208	2012-09-05	cif/ Adding structures of 4112793 via cif-deposit CGI script.	4112793.cif