Crystallography Open Database

Information card for entry 4068104

Preview

Coordinates	4068104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H74 N3 O Si2 Sm
Calculated formula	C46 H66 N3 O Si2 Sm
Title of publication	Synthesis of Dianionic β-Diketiminate Lanthanide Amides L′LnN(SiMe3)2(THF) by Deprotonation of the β-Diketiminate Ligand L (L = {[(2,6-iPr2C6H3)NC(CH3)]2CH}−) and the Transformation with [HNEt3][BPh4] to the Cationic Samarium Amide [LSmN(SiMe3)2][BPh4]
Authors of publication	Liu, Peng; Zhang, Yong; Yao, Yingming; Shen, Qi
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	3
Pages of publication	1017
a	11.7896 ± 0.0012 Å
b	18.507 ± 0.002 Å
c	21.74 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4743.5 ± 1 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178571 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/81.	4068104.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068104.cif
38083	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4068101, 4068102, 4068103, 4068104, 4068105, 4068106, 4068107 via cif-deposit CGI script.	4068104.cif