Crystallography Open Database

Information card for entry 4307619

Preview

Coordinates	4307619.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H37 Li N6 O
Calculated formula	C22 H37.6 Li N6 O
Title of publication	Lithium, Titanium, and Zirconium Complexes with Novel Amidinate Scorpionate Ligands
Authors of publication	Antonio Otero; Juan Fernández-Baeza; Antonio Antiñolo; Juan Tejeda; Agustín Lara-Sánchez; Luis F. Sánchez-Barba; Isabel López-Solera; Ana M. Rodríguez
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1760 - 1770
a	10.073 ± 0.004 Å
b	10.445 ± 0.004 Å
c	13.078 ± 0.006 Å
α	79.548 ± 0.009°
β	68.95 ± 0.008°
γ	68.878 ± 0.008°
Cell volume	1195.7 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.3475
Residual factor for significantly intense reflections	0.0981
Weighted residual factors for significantly intense reflections	0.1883
Weighted residual factors for all reflections included in the refinement	0.3009
Goodness-of-fit parameter for all reflections included in the refinement	0.874
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179114 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/76.	4307619.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307619.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307619.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307619.cif