Crystallography Open Database

Information card for entry 4307620

Preview

Coordinates	4307620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H84 Li2 N16 O4
Calculated formula	C50 H84 Li2 N16 O4
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	22.883 ± 0.006 Å
b	11.983 ± 0.003 Å
c	21.052 ± 0.005 Å
α	90°
β	102.064 ± 0.007°
γ	90°
Cell volume	5645 ± 2 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.155
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1775
Weighted residual factors for all reflections included in the refinement	0.2225
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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.	4307620.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307620.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307620.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307620.cif