Crystallography Open Database

Information card for entry 7024325

Preview

Coordinates	7024325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H58 Cl Li N10 O3
Calculated formula	C36 H58 Cl Li N10 O3
Title of publication	New achiral and chiral NNE heteroscorpionate ligands. Synthesis of homoleptic lithium complexes as well as halide and alkyl scandium and yttrium complexes.
Authors of publication	Otero, Antonio; Lara-Sánchez, Agustín; Fernández-Baeza, Juan; Martínez-Caballero, Emilia; Márquez-Segovia, Isabel; Alonso-Moreno, Carlos; Sánchez-Barba, Luis F; Rodríguez, Ana M; López-Solera, Isabel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	3
Pages of publication	930 - 940
a	9.4196 ± 0.0012 Å
b	10.6997 ± 0.0013 Å
c	11.0103 ± 0.0014 Å
α	66.101 ± 0.007°
β	79.562 ± 0.008°
γ	82.866 ± 0.007°
Cell volume	996.2 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1251
Residual factor for significantly intense reflections	0.0646
Weighted residual factors for significantly intense reflections	0.1663
Weighted residual factors for all reflections included in the refinement	0.2023
Goodness-of-fit parameter for all reflections included in the refinement	0.985
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
179948 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/43.	7024325.cif
92402	2014-01-12	cif/ Adding structures of 7024323, 7024324, 7024325 via cif-deposit CGI script.	7024325.cif