Crystallography Open Database

Information card for entry 1518708

Preview

Coordinates	1518708.cif

Structure parameters

Formula	C56 H57 Cl3 La N15 O12
Calculated formula	C56 Cl3 La N15 O12
SMILES	[La]123456([N](Cc7n(c8ccccc8[n]17)C)(Cc1n(c7ccccc7[n]21)C)Cc1n(c2ccccc2[n]31)C)[N](Cc1n(c2ccccc2[n]41)C)(Cc1n(c2ccccc2[n]51)C)Cc1n(c2ccccc2[n]61)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC
Title of publication	Preparation and characterization of lanthanides(III) complexes with polybenzimidazole ligands. Crystal structure of bis[tris(N-methyl-1-benzimidazol-2-yl)-amine]lanthanum(III) perchlorate monoacetonitrile solvate
Authors of publication	Liu Jiacheng; Song Zhigang; Wang Liufang; Zhuang Jinzhong; Huang Xiaoying
Journal of publication	Acta Chemica Scandinavica
Year of publication	1999
Journal volume	53
Pages of publication	90 - 94
a	12.882 ± 0.004 Å
b	21.1 ± 0.006 Å
c	22.706 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	6172 ± 3 Å³
Ambient diffraction temperature	293 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 significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.065
Diffraction radiation probe	x-ray
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518708.cif
131576	2015-02-08	cif/ Adding structures of 1518708 via cif-deposit CGI script.	1518708.cif