Crystallography Open Database

Information card for entry 4313467

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Coordinates	4313467.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pyridylbenzimidazolium-Yttrium-Pyridylbenzimidazolate
Chemical name	(2-(Pyridyl-)Benzimidazolium)-Tetra-(2-(Pyridyl-)Benzimidazolate-Yttrium(III)
Formula	C60 H42 N15 Y
Calculated formula	C60 H42 N15 Y
Title of publication	Two New Groups of Homoleptic Rare Earth Pyridylbenzimidazolates: (NC12H8(NH)2)[Ln(N3C12H8)4] with Ln = Y, Tb, Yb, and [Ln(N3C12H8)2(N3C12H9)2][Ln(N3C12H8)4](N3C12H9)2 with Ln = La, Sm, Eu
Authors of publication	Klaus Müller-Buschbaum; Catharina C. Quitmann
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	2742 - 2750
a	16.8491 ± 0.0013 Å
b	16.8491 ± 0.0013 Å
c	37.35 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	10603.4 ± 1.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.1267
Residual factor for significantly intense reflections	0.0521
Weighted residual factors for significantly intense reflections	0.0826
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	0.853
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
179193 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/34.	4313467.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313467.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313467.cif
6536	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313467 via cif-deposit CGI script.	4313467.cif