Crystallography Open Database

Information card for entry 4308301

Preview

Coordinates	4308301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H43 Cu6 I5 N8 O24 Pr4
Calculated formula	C54 H41 Cu6 I5 N8 O24 Pr4
Title of publication	3D Coordination Framework [Ln4(μ3-OH)2Cu6I5(IN)8(OAc)3] (IN = Isonicotinate): Employing 2D Layers of Lanthanide Wheel Clusters and 1D Chains of Copper Halide Clusters
Authors of publication	Xiaojun Gu; Dongfeng Xue
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	5349 - 5353
a	18.0965 ± 0.0011 Å
b	18.3267 ± 0.0012 Å
c	21.7131 ± 0.0012 Å
α	90°
β	96.159 ± 0.004°
γ	90°
Cell volume	7159.6 ± 0.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1147
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
179121 (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 4/30/83.	4308301.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308301.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308301.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308301.cif