Crystallography Open Database

Information card for entry 4307924

Preview

Coordinates	4307924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H42 Cl4 Cu2 N12 O20
Calculated formula	C25 H42 Cl4 Cu2 N12 O20
Title of publication	Oligonuclear Copper Complexes of a Bioinspired Pyrazolate-Bridging Ligand: Synthesis, Structures, and Equilibria in Solution
Authors of publication	Angelina Prokofieva; Alexander I. Prikhod'ko; Eva Anna Enyedy; Etelka Farkas; Walter Maringgele; Serhiy Demeshko; Sebastian Dechert; Franc Meyer
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4298 - 4307
a	18.1999 ± 0.0008 Å
b	17.0313 ± 0.0005 Å
c	26.7503 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	8291.7 ± 0.5 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.11
Weighted residual factors for all reflections included in the refinement	0.1211
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179117 (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 4/30/79.	4307924.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307924.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307924.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307924.cif