Crystallography Open Database

Information card for entry 4324658

Preview

Coordinates	4324658.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu4(O)(C7H4N3O)4(CH3COO)2].1/4H2O
Formula	C32 H22.5 Cu4 N12 O9.25
Calculated formula	C32 H22.5 Cu4 N12 O9.25
Title of publication	Trinuclear, Tetranuclear, and Polymeric CuII Complexes from the First Use of 2-Pyridylcyanoxime in Transition Metal Chemistry: Synthetic, Structural, and Magnetic Studies
Authors of publication	Albert Escuer; Gina Vlahopoulou; Spyros P. Perlepes; Franz A. Mautner
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	2468 - 2478
a	15.875 ± 0.003 Å
b	25.921 ± 0.005 Å
c	17.456 ± 0.004 Å
α	90°
β	94.71 ± 0.03°
γ	90°
Cell volume	7159 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for all reflections	0.1231
Weighted residual factors for all reflections included in the refinement	0.1185
Goodness-of-fit parameter for all reflections	1.158
Goodness-of-fit parameter for all reflections included in the refinement	1.205
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
179349 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/46.	4324658.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324658.cif
42862	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4324658 via cif-deposit CGI script.	4324658.cif