Crystallography Open Database

Information card for entry 4507206

Preview

Coordinates	4507206.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Cu N8 O8
Calculated formula	C20 H26 Cu N8 O8
SMILES	c1cc[nH][n]1[Cu]([n]1ccc[nH]1)([n]1ccc[nH]1)([n]1ccc[nH]1)(OC(=O)CCC(=O)O)OC(CCC(=O)O)=O
Title of publication	Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion
Authors of publication	Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	1
Pages of publication	126
a	22.429 ± 0.0008 Å
b	22.429 ± 0.0008 Å
c	10.2923 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5177.6 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0421
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179608 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/72.	4507206.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507206.cif
73850	2013-02-21	cif/ Adding structures of 4507206 via cif-deposit CGI script.	4507206.cif