Crystallography Open Database

Information card for entry 4510956

Preview

Coordinates	4510956.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H8 Cu0.5 F3 N4 O3 S
Calculated formula	C7 H8 Cu0.5 F3 N4 O3 S
Title of publication	Reactions of a Coordination Polymer Based on the Triangular Cluster [Cu3(μ3-OH)(μ-pz)3]2+with Strong Acids. Crystal Structure and Supramolecular Assemblies of New Mono-, Tri-, and Hexanuclear Complexes and Coordination Polymers
Authors of publication	Di Nicola, Corrado; Garau, Federica; Gazzano, Massimo; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio; Pettinari, Riccardo
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	7
Pages of publication	3120
a	8.389 ± 0.001 Å
b	8.824 ± 0.001 Å
c	9.945 ± 0.001 Å
α	111.344 ± 0.002°
β	91.105 ± 0.002°
γ	117.297 ± 0.002°
Cell volume	593.71 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.113
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4510956.cif
114447	2014-05-24	cif/ Adding structures of 4510956 via cif-deposit CGI script.	4510956.cif