Crystallography Open Database

Information card for entry 4510955

Preview

Coordinates	4510955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Cu3 F6 N12 O8 S2
Calculated formula	C20 H24 Cu3 F6 N12 O8 S2
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	20.1679 ± 0.0015 Å
b	14.2407 ± 0.001 Å
c	12.0331 ± 0.0009 Å
α	90°
β	97.997 ± 0.001°
γ	90°
Cell volume	3422.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0737
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0913
Weighted residual factors for all reflections included in the refinement	0.104
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179656 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/09.	4510955.cif
114446	2014-05-24	cif/ Adding structures of 4510955 via cif-deposit CGI script.	4510955.cif