Crystallography Open Database

Information card for entry 7026762

Preview

Coordinates	7026762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H40 N9 O12.5 S2 Zn2
Calculated formula	C22 H35 N9 O12.5 S2 Zn2
Title of publication	Structural, MALDI-TOF-MS, magnetic and spectroscopic studies of new dinuclear copper(II), cobalt(II) and zinc(II) complexes containing a biomimicking μ-OH bridge.
Authors of publication	Núñez, Cristina; Bastida, Rufina; Macías, Alejandro; Valencia, Laura; Neuman, Nicolás I; Rizzi, Alberto C.; Brondino, Carlos D.; González, Pablo J; Capelo, José Luis; Lodeiro, Carlos
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	48
Pages of publication	11654 - 11663
a	17.0556 ± 0.001 Å
b	21.0516 ± 0.0008 Å
c	9.1488 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3284.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1106
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1289
Weighted residual factors for all reflections included in the refinement	0.1608
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7026762.cif
93594	2014-01-13	cif/ Adding structures of 7026762, 7026763 via cif-deposit CGI script.	7026762.cif