Crystallography Open Database

Information card for entry 7028236

Preview

Coordinates	7028236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 Cu3 O20 Rb3
Calculated formula	C9 H13 Cu3 O20 Rb3
Title of publication	The coordination chemistry of tartronic acid with copper: magnetic studies of a quasi-equilateral tricopper triangle.
Authors of publication	Pascu, Gabriel; Deville, Claire; Clifford, Sarah E.; Guenée, Laure; Besnard, Céline; Krämer, Karl W; Liu, Shi-Xia; Decurtins, Silvio; Tuna, Floriana; McInnes, Eric J. L.; Winpenny, Richard E. P.; Williams, Alan F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	2
Pages of publication	656 - 662
a	9.7676 ± 0.0004 Å
b	8.5338 ± 0.0003 Å
c	25.7855 ± 0.0007 Å
α	90°
β	94.527 ± 0.003°
γ	90°
Cell volume	2142.64 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
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	0.0455
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1163
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.291
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179988 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/82.	7028236.cif
105256	2014-03-12	cif/ Adding structures of 7028235, 7028236, 7028237 via cif-deposit CGI script.	7028236.cif