Crystallography Open Database

Information card for entry 7210972

Preview

Coordinates	7210972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 Br2 Cu K2 Li O19 Ru2
Calculated formula	C4 H4 Br2 Cu K2 Li O19 Ru2
Title of publication	Syntheses, structures and magnetic properties of two heterometallic carbonates: K2Li[Cu(H2O)2Ru2(CO3)4X2]·5H2O (X = Cl, Br)
Authors of publication	Jia, Yan-Yan; Liu, Bin; Liu, Xue-Mei; Yang, Jian-Hui
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	39
Pages of publication	7936
a	10.9758 ± 0.0009 Å
b	11.2844 ± 0.001 Å
c	17.2476 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2136.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0303
Residual factor for significantly intense reflections	0.0241
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0632
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180440 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/09.	7210972.cif
90165	2013-11-17	cif/ Adding structures of 7210971, 7210972 via cif-deposit CGI script.	7210972.cif