Crystallography Open Database

Information card for entry 7206699

7206698 << 7206699 >> 7206700

Preview

Coordinates	7206699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H32 Br2 Co O10
Calculated formula	C12 H32 Br2 Co O10
SMILES	C1OCCOC1.C1OCCOC1.[OH2][Co]([OH2])(Br)([OH2])([OH2])Br.O1CCOCC1
Title of publication	Solvent-mediated crystal-to-crystal transformation within the CoBr2(1,4-dioxane)m(H2O)n family (m = 2, 3; n = 0, 2, 4) from 2D to 1D, and 0D
Authors of publication	Duan, Zhiming; Zhang, Yan; Zhang, Bin; Zhu, Daoben
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	22
Pages of publication	6801
a	6.4597 ± 0.0016 Å
b	9.033 ± 0.002 Å
c	9.738 ± 0.003 Å
α	105.54 ± 0.004°
β	98.341 ± 0.003°
γ	92.69 ± 0.003°
Cell volume	539.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0398
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
180397 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/66.	7206699.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206699.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206699.cif
29987	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7206695, 7206696, 7206697, 7206698, 7206699 via cif-deposit CGI script.	7206699.cif