Crystallography Open Database

Information card for entry 1551732

Preview

Coordinates	1551732.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H66 Cl10 Co2 N6
Calculated formula	C24 H66 Cl10 Co2 N6
SMILES	C(CCCCCCC[NH3+])[NH3+].[NH3+]CCCCCCCC[NH3+].Cl[Co](Cl)([Cl-])[Cl-].[Cl-].C(CCCCCCC[NH3+])[NH3+].Cl[Co](Cl)([Cl-])[Cl-].[Cl-]
Title of publication	Synthesis and Crystal Structure of a New Organic-Inorganic Hybrid Compound: Tris(1,8-diammoniumoctane)bis(tetrachlorocobaltate) dichloride
Authors of publication	KESSENTINI, Abir; BELHOUCHET, Mohamed; MHIRI, Tahar
Journal of publication	X-ray Structure Analysis Online
Year of publication	2011
Journal volume	27
Pages of publication	31
a	12.7153 ± 0.0014 Å
b	17.5474 ± 0.0011 Å
c	10.3409 ± 0.0008 Å
α	90°
β	91.582 ± 0.007°
γ	90°
Cell volume	2306.4 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0956
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1
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
216344 (current)	2019-06-20	cif/ Adding structures of 1551732 via cif-deposit CGI script.	1551732.cif