Crystallography Open Database

Information card for entry 2311371

Preview

Coordinates	2311371.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[diaquabis(2,4,6-trimethylbenzoato-κ<i>O</i>)cobalt(II)]-μ-aqua-κ^2^<i>O</i>:<i>O</i>'] dihydrate]
Formula	C20 H32 Co O9
Calculated formula	C20 H32 Co O9
SMILES	[Co]([OH2])([OH2][Co]([OH2])(OC(=O)c1c(C)cc(C)cc1C)([OH2])([OH2])OC(=O)c1c(C)cc(C)cc1C)(OC(=O)c1c(C)cc(C)cc1C)([OH2])OC(=O)c1c(C)cc(C)cc1C.O.O.O.O
Title of publication	Crystal structure of <i>catena</i>-poly[[[di-aqua-bis-(2,4,6-tri-methyl-benzoato-κ<i>O</i>)cobalt(II)]-μ-aqua-κ<sup>2</sup><i>O</i>:<i>O</i>] dihydrate].
Authors of publication	Hökelek, Tuncer; Akduran, Nurcan; Özkaya, Safiye; Necefoğlu, Hacali
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 5
Pages of publication	708 - 712
a	29.5261 ± 0.0005 Å
b	10.1413 ± 0.0002 Å
c	8.0906 ± 0.0002 Å
α	90°
β	91.894 ± 0.004°
γ	90°
Cell volume	2421.27 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0728
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1513
Weighted residual factors for all reflections included in the refinement	0.1662
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
245833 (current)	2019-12-25	cif/ Adding structures of 2311371 via cif-deposit CGI script.	2311371.cif