Crystallography Open Database

Information card for entry 2238948

Preview

Coordinates	2238948.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetraaquabis(piperazin-1-ium)cobalt(II) bis(sulfate) dihydrate
Formula	C8 H34 Co N4 O14 S2
Calculated formula	C8 H34 Co N4 O14 S2
SMILES	S(=O)(=O)([O-])[O-].C1C[NH2+]CC[NH]1[Co]([OH2])([OH2])([NH]1CC[NH2+]CC1)([OH2])[OH2].O.S(=O)(=O)([O-])[O-].O
Title of publication	Tetraaquabis(piperazin-1-ium)cobalt(II) bis(sulfate) dihydrate
Authors of publication	Sahbani, Thameur; Smirani Sta, Wajda; Rzaigui, Mohamed
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	12
Pages of publication	m649 - m650
a	12.187 ± 0.002 Å
b	12.98 ± 0.002 Å
c	13.437 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2125.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.099
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1075
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.56085 Å
Diffraction radiation type	AgKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301806 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure.	2238948.cif
176798	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238948.cif
92403	2014-01-12	cif/ Adding structures of 2238948 via cif-deposit CGI script.	2238948.cif