Crystallography Open Database

Information card for entry 7031539

Preview

Coordinates	7031539.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H17 Co N O9 S
Calculated formula	C7 H17 Co N O9 S
SMILES	[Co]1([OH]CCc2[n]1cccc2)([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])[O-]
Title of publication	Retention of single crystals of two Co(ii) complexes during chemical reactions and rearrangement.
Authors of publication	Mobin, Shaikh M.; Mohammad, Akbar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	34
Pages of publication	13032
a	9.3343 ± 0.0004 Å
b	6.937 ± 0.0002 Å
c	10.574 ± 0.0004 Å
α	90°
β	92.156 ± 0.004°
γ	90°
Cell volume	684.2 ± 0.04 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0279
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.109
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
180021 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/15.	7031539.cif
121683	2014-08-08	cif/ Updating files of 7031539, 7031540, 7031541, 7031542, 7031543 Original log message: Adding full bibliography for 7031539--7031543.cif.	7031539.cif
118928	2014-07-03	cif/ Adding structures of 7031539, 7031540, 7031541, 7031542, 7031543 via cif-deposit CGI script.	7031539.cif