Crystallography Open Database

Information card for entry 7040749

Preview

Coordinates	7040749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H13 Co N S2
Calculated formula	C12 H13 Co N S2
Title of publication	Polymeric cobalt(ii) thiolato complexes - syntheses, structures and properties of [Co(SMes)2] and [Co(SPh)2NH3].
Authors of publication	Eichhöfer, Andreas; Buth, Gernot
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	43
Pages of publication	17382 - 17391
a	25.923 ± 0.005 Å
b	6.9847 ± 0.0014 Å
c	7.2197 ± 0.0014 Å
α	90°
β	97.46 ± 0.03°
γ	90°
Cell volume	1296.2 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1306
Weighted residual factors for all reflections included in the refinement	0.1308
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
190197 (current)	2017-01-09	cif/ Updating files of 7040748, 7040749, 7040750 Original log message: Adding full bibliography for 7040748--7040750.cif.	7040749.cif
188191	2016-11-08	cif/ Updating files of 7040748, 7040749, 7040750 Original log message: Adding full bibliography for 7040748--7040750.cif.	7040749.cif
186816	2016-09-28	cif/ Adding structures of 7040748, 7040749, 7040750 via cif-deposit CGI script.	7040749.cif