Crystallography Open Database

Information card for entry 7040750

Preview

Coordinates	7040750.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Co S2
Calculated formula	C18 H22 Co 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	16.7784 ± 0.0008 Å
b	16.7784 ± 0.0008 Å
c	6.8141 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1918.27 ± 0.19 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.0925
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7040750.cif
188191	2016-11-08	cif/ Updating files of 7040748, 7040749, 7040750 Original log message: Adding full bibliography for 7040748--7040750.cif.	7040750.cif
186816	2016-09-28	cif/ Adding structures of 7040748, 7040749, 7040750 via cif-deposit CGI script.	7040750.cif