Crystallography Open Database

Information card for entry 1547844

Preview

Coordinates	1547844.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Co(dmso)6](BPh4)2
Formula	C60 H76 B2 Co O6 S6
Calculated formula	C60 H76 B2 Co O6 S6
Title of publication	Magneto-structural correlation of hexakis-dmso cobalt( <scp>ii</scp> ) complex
Authors of publication	Sakiyama, Hiroshi; Sudo, Reiji; Abiko, Takaaki; Yoshioka, Daisuke; Mitsuhashi, Ryoji; Omote, Masataka; Mikuriya, Masahiro; Yoshitake, Megumi; Koikawa, Masayuki
Journal of publication	Dalton Transactions
Year of publication	2017
Journal volume	46
Journal issue	46
Pages of publication	16306 - 16314
a	12.7254 ± 0.001 Å
b	12.9133 ± 0.0011 Å
c	12.9402 ± 0.001 Å
α	62.081 ± 0.001°
β	62.803 ± 0.001°
γ	89.87 ± 0.001°
Cell volume	1609.4 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1048
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1526
Weighted residual factors for all reflections included in the refinement	0.183
Goodness-of-fit parameter for all reflections included in the refinement	0.949
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1547844.cif
202459	2017-11-01	cif/ Adding structures of 1547844 via cif-deposit CGI script.	1547844.cif