Crystallography Open Database

Information card for entry 7121842

Preview

Coordinates	7121842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H37 F12 N5 S Sb2
Calculated formula	C27 H37 F12 N5 S Sb2
Title of publication	Unveiling the redox-active character of imidazolin-2-thiones derived from amino-substituted N-heterocyclic carbenes.
Authors of publication	Ruamps, Mirko; Bastin, Stéphanie; Rechignat, Lionel; Sournia-Saquet, Alix; Valyaev, Dmitry A.; Mouesca, Jean-Marie; Lugan, Noël; Maurel, Vincent; César, Vincent
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	55
Pages of publication	7653 - 7656
a	11.9044 ± 0.0005 Å
b	12.9628 ± 0.0006 Å
c	13.2255 ± 0.0006 Å
α	60.88 ± 0.001°
β	78.818 ± 0.001°
γ	80.295 ± 0.001°
Cell volume	1742.51 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0203
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0503
Weighted residual factors for all reflections included in the refinement	0.0515
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
228061 (current)	2019-11-17	cif/ Updating files of 7121841, 7121842 Original log message: Adding full bibliography for 7121841--7121842.cif.	7121842.cif
208395	2018-06-15	cif/ Adding structures of 7121841, 7121842 via cif-deposit CGI script.	7121842.cif