Crystallography Open Database

Information card for entry 7039655

Preview

Coordinates	7039655.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 Cl6 Hg2 N4 Se2
Calculated formula	C30 H44 Cl6 Hg2 N4 Se2
Title of publication	Transition metal mediated formation of dicationic diselenides stabilised by N-heterocyclic carbenes: designed synthesis.
Authors of publication	Yadav, Sangeeta; Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	30
Pages of publication	12015 - 12027
a	10.206 ± 0.003 Å
b	10.945 ± 0.003 Å
c	18.071 ± 0.005 Å
α	79.251 ± 0.001°
β	85.344 ± 0.012°
γ	77.571 ± 0.01°
Cell volume	1934.9 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0797
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1709
Weighted residual factors for all reflections included in the refinement	0.1811
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
211196 (current)	2018-09-27	cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries.	7039655.cif
185329	2016-08-07	cif/ Updating files of 7039650, 7039651, 7039652, 7039653, 7039654, 7039655 Original log message: Adding full bibliography for 7039650--7039655.cif.	7039655.cif
183897	2016-06-24	cif/ Adding structures of 7039650, 7039651, 7039652, 7039653, 7039654, 7039655 via cif-deposit CGI script.	7039655.cif