Crystallography Open Database

Information card for entry 7042666

Preview

Coordinates	7042666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 Br4 Hg2 N4 O S Se
Calculated formula	C34 H36 Br4 Hg2 N4 O S Se
Title of publication	Hg(II) and Pd(II) complexes with a new selenoether bridged biscarbene ligand: Efficient mono- and bis-arylation of methyl acrylate with a pincer biscarbene Pd(II) precatalyst
Authors of publication	Dhiman, Rishu; Prashanth, Billa; Bawari, Deependra; Mandal, Ushnish; Verma, Aditya; Roychoudhury, Angshuman; Singh, Sanjay
Journal of publication	Dalton Trans.
Year of publication	2017
a	19.153 ± 0.003 Å
b	19.153 ± 0.003 Å
c	19.153 ± 0.003 Å
α	116.877 ± 0.001°
β	116.877 ± 0.001°
γ	116.877 ± 0.001°
Cell volume	3158.6 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	146
Hermann-Mauguin space group symbol	R 3:r
Hall space group symbol	P 3*
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
195338 (current)	2017-04-12	cif/ Adding structures of 7042666, 7042667, 7042668, 7042669, 7042670, 7042671, 7042672 via cif-deposit CGI script.	7042666.cif