Crystallography Open Database

Information card for entry 7045820

Preview

Coordinates	7045820.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H31 Br2 Hg N
Calculated formula	C20 H31 Br2 Hg N
Title of publication	Neutral and cationic cyclic (alkyl)(amino)carbene mercury [cAAC-Hg(ii)] complexes: scope of hydroamination of alkynes with organomercury compounds.
Authors of publication	Bawari, Deependra; Goswami, Bhupendra; R, Sabari V; Thakur, Sandeep Kumar; Varun Tej, R. V.; Roy Choudhury, Angshuman; Singh, Sanjay
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	18
Pages of publication	6274 - 6278
a	9.4766 ± 0.0004 Å
b	14.5595 ± 0.0007 Å
c	16.107 ± 0.0007 Å
α	90°
β	91.54 ± 0.003°
γ	90°
Cell volume	2221.55 ± 0.17 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0996
Goodness-of-fit parameter for all reflections included in the refinement	0.96
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
229874 (current)	2019-11-17	cif/ Updating files of 7045820, 7045821, 7045822, 7045823, 7045824 Original log message: Adding full bibliography for 7045820--7045824.cif.	7045820.cif
206878	2018-03-10	cif/ Adding structures of 7045820, 7045821, 7045822, 7045823, 7045824 via cif-deposit CGI script.	7045820.cif