Crystallography Open Database

Information card for entry 7045822

Preview

Coordinates	7045822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H36 Cl3 Hg N
Calculated formula	C23 H36 Cl3 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	14.5606 ± 0.0012 Å
b	11.7853 ± 0.0008 Å
c	15.6669 ± 0.0013 Å
α	90°
β	104.559 ± 0.003°
γ	90°
Cell volume	2602.1 ± 0.4 Å³
Cell temperature	298 ± 0.2 K
Ambient diffraction temperature	298 ± 0.2 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	0.064
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1236
Weighted residual factors for all reflections included in the refinement	0.1377
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71075 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.	7045822.cif
206878	2018-03-10	cif/ Adding structures of 7045820, 7045821, 7045822, 7045823, 7045824 via cif-deposit CGI script.	7045822.cif