Crystallography Open Database

Information card for entry 7045821

Preview

Coordinates	7045821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H36 Hg0.5 N2 O3.5
Calculated formula	C23 H36 Hg0.5 N2 O3.5
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	21.355 ± 0.003 Å
b	10.4818 ± 0.0008 Å
c	20.973 ± 0.002 Å
α	90°
β	106.496 ± 0.004°
γ	90°
Cell volume	4501.3 ± 0.8 Å³
Cell temperature	180 ± 0.2 K
Ambient diffraction temperature	180 ± 0.2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0845
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	7045821.cif
206878	2018-03-10	cif/ Adding structures of 7045820, 7045821, 7045822, 7045823, 7045824 via cif-deposit CGI script.	7045821.cif