Crystallography Open Database

Information card for entry 7712107

Preview

Coordinates	7712107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H43 Cl2 Hg2 N O4
Calculated formula	C33 H43 Cl2 Hg2 N O4
Title of publication	On the mercuration, palladation, transmetalation and direct auration of a C^N^C pincer ligand.
Authors of publication	McEllin, Alice Jane; Goult, Christopher A.; Whitwood, Adrian C.; Lynam, Jason M.; Bruce, Duncan W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	4
Pages of publication	872 - 876
a	14.0415 ± 0.0006 Å
b	18.4352 ± 0.0007 Å
c	27.089 ± 0.0009 Å
α	90°
β	104.177 ± 0.004°
γ	90°
Cell volume	6798.6 ± 0.5 Å³
Cell temperature	110.05 ± 0.1 K
Ambient diffraction temperature	110.05 ± 0.1 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1525
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283263 (current)	2023-05-05	cif/ Updating files of 7712105, 7712106, 7712107 Original log message: Adding full bibliography for 7712105--7712107.cif.	7712107.cif
280316	2023-01-13	cif/ Adding structures of 7712105, 7712106, 7712107 via cif-deposit CGI script.	7712107.cif