Crystallography Open Database

Information card for entry 7712106

Preview

Coordinates	7712106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H43 Au Cl N O4
Calculated formula	C33 H43 Au Cl 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	11.08601 ± 0.00014 Å
b	18.3382 ± 0.0002 Å
c	30.5993 ± 0.0005 Å
α	90°
β	94.3823 ± 0.0014°
γ	90°
Cell volume	6202.57 ± 0.15 Å³
Cell temperature	109.95 ± 0.1 K
Ambient diffraction temperature	109.95 ± 0.1 K
Number of distinct elements	6
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	0.0427
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7712106.cif
280316	2023-01-13	cif/ Adding structures of 7712105, 7712106, 7712107 via cif-deposit CGI script.	7712106.cif