Crystallography Open Database

Information card for entry 1566688

Preview

Coordinates	1566688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29.4 H40.8 Cl8.8 N2 P2 Pd
Calculated formula	C29.4 H40.8 Cl8.8 N2 P2 Pd
Title of publication	(In situ) spectroscopic studies on state-of-the-art Pd(ii) catalysts in solution for the alkoxycarbonylation of alkenes
Authors of publication	Kucmierczyk, Peter; Behrens, Stephan; Kubis, Christoph; Baumann, Wolfgang; Wei, Zhihong; Jiao, Haijun; Dong, Kaiwu; Spannenberg, Anke; Neumann, Helfried; Jackstell, Ralf; Börner, Armin; Franke, Robert; Beller, Matthias
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	10
Pages of publication	3175 - 3189
a	15.262 ± 0.0006 Å
b	12.8154 ± 0.0005 Å
c	20.9917 ± 0.0008 Å
α	90°
β	108.535 ± 0.0016°
γ	90°
Cell volume	3892.8 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0395
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
275777 (current)	2022-06-06	cif/ Updating files of 1566688, 1566689, 1566690 Original log message: Adding full bibliography for 1566688--1566690.cif.	1566688.cif
273933	2022-03-24	cif/ Adding structures of 1566688, 1566689, 1566690 via cif-deposit CGI script.	1566688.cif