Crystallography Open Database

Information card for entry 7125642

Preview

Coordinates	7125642.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H54 O P2 Pd Si2
Calculated formula	C47 H54 O P2 Pd Si2
Title of publication	Air- and moisture-stable Xantphos-ligated palladium dialkyl complex as a precatalyst for cross-coupling reactions.
Authors of publication	Takahashi, Rina; Kubota, Koji; Ito, Hajime
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	3
Pages of publication	407 - 410
a	20.6034 ± 0.0004 Å
b	11.5855 ± 0.0002 Å
c	35.7054 ± 0.0008 Å
α	90°
β	97.72 ± 0.002°
γ	90°
Cell volume	8445.7 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
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	0.0381
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247624 (current)	2020-02-04	cif/ Updating files of 7125642 Original log message: Adding full bibliography for 7125642.cif.	7125642.cif
244869	2019-12-03	cif/ Adding structures of 7125642 via cif-deposit CGI script.	7125642.cif