Crystallography Open Database

Information card for entry 7704089

Preview

Coordinates	7704089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H81.98 O4 P2 Pd
Calculated formula	C54 H81.98 O4 P2 Pd
Title of publication	Oxidative addition of activated aryl-carboxylates to Pd(0): divergent reactivity dependant on temperature and structure.
Authors of publication	Becica, Joseph; Gaube, Gregory; Sabbers, William A.; Leitch, David C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	45
Pages of publication	16067 - 16071
a	13.5548 ± 0.0009 Å
b	13.7277 ± 0.001 Å
c	14.8809 ± 0.001 Å
α	67.878 ± 0.001°
β	74.021 ± 0.001°
γ	86.4 ± 0.002°
Cell volume	2463.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.95 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
260775 (current)	2021-01-07	cif/ Updating files of 7704088, 7704089 Original log message: Adding full bibliography for 7704088--7704089.cif.	7704089.cif
250835	2020-04-16	cif/ Adding structures of 7704088, 7704089 via cif-deposit CGI script.	7704089.cif