Crystallography Open Database

Information card for entry 7704088

Preview

Coordinates	7704088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H74 O4 P2 Pd
Calculated formula	C44 H74 O4 P2 Pd
SMILES	[Pd](C1C=C(OC(=O)C=1)C)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)OC(=O)C
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	11.5817 ± 0.0011 Å
b	17.9358 ± 0.0017 Å
c	21.123 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4387.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.04 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0209
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0428
Weighted residual factors for all reflections included in the refinement	0.0435
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
260775 (current)	2021-01-07	cif/ Updating files of 7704088, 7704089 Original log message: Adding full bibliography for 7704088--7704089.cif.	7704088.cif
250835	2020-04-16	cif/ Adding structures of 7704088, 7704089 via cif-deposit CGI script.	7704088.cif