Crystallography Open Database

Information card for entry 1100894

Preview

Coordinates	1100894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.7 H23.8 Cl F20 P2 Pd
Calculated formula	C46.7 H23.8 Cl F20 P2 Pd
Title of publication	Electron-Poor Pentafluorophenyl-Substituted PCP‒Palladium Pincer Complexes
Authors of publication	Chase, Preston A.; Gagliardo, Marcella; Lutz, Martin; Spek, Anthony L.; van Klink, Gerard P. M.; van Koten, Gerard
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	9
Pages of publication	2016 - 2019
a	15.4853 ± 0.0001 Å
b	13.6515 ± 0.0001 Å
c	26.0274 ± 0.0002 Å
α	90°
β	122.559 ± 0.0003°
γ	90°
Cell volume	4637.39 ± 0.06 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1286
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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