Crystallography Open Database

Information card for entry 7040822

Preview

Coordinates	7040822.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(tricyclohexylphoshine)platinum(eta3-allyl) 2,3,5,6-tetrafluoro-4-oxido-pyridine
Formula	C44 H71 F4 N O P2 Pt
Calculated formula	C44 H71 F4 N O P2 Pt
Title of publication	Platinum(0)-mediated C-O bond activation of ethers via an SN2 mechanism.
Authors of publication	Ortuño, Manuel A; Jasim, Nasarella A.; Whitwood, Adrian C.; Lledós, Agustí; Perutz, Robin N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	47
Pages of publication	18842 - 18850
a	15.67024 ± 0.0002 Å
b	17.605 ± 0.00017 Å
c	16.44506 ± 0.00019 Å
α	90°
β	110.467 ± 0.0014°
γ	90°
Cell volume	4250.39 ± 0.09 Å³
Cell temperature	110.05 ± 0.1 K
Ambient diffraction temperature	110.05 ± 0.1 K
Number of distinct elements	7
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	0.0346
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
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
190215 (current)	2017-01-09	cif/ Updating files of 7040822 Original log message: Adding full bibliography for 7040822.cif.	7040822.cif
187009	2016-10-07	cif/ Adding structures of 7040822 via cif-deposit CGI script.	7040822.cif