Crystallography Open Database

Information card for entry 4086329

Preview

Coordinates	4086329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H50 O P2 Pt
Calculated formula	C35 H50 O P2 Pt
SMILES	c12c4cc(cc1c1c(cccc1)[P](C(C)C)(C(C)C)[Pt](C)(O2)[P](c1c4cccc1)(C(C)C)C(C)C)C(C)(C)C
Title of publication	Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism
Authors of publication	Edouard, Guy A.; Kelley, Paul; Herbert, David E.; Agapie, Theodor
Journal of publication	Organometallics
Year of publication	2015
a	15.5042 ± 0.0007 Å
b	15.5042 ± 0.0007 Å
c	11.8599 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	2468.9 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	144
Hermann-Mauguin space group symbol	P 31
Hall space group symbol	P 31
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.0411
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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