Crystallography Open Database

Information card for entry 4115852

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Coordinates	4115852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H52 B2 F24 N6 O Pt
Calculated formula	C57 H52 B2 F33 N6 O Pt
Title of publication	Structural Characterization of an Intermediate in Arene C-H Bond Activation and Measurement of the Barrier to C-H Oxidative Addition: A Platinum(II) η2-Benzene Adduct
Authors of publication	Stefan Reinartz; Peter S. White; Maurice Brookhart; Joseph L. Templeton
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	12724 - 12725
a	39.7863 ± 0.002 Å
b	12.6041 ± 0.0006 Å
c	25.4511 ± 0.0013 Å
α	90°
β	107.363 ± 0.001°
γ	90°
Cell volume	12181.4 ± 1.1 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.081
Residual factor for significantly intense reflections	0.053
Weighted residual factors for all reflections	0.071
Weighted residual factors for significantly intense reflections	0.067
Goodness-of-fit parameter for significantly intense reflections	2.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MolybdenumKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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