Crystallography Open Database

Information card for entry 7108171

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Coordinates	7108171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H110 P4 Pt2
Calculated formula	C54 H102 P4 Pt2
Title of publication	Room Temperature Reversible CH Activation Mediated by a Pt(0) center, and Stoichiometric Biphenyl Formation via Solvent Activation
Authors of publication	Emmanuel Nicolas; Xavier Le Goff; Stephane Bouchonnet; Nicolas Mezailles
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Journal issue	67
Pages of publication	8350 - 8352
a	11.408 ± 0.001 Å
b	17.246 ± 0.001 Å
c	18.454 ± 0.001 Å
α	78.329 ± 0.001°
β	72.921 ± 0.001°
γ	85.186 ± 0.001°
Cell volume	3397.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.077
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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