Crystallography Open Database

Information card for entry 4107161

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Coordinates	4107161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H44 B F24 N3 Pt
Calculated formula	C58 H44 B F24 N3 Pt
Title of publication	Mechanistic Studies of Ethylene Hydrophenylation Catalyzed by Bipyridyl Pt(II) Complexes
Authors of publication	Bradley A. McKeown; Hector Emanuel Gonzalez; Max R. Friedfeld; T. Brent Gunnoe; Thomas R. Cundari; Michal Sabat
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	19131 - 19152
a	12.9799 ± 0.0007 Å
b	14.7278 ± 0.0007 Å
c	16.9878 ± 0.0008 Å
α	67.787 ± 0.002°
β	82.985 ± 0.002°
γ	81.55 ± 0.002°
Cell volume	2966 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.0463
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	0.892
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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