Crystallography Open Database

Information card for entry 7060133

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Coordinates	7060133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Pt
Calculated formula	C18 H24 Pt
Title of publication	Dynamics of the efficient cyclometalation of the undercoordinated organoplatinum complex [Pt(COD)(neoPh)]+ (neoPh = 2-methyl-2-phenylpropyl)
Authors of publication	Neugebauer, Michael; Schmitz, Simon; Brünink, Dana; Doltsinis, Nikos L.; Klein, Axel
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	44
Pages of publication	19238 - 19249
a	10.2621 ± 0.0009 Å
b	14.7331 ± 0.0012 Å
c	19.7363 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2984 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0511
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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