Information card for entry 4114891

Structure parameters

• Common name: compound 2-d27
• Formula: C29 H13 D27 N2 Pt
• Calculated formula: C29 H40 N2 Pt
• SMILES: CC1=CC(=[N](c2c(cccc2C(C)C)C(C)C)[PtH]23N1c1c(cccc1C(C)C)[C]2(C)=[CH2]3)C
• Title of publication: Five-Coordinate Platinum(IV) Complex as a Precursor to a Novel Pt(II) Olefin Hydride Complex for Alkane Activation
• Authors of publication: Ulrich Fekl; Karen I. Goldberg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 6804 - 6805
• a: 8.795 ± 0.0004 Å
• b: 26.016 ± 0.0014 Å
• c: 11.617 ± 0.0006 Å
• α: 90°
• β: 102.853 ± 0.003°
• γ: 90°
• Cell volume: 2591.5 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.716
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No