Information card for entry 4070766

Structure parameters

• Formula: C27 H22 N2 Pt
• Calculated formula: C27 H22 N2 Pt
• SMILES: c12c(cccc2)Cc2c([Pt]31[n]1c(C)ccc4c1c1[n]3c(C)ccc1cc4)cccc2
• Title of publication: 9,10-Dihydroplatinaanthracenes with Aromatic Diimine Ligands: Syntheses and Spectroscopic and Computational Studies of New Luminescent Materials
• Authors of publication: De Crisci, Antonio G.; Lough, Alan J.; Multani, Kanwarpal; Fekl, Ulrich
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 8
• Pages of publication: 1765
• a: 19.8057 ± 0.0002 Å
• b: 18.9645 ± 0.0007 Å
• c: 5.3313 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2002.46 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No