Information card for entry 4305930

Structure parameters

• Formula: C34 H38 Cl2 N2 O Pt
• Calculated formula: C34 H38 Cl2 N2 O Pt
• SMILES: [Pt]1([N](=C2C(=[N]1c1c(cc(cc1C)C)C)c1cccc3cccc2c13)c1c(cc(cc1C)C)C)(Cl)Cl.CCOCC
• Title of publication: Photophysical Properties of Platinum(II)-Acetylide Complexes: the Effect of a Strongly Electron-Accepting Diimine Ligand on Excited-State Structure
• Authors of publication: Christopher J. Adams; Natalie Fey; Zoë A. Harrison; Igor V. Sazanovich; Michael Towrie; Julia A. Weinstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8242 - 8257
• a: 16.656 ± 0.0002 Å
• b: 16.8528 ± 0.0002 Å
• c: 23.1881 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6508.91 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0756
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No