Information card for entry 4305928

Structure parameters

• Formula: C48 H40 Cl6 N2 Pt
• Calculated formula: C48 H40 Cl6 N2 Pt
• SMILES: [Pt]1([N](=C2C(=[N]1c1c(C)cc(C)cc1C)c1cccc3cccc2c13)c1c(C)cc(C)cc1C)(C#Cc1ccccc1)C#Cc1ccccc1.ClC(Cl)Cl.ClC(Cl)Cl
• 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: 9.855 ± 0.009 Å
• b: 10.455 ± 0.008 Å
• c: 23.113 ± 0.013 Å
• α: 98.69 ± 0.007°
• β: 98.5 ± 0.006°
• γ: 102.44 ± 0.007°
• Cell volume: 2258 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No