Information card for entry 4305929

Structure parameters

• Formula: C48 H42 N2 Pt
• Calculated formula: C48 H42 N2 Pt
• SMILES: [Pt]1([N](=C2C(=[N]1c1c(C)cc(C)cc1C)c1cccc3cccc2c13)c1c(C)cc(C)cc1C)(C#Cc1ccc(C)cc1)C#Cc1ccc(C)cc1
• 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: 11.6618 ± 0.0001 Å
• b: 14.5179 ± 0.0002 Å
• c: 22.3442 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3782.98 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0435
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No