Information card for entry 4078675

Structure parameters

• Formula: C10 H11 Cl N2 Pt
• Calculated formula: C10 H11 Cl N2 Pt
• SMILES: c12[Pt]3(Cl)[N](=Cc1cccc2C=[N]3C)C
• Title of publication: Syntheses, Structures, and Electronic and Optical Properties of Platinum(II) Complexes of 1,3-Bis(imino)benzene-Derived Pincer Ligands
• Authors of publication: Blackburn, Octavia A.; Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5307
• a: 9.6323 ± 0.0009 Å
• b: 16.5241 ± 0.0016 Å
• c: 6.7869 ± 0.0007 Å
• α: 90°
• β: 109.008 ± 0.002°
• γ: 90°
• Cell volume: 1021.34 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0248
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No