Information card for entry 4072446

Structure parameters

• Formula: C34 H34 Cl4 N4 Pt
• Calculated formula: C34 H34 Cl4 N4 Pt
• SMILES: c1ccccc1Cn1c[n+](cc1)Cc1ccccc1.Cl[Pt](Cl)([Cl-])[Cl-].c1ccccc1Cn1c[n+](cc1)Cc1ccccc1
• Title of publication: Synthesis of Mixed NHC/L Platinum(II) Complexes: Restricted Rotation of the NHC Group
• Authors of publication: Newman, Christopher P.; Deeth, Robert J.; Clarkson, Guy J.; Rourke, Jonathan P.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6225
• a: 9.69 ± 0.003 Å
• b: 11.996 ± 0.004 Å
• c: 14.311 ± 0.005 Å
• α: 90°
• β: 92.554 ± 0.008°
• γ: 90°
• Cell volume: 1661.9 ± 1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No