Information card for entry 4077577

Structure parameters

• Formula: C61 H41 N P2 Pt
• Calculated formula: C61 H41 N P2 Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)C#Cc2c(C#Cc3cc(cnc3)C#Cc3c(C#C1)cccc3)cccc2
• Title of publication: Synthesis and Crystallographic Characterization of a Novel Platinocycle
• Authors of publication: Bosch, Eric; Barnes, Charles L.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 25
• Pages of publication: 5522
• a: 10.8302 ± 0.0016 Å
• b: 14.743 ± 0.002 Å
• c: 16.083 ± 0.002 Å
• α: 81.856 ± 0.002°
• β: 80.155 ± 0.002°
• γ: 68.65 ± 0.002°
• Cell volume: 2347.7 ± 0.6 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: 0.0341
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 0.691
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No