Information card for entry 4326855

Structure parameters

• Formula: C65 H62 Cl6 N6 O2 P2 Pt
• Calculated formula: C65 H62 Cl6 N6 O2 P2 Pt
• Title of publication: Reactivity of TCNE or TCNQ Derivatives of Quinonoid Zwitterions: Platinum-Induced HCN Elimination vs Oxidative-Addition
• Authors of publication: Thomas Kauf; Pierre Braunstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11472 - 11480
• a: 13.4792 ± 0.0004 Å
• b: 14.5565 ± 0.0003 Å
• c: 19.5384 ± 0.0005 Å
• α: 98.998 ± 0.002°
• β: 107.805 ± 0.001°
• γ: 96.889 ± 0.002°
• Cell volume: 3547.25 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No