Information card for entry 7025765

Structure parameters

• Formula: C60 H110 N4 O2 Pt
• Calculated formula: C60 H110 N4 O2 Pt
• SMILES: [Pt](=C1N(C=CN1C1CCCCCCCCCCC1)C1CCCCCCCCCCC1)(C)(=C1N(C=CN1C1CCCCCCCCCCC1)C1CCCCCCCCCCC1)C.O1CCOCC1
• Title of publication: Flexible cycloalkyl-substituted N-heterocyclic carbenes.
• Authors of publication: Fortman, George C.; Slawin, Alexandra M. Z.; Nolan, Steven P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3923 - 3930
• a: 17.712 ± 0.005 Å
• b: 15.351 ± 0.004 Å
• c: 23.005 ± 0.007 Å
• α: 90°
• β: 111.436 ± 0.007°
• γ: 90°
• Cell volume: 5822 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No