Information card for entry 7025763

Structure parameters

• Formula: C40 H70 N4 Pt
• Calculated formula: C40 H70 N4 Pt
• SMILES: [Pt](=C1N(C=CN1C1CCCCCCC1)C1CCCCCCC1)(C)(=C1N(C=CN1C1CCCCCCC1)C1CCCCCCC1)C
• 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: 12.924 ± 0.003 Å
• b: 14.532 ± 0.003 Å
• c: 19.717 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3703.1 ± 1.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No