Information card for entry 4073601

Structure parameters

• Formula: C31 H50 N2 Pt
• Calculated formula: C31 H50 N2 Pt
• SMILES: C1(N(CCCCN1C1CCCCC1)C1CCCCC1)=[Pt]12([CH]3[C@H]4CC[C@@H]([CH]1=3)C4)[CH]1=[CH]2[C@H]2CC[C@@H]1C2
• Title of publication: First Examples of Diazepanylidene Carbenes and Their Late-Transition-Metal Complexes
• Authors of publication: Iglesias, Manuel; Beetstra, Dirk J.; Stasch, Andreas; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 19
• Pages of publication: 4800
• a: 11.7981 ± 0.0003 Å
• b: 11.0902 ± 0.0002 Å
• c: 21.1619 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2768.89 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No