Information card for entry 4121216

Structure parameters

• Formula: C55 H83 N4 Ni P Si3
• Calculated formula: C55 H83 N4 Ni P Si3
• SMILES: [Ni]1234([Si]5(P([Si]61N(C(C)(C)C)C(=[N]6C(C)(C)C)c1ccccc1)[Si](C)(C)C)[N](C(C)(C)C)=C(N5C(C)(C)C)c1ccccc1)[CH]1=[CH]4CC[CH]3=[CH]2CC1.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: From a Zwitterionic Phosphasilene to Base Stabilized Silyliumylidene-Phosphide and Bis(silylene) Complexes
• Authors of publication: Nora C. Breit; Tibor Szilvási; Tsuyoshi Suzuki; Daniel Gallego; Shigeyoshi Inoue
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 17958 - 17968
• a: 12.2099 ± 0.0011 Å
• b: 13.6641 ± 0.0011 Å
• c: 18.0233 ± 0.0017 Å
• α: 89.804 ± 0.007°
• β: 80.657 ± 0.007°
• γ: 69.81 ± 0.008°
• Cell volume: 2780.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1438
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No