Information card for entry 4073379

Structure parameters

• Formula: C65 H73 Ga N2 Ni2
• Calculated formula: C65 H73 Ga N2 Ni2
• SMILES: [Ga]12([Ni]34567([Ni]891([C]3(c1ccccc1)=[C]58c1ccccc1)[C](c1ccccc1)#[C]9c1ccccc1)[CH]1=[CH]4CC[CH]7=[CH]6CC1)[N](=C(C=C(N2c1c(C(C)C)cccc1C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Nickel Olefin Complexes Supported by GaI(DDP)†
• Authors of publication: Kempter, Andreas; Gemel, Christian; Cadenbach, Thomas; Fischer, Roland A.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 17
• Pages of publication: 4257
• a: 12.5791 ± 0.0005 Å
• b: 19.3714 ± 0.0012 Å
• c: 22.6823 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5527.1 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.1871
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0441
• Goodness-of-fit parameter for all reflections included in the refinement: 0.495
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No