Information card for entry 4114124

Structure parameters

• Formula: C73 H104 Ga2 N8 Ni
• Calculated formula: C66 H96 Ga2 N8 Ni
• SMILES: C1=CN([Ga](N1c1c(cccc1C(C)C)C(C)C)[Ni](=C1N(C(=C(N1C)C)C)C)(=C1N(C(=C(N1C)C)C)C)[Ga]1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Analogies between the Reactivities of an Anionic Gallium(I) Heterocycle and N-Heterocyclic Carbenes Toward Metallocenes
• Authors of publication: Robert J. Baker; Cameron Jones; Jamie A. Platts
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10534 - 10535
• a: 15.991 ± 0.003 Å
• b: 13.198 ± 0.003 Å
• c: 16.475 ± 0.003 Å
• α: 90°
• β: 96.27 ± 0.03°
• γ: 90°
• Cell volume: 3456.2 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1144
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No