Information card for entry 4108384

Structure parameters

• Formula: C28 H55 N3 Ni O0 P2
• Calculated formula: C28 H55 N3 Ni P2
• SMILES: [Ni]12([P](CC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)N(=NC13CC4CC(CC(C1)C4)C3)=N2
• Title of publication: η2-Organoazide Complexes of Nickel and Their Conversion to Terminal Imido Complexes via Dinitrogen Extrusion
• Authors of publication: Rory Waterman; Gregory L. Hillhouse
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12628 - 12629
• a: 11.7111 ± 0.0014 Å
• b: 15.1445 ± 0.0019 Å
• c: 17.514 ± 0.002 Å
• α: 90°
• β: 98.285 ± 0.002°
• γ: 90°
• Cell volume: 3073.8 ± 0.6 ų
• Cell temperature: 378 ± 2 K
• Ambient diffraction temperature: 378 ± 2 K
• Number of distinct elements: 6
• 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: 0.0574
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No