Information card for entry 4342654

Structure parameters

• Formula: C22 H32 N8 Ni O
• Calculated formula: C22 H32 N8 Ni O
• SMILES: [Ni]12(=C3N(C=CN3C)CN3C=1N(C=C3)C)=C1N(C=CN1C)CN1C=CN(C)C=21.O1CCCC1
• Title of publication: Synthesis and Structural Studies of Nickel(0) Tetracarbene Complexes with the Introduction of a New Four-Coordinate Geometric Index, τδ.
• Authors of publication: Reineke, Mark H.; Sampson, Matthew D.; Rheingold, Arnold L.; Kubiak, Clifford P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3211 - 3217
• a: 10.0899 ± 0.0006 Å
• b: 10.6066 ± 0.0008 Å
• c: 21.3352 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2283.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0612
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No