Information card for entry 4333786

Structure parameters

• Formula: C16 H34 N8 Ni
• Calculated formula: C16 H34 N8 Ni
• SMILES: [Ni]12([N](=NC=CN1N(C)C)C(C)(C)C)[N](=NC=CN2N(C)C)C(C)(C)C
• Title of publication: Volatility and High Thermal Stability in Mid-to-Late First-Row Transition-Metal Complexes Containing 1,2,5-Triazapentadienyl Ligands
• Authors of publication: Lakmal C. Kalutarage; Mary Jane Heeg; Philip D. Martin; Mark J. Saly; David S. Kuiper; Charles H. Winter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1182 - 1184
• a: 8.8652 ± 0.0008 Å
• b: 8.9505 ± 0.0008 Å
• c: 14.3752 ± 0.0013 Å
• α: 98.726 ± 0.004°
• β: 91.036 ± 0.004°
• γ: 115.678 ± 0.004°
• Cell volume: 1011.59 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.2021
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No