Information card for entry 4306997

Structure parameters

• Formula: C16 H32 Cu N8 Ni O2
• Calculated formula: C16 H28 Cu N8 Ni O2
• SMILES: [Cu]12([N]#C[Ni](C#N)(C#N)C#N)([NH2][C@@H]3CCCC[C@H]3[NH2]1)[NH2][C@@H]1CCCC[C@H]1[NH2]2.O.O
• Title of publication: Synthesis of Zirconium, Hafnium, and Tantalum Complexes with Sterically Demanding Hydrazide Ligands
• Authors of publication: Jean-Sébastien M. Lehn; Saba Javed; David M. Hoffman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 993 - 1000
• a: 9.864 ± 0.004 Å
• b: 15.393 ± 0.008 Å
• c: 7.995 ± 0.004 Å
• α: 90°
• β: 110.32 ± 0.03°
• γ: 90°
• Cell volume: 1138.4 ± 1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No