Information card for entry 4310802

Structure parameters

• Formula: C22 H38 N18 Ni2 O2
• Calculated formula: C22 H38 N18 Ni2 O2
• SMILES: [Ni]123([N]([Ni]45([N]1=N#N)(N=N#N)[n]1ccccc1[C@@H]([NH]4CC[N]5(C)C)OC)=N#N)(N=N#N)[n]1ccccc1[C@H]([NH]2CC[N]3(C)C)OC
• Title of publication: Crystal Structure and Magnetic Interactions in Nickel(II) Dibridged Complexes Formed by Two Azide Groups or by Both Phenolate Oxygen-Azide, -Thiocyanate, -Carboxylate, or -Cyanate Groups
• Authors of publication: Subrata Kumar Dey; Nijhuma Mondal; M. Salah El Fallah; Ramon Vicente; Albert Escuer; Xavier Solans; M. Font-Bardía; T. Matsushita; V. Gramlich; Samiran Mitra
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2427 - 2434
• a: 10.111 ± 0.003 Å
• b: 10.497 ± 0.007 Å
• c: 16.695 ± 0.018 Å
• α: 73.73 ± 0.07°
• β: 84.58 ± 0.04°
• γ: 67.73 ± 0.03°
• Cell volume: 1574 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.781
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No