Information card for entry 4334566

Structure parameters

• Formula: C23 H28 N2 Ni O5
• Calculated formula: C23 H28 N2 Ni O5
• SMILES: [Ni]12(Oc3c(C[N]2(CCc2[n]1cccc2)C)cccc3)([OH2])([OH]C)OC(=O)c1ccccc1
• Title of publication: Phenolate- and Acetate (Both μ2-1,1 and μ2-1,3 Modes)-Bridged Linear CoII3 and CoII2MnII Trimers: Magnetostructural Studies
• Authors of publication: Anuj Kumar Sharma; Francesc Lloret; Rabindranath Mukherjee
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4825 - 4833
• a: 9.8785 ± 0.0012 Å
• b: 18.663 ± 0.002 Å
• c: 12.5431 ± 0.0016 Å
• α: 90°
• β: 107.545 ± 0.002°
• γ: 90°
• Cell volume: 2204.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1713
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No