Information card for entry 7031389

Structure parameters

• Formula: C40 H58 N4 Ni3 O10
• Calculated formula: C40 H58 N4 Ni3 O10
• SMILES: [O]12[Ni]345([O]6c7ccccc7C=[N]7CC[N]8(CCCCC8)[Ni]867([O]3C(=[O]8)CC)[O]=C(O5)CC)[O]3c5ccccc5C=[N]5CC[N]6(CCCCC6)[Ni]235([O]=C1CC)OC(=[O]4)CC
• Title of publication: Syntheses, crystal structures and magnetic properties of a series of μ-phenoxo-μ1,1-carboxylato-μ1,3-carboxylato trinickel(ii) compounds.
• Authors of publication: Bhattacharya, Sagarika; Sasmal, Sujit; Carrella, Luca; Rentschler, Eva; Mohanta, Sasankasekhar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 12065 - 12076
• a: 9.721 ± 0.002 Å
• b: 18.581 ± 0.004 Å
• c: 12.238 ± 0.003 Å
• α: 90°
• β: 104.402 ± 0.008°
• γ: 90°
• Cell volume: 2141 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0399
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No