Information card for entry 7031388

Structure parameters

• Formula: C40 H56 N6 Ni3 O10
• Calculated formula: C40 H56 N6 Ni3 O10
• SMILES: c12ccccc1C=[N]1CC[N]3(CCCCC3)[Ni]3451[O]2[Ni]12([O]3C(=[O]4)C)([O]=C(C)O[Ni]346([N](=Cc7c(cccc7)[O]14)CC[N]13CCCCC1)[O]2C(=[O]6)C)OC(=[O]5)C.N#CC.N#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: 9.2422 ± 0.0016 Å
• b: 11.427 ± 0.002 Å
• c: 11.94 ± 0.002 Å
• α: 71.389 ± 0.007°
• β: 86.472 ± 0.007°
• γ: 68.48 ± 0.006°
• Cell volume: 1109.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No