Information card for entry 7014285

Structure parameters

• Formula: C26 H43 N5 Ni2 O5 S
• Calculated formula: C26 H43 N5 Ni2 O5 S
• SMILES: [Ni]12345[O]6[Ni]7([N](CCC[N]7=Cc7c6c(cc(c7)C)C[N]1(CC[N]2(CC)CC)C)(C)C)(N=C=S)([O]4C(=[O]3)C)[O]=C(O5)C
• Title of publication: The systematic generation of monodentate bridging ethanoates in dinuclear nickel(II) complexes of asymmetric compartmental ligands
• Authors of publication: Harry Adams; Scott Clunas; David E. Fenton; Sharon E. Spey
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 441 - 448
• a: 20.4403 ± 0.0015 Å
• b: 11.8916 ± 0.0009 Å
• c: 25.694 ± 0.002 Å
• α: 90°
• β: 103.25 ± 0.002°
• γ: 90°
• Cell volume: 6079.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1224
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No