Information card for entry 7014289

Structure parameters

• Formula: C24 H36 N6 Ni2 O4 S2
• Calculated formula: C24 H36 N6 Ni2 O4 S2
• SMILES: [Ni]1234([O]5[Ni]6([O]=C(O1)C)(OC)([N](=Cc1c5c(cc(c1)C)C[N]2(CCC[N]3(C)C)C)CC[N]6(C)C)[N]4=C=S)N=C=S
• 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: 14.518 ± 0.004 Å
• b: 12.787 ± 0.004 Å
• c: 32.356 ± 0.008 Å
• α: 90°
• β: 95.092 ± 0.008°
• γ: 90°
• Cell volume: 5983 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1875
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.2389
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No