Information card for entry 7011128

Structure parameters

• Formula: C26 H35 N6 Ni2 O4 S2
• Calculated formula: C26 H35 N6 Ni2 O4 S2
• SMILES: [Ni]1234([N](=Cc5c6[O]3[Ni]3([N](CC[N]3(Cc6cc(c5)C)CC)(C)C)(N=C=S)([N]2=C=S)[O]=C(O4)C)Cc2[n]1cccc2)[OH]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: 10.715 ± 0.007 Å
• b: 11.517 ± 0.007 Å
• c: 12.583 ± 0.008 Å
• α: 84.718 ± 0.012°
• β: 71.358 ± 0.012°
• γ: 87.245 ± 0.013°
• Cell volume: 1464.8 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No