Information card for entry 7014292

Structure parameters

• Formula: C24 H39 N6 Ni2 O4 S2
• Calculated formula: C24 H39 N6 Ni2 O4 S2
• SMILES: [Ni]1234([N](=C=S)[Ni]56([O]1c1c(cc(cc1C[N]3(CC[N]4(C)C)CC)C)C=[N]5CC[N]6(C)C)([O]=C(O2)C)OC)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: 9.6221 ± 0.001 Å
• b: 10.1421 ± 0.0011 Å
• c: 16.0114 ± 0.0017 Å
• α: 83.911 ± 0.002°
• β: 74.683 ± 0.002°
• γ: 78.905 ± 0.002°
• Cell volume: 1476.3 ± 0.3 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: 0.1174
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No