Information card for entry 7015323

Structure parameters

• Formula: C36 H78 Cl4 N24 Ni4 O33.5 S4
• Calculated formula: C36 H48 Cl4 N24 Ni4 O24.5 S4
• SMILES: [Ni]12345[S]6[Ni]789([S]%10[Ni]%11%12%13([S]%14[Ni]%15%16%17([S]1C(=N[N]4=C(C(=[N]5O)C)C)N[N]%17=C(C(=[N]%16O)C)C)[N](NC%14=N[N]%13=C(C(=[N]%12O)C)C)=C(C(=[N]%15O)C)C)[N](N=C%10N[N]9=C(C(=[N]8O)C)C)=C(C(=[N]%11O)C)C)[N](NC6=N[N]3=C(C(=[N]2O)C)C)=C(C(=[N]7O)C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Complexes of ditopic carbo- and thio-carbohydrazone ligands‒mononuclear, 1D chain, dinuclear and tetranuclear examples.
• Authors of publication: Tandon, Santokh S.; Dul, Marie-Claire; Lee, John L.; Dawe, Louise N.; Anwar, Muhammad U.; Thompson, Laurence K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3466 - 3475
• a: 15.241 ± 0.003 Å
• b: 22.657 ± 0.005 Å
• c: 24.327 ± 0.004 Å
• α: 80.5 ± 0.011°
• β: 77.768 ± 0.015°
• γ: 88.138 ± 0.016°
• Cell volume: 8097 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1467
• Residual factor for significantly intense reflections: 0.1153
• Weighted residual factors for significantly intense reflections: 0.2965
• Weighted residual factors for all reflections included in the refinement: 0.3256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No