Information card for entry 7015746

Structure parameters

• Formula: C40 H56 N24 Ni4 O24
• Calculated formula: C40 H56 N24 Ni4 O24
• SMILES: c1cccc2C(N)=[N]3N=C4C(C)=[N](O)[Ni]567([O]4[Ni]43([n]12)([OH]C)[N](=C(C1=N[N]2=C(c3cccc[n]3[Ni]32([N](=C(C2=N[N]8=C(c9cccc[n]9[Ni]98([N](=C(C(=N[N]6=C(c6cccc[n]56)N)[O]79)C)O)([O]32)[OH]C)N)C)O)([O]41)[OH]C)N)C)O)[OH]C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Complexes of functionally modified hydrazone ligands–square, rectangular (M4), trigonal bipyramidal (M5) and pin-wheel (M6) motifs.
• Authors of publication: Anwar, Muhammad U.; Elliott, Andrew S.; Thompson, Laurence K.; Dawe, Louise N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4623 - 4635
• a: 17.217 ± 0.004 Å
• b: 17.217 ± 0.004 Å
• c: 11.169 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3310.8 ± 1.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.2611
• Weighted residual factors for all reflections included in the refinement: 0.2633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No