Information card for entry 7015745

Structure parameters

• Formula: C52 H80 N24 Ni4 O24
• Calculated formula: C52 H80 N24 Ni4 O24
• SMILES: c1cccc2C(N)=[N]3N=C4C(C)=[N](O)[Ni]56([O]4[Ni]473([n]12)[n]1ccccc1C(N)=[N]4N=C1C(C)=[N]([Ni]2([N](=C(C3=N[N]4=C(c8cccc[n]8[Ni]894([O]23)[n]2ccccc2C(N)=[N]8N=C(C(C)=[N]5O)[O]69)N)C)O)(ON(=O)=O)([O]71)ON(=O)=O)O)(ON(=O)=O)ON(=O)=O.O(CC)CC.O(CC)CC.O(CC)CC.O(CC)CC
• 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: 19.798 ± 0.002 Å
• b: 23.098 ± 0.002 Å
• c: 32.469 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14848 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No