Information card for entry 2219067

Structure parameters

• Chemical name: [<i>N</i>'-(1,3-Dioxoindan-2-ylidene)-2-oxidobenzohydrazidato- κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>]tripyridinenickel(II) pyridine solvate
• Formula: C36 H28 N6 Ni O4
• Calculated formula: C36 H28 N6 Ni O4
• SMILES: [Ni]12([N](C(=O)c3ccccc3O2)=NC2=C(c3ccccc3C2=O)O1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.c1ccccn1
• Title of publication: [<i>N</i>'-(1,3-Dioxoindan-2-ylidene)-2-oxidobenzohydrazidato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>]tripyridinenickel(II) pyridine solvate
• Authors of publication: Liu, Wei-Sheng; Wu, Da-Xiang; Chen, Jia-Yu; Wang, Hui-Juan; Tang, Xiao-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1088
• a: 17.1945 ± 0.0013 Å
• b: 17.6887 ± 0.0013 Å
• c: 21.4633 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6528 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes