Information card for entry 2204483

Structure parameters

• Chemical name: {2'-[1-(5-Bromo-2- oxidophenyl)ethylidene]benzohydrazidato(2-)}tris(pyridine)nickel(II)] pyridine solvate
• Formula: C35 H30 Br Cl N6 Ni O2
• Calculated formula: C35 H30 Br Cl N6 Ni O2
• SMILES: [Ni]12(OC(=N[N]2=C(C)c2cc(Br)ccc2O1)c1ccc(Cl)cc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.n1ccccc1
• Title of publication: {2'-[1-(5-Bromo-2-oxidophenyl)ethylidene]benzohydrazidato(2‒)}tris(pyridine)nickel(II)] pyridine solvate
• Authors of publication: Ali, Hapipah M.; Khamis, Nur Ashikin; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1708 - m1709
• a: 12.587 ± 0.003 Å
• b: 21.037 ± 0.005 Å
• c: 12.738 ± 0.003 Å
• α: 90°
• β: 90.907 ± 0.005°
• γ: 90°
• Cell volume: 3372.5 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes