Information card for entry 2204317

Structure parameters

• Chemical name: (5-Bromo-2-oxidoacetophenone 4-chlorobenzoylhydrazido)(triethylamine)nickel(II)
• Formula: C21 H25 Br Cl N3 Ni O2
• Calculated formula: C21 H25 Br Cl N3 Ni O2
• SMILES: [Ni]12(OC(=N[N]2=C(c2c(O1)ccc(Br)c2)C)c1ccc(Cl)cc1)[N](CC)(CC)CC
• Title of publication: (5-Bromo-2-oxidoacetophenone 4-chlorobenzoylhydrazido)(triethylamine)nickel(II)
• Authors of publication: Ali, Hapipah; Khamis, Nur Ashikin; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1525 - m1526
• a: 9.846 ± 0.002 Å
• b: 10.41 ± 0.002 Å
• c: 12.253 ± 0.003 Å
• α: 79.99 ± 0.04°
• β: 85.74 ± 0.04°
• γ: 62.49 ± 0.03°
• Cell volume: 1096.9 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0342
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No