Information card for entry 2215140

Structure parameters

• Chemical name: Bis{methyl [1-(6-acetyl-2-pyridyl)ethylidene]hydrazinecarbodithioato}nickel(II)
• Formula: C22 H24 N6 Ni O2 S4
• Calculated formula: C22 H24 N6 Ni O2 S4
• SMILES: [Ni]1234([N](=C(C)c5cccc(C(=O)C)[n]15)N=C(S3)SC)[N](=C(C)c1cccc(C(=O)C)[n]21)N=C(S4)SC
• Title of publication: Bis{methyl [1-(6-acetyl-2-pyridyl)ethylidene]hydrazinecarbodithioato}nickel(II)
• Authors of publication: Akbar Ali, Mohammad; Mirza, Aminul Huq; Bernhardt, Paul V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2255 - m2255
• a: 10.6343 ± 0.0008 Å
• b: 10.8217 ± 0.0007 Å
• c: 22.603 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2601.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes