Information card for entry 2233520

Structure parameters

• Chemical name: Bis{2-[3-(hydroxyimino-κ<i>N</i>)butan-2-ylidene]-<i>N</i>- methylhydrazinecarbothioamide-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II) dichloride
• Formula: C12 H24 Cl2 N8 Ni O2 S2
• Calculated formula: C12 H24 Cl2 N8 Ni O2 S2
• SMILES: [Ni]1234([S]=C(N[N]2=C(C(=[N]1O)C)C)NC)[S]=C(N[N]4=C(C(=[N]3O)C)C)NC.[Cl-].[Cl-]
• Title of publication: Bis{2-[3-(hydroxyimino-κ<i>N</i>)butan-2-ylidene]-<i>N</i>-methylhydrazinecarbothioamide-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II) dichloride
• Authors of publication: Abduelftah, Halema Shaban; Qasem Ali, Amna; Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m108 - m109
• a: 8.9484 ± 0.0001 Å
• b: 13.8043 ± 0.0002 Å
• c: 35.4643 ± 0.0005 Å
• α: 90°
• β: 95.78 ± 0.001°
• γ: 90°
• Cell volume: 4358.51 ± 0.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes