Information card for entry 7005525

Structure parameters

• Formula: C12 H15 N5 Ni S2
• Calculated formula: C12 H15 N5 Ni S2
• Title of publication: The first metamagnetic thiocyanato-bridged one-dimensional nickel(II) complex.
• Authors of publication: Chattopadhyay, Shouvik; Drew, Michael G. B.; Diaz, Carmen; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 24
• Pages of publication: 2492 - 2494
• a: 7.7083 ± 0.0007 Å
• b: 12.2654 ± 0.0006 Å
• c: 15.8917 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1502.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No