Information card for entry 7008887

Structure parameters

• Formula: C12 H27 Cl2 N4 Ni O8.5 S2
• Calculated formula: C12 H26 Cl2 N4 Ni O8.5 S2
• Title of publication: Nickel(II) complexes with dithiadiiminoamine and dithiabis(thiosemicarbazone) ligands †
• Authors of publication: Pavlishchuk, Vitaly V.; Kolotilov, Sergey V.; Addison, Anthony W.; Butcher, Raymond J.; Sinn, Ekkehard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 335
• a: 16.888 ± 0.002 Å
• b: 19.831 ± 0.003 Å
• c: 13.2864 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4449.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No