Information card for entry 7008594

Structure parameters

• Formula: C25 H20 Cl2 Cu N6 O2 S2
• Calculated formula: C25 H20 Cl2 Cu N6 O2 S2
• Title of publication: Structure and properties of bivalent nickel and copper complexes with pyrazine-amide-thioether coordination: stabilization of trivalent nickel.
• Authors of publication: Kumar Singh, Akhilesh; Mukherjee, Rabindranath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 17
• Pages of publication: 2886 - 2891
• a: 11.243 ± 0.005 Å
• b: 13.823 ± 0.005 Å
• c: 16.083 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2499.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No