Information card for entry 7022183

Structure parameters

• Formula: C85 H104 B2 N6 Ni2 O S2
• Calculated formula: C85 H105 B2 N6 Ni2 O S2
• Title of publication: Binuclear nickel complexes with an edge sharing bis(square-pyramidal) N3Ni(μ-S2)NiN3 core: synthesis, characterization, crystal structure and magnetic properties.
• Authors of publication: Lehmann, Ulrike; Lach, Jochen; Loose, Claudia; Hahn, Torsten; Kersting, Berthold; Kortus, Jens
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 4
• Pages of publication: 987 - 996
• a: 16.917 ± 0.003 Å
• b: 23.635 ± 0.005 Å
• c: 19.856 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7939 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No