Information card for entry 7022182

Structure parameters

• Formula: C36 H60 Cl2 N6 Ni2 O8 S2
• Calculated formula: C36 H60 Cl2 N6 Ni2 O8 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: 12.8 ± 0.003 Å
• b: 14.108 ± 0.003 Å
• c: 16.996 ± 0.003 Å
• α: 108.23 ± 0.03°
• β: 97.53 ± 0.03°
• γ: 99.3 ± 0.03°
• Cell volume: 2822.3 ± 1.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1872
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No