Information card for entry 7007493

Structure parameters

• Formula: C33 H38 Br3 N4 Ni2 O7.5
• Calculated formula: C33 H38 Br3 N4 Ni2 O7.5
• Title of publication: Dinuclear nickel complexes with a Ni(2)O(2) core: a structural and magnetic study.
• Authors of publication: Fondo, Matilde; García-Deibe, Ana M; Ocampo, Noelia; Sanmartín, Jesús; Bermejo, Manuel R.; Llamas-Saiz, Antonio L
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 35
• Pages of publication: 4260 - 4270
• a: 20.515 ± 0.005 Å
• b: 14.726 ± 0.005 Å
• c: 24.311 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7344 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2122
• Weighted residual factors for all reflections included in the refinement: 0.2173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No