Information card for entry 7015854

Structure parameters

• Common name: [Cr4(tmp)2(bpy)3Cl6],2.5(MeCN)
• Formula: C47 H53.5 Cl6 Cr4 N8.5 O6
• Calculated formula: C47 H53.5 Cl6 Cr4 N8.5 O6
• Title of publication: Chromium(iii) stars and butterflies: synthesis, structural and magnetic studies of tetrametallic clusters.
• Authors of publication: Batchelor, Luke J.; Sander, Mario; Tuna, Floriana; Helliwell, Madeleine; Moro, Fabrizio; van Slageren, Joris; Burzurí, Enrique; Montero, Oscar; Evangelisti, Marco; Luis, Fernando; McInnes, Eric J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 19
• Pages of publication: 5278 - 5284
• a: 11.841 ± 0.002 Å
• b: 12.681 ± 0.003 Å
• c: 19.725 ± 0.004 Å
• α: 83.13 ± 0.03°
• β: 77.85 ± 0.03°
• γ: 64.92 ± 0.03°
• Cell volume: 2620.9 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No