Information card for entry 7015857

Structure parameters

• Common name: [Cr4(tmp)2Cl6(Et-iac)2].2MeCN
• Formula: C24 H46 Cl6 Cr4 N8 O6
• Calculated formula: C24 H46 Cl6 Cr4 N8 O6
• SMILES: C1[O]2[Cr]34([O]5CC1(C[O]16[Cr]78([NH]=C(C)NC(=[NH]7)C)([O]7CC9(C[O]8[Cr]26([O]4(C9)[Cr]517(Cl)Cl)(Cl)Cl)CC)Cl)CC)(Cl)[NH]=C(C)NC(=[NH]3)C.N#CC.N#CC
• 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: 10.2643 ± 0.0009 Å
• b: 10.27 ± 0.0013 Å
• c: 10.6796 ± 0.001 Å
• α: 62.341 ± 0.011°
• β: 84.353 ± 0.007°
• γ: 71.591 ± 0.009°
• Cell volume: 944.6 ± 0.2 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: 0.0941
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No