Information card for entry 7015853

Structure parameters

• Common name: [CrCl2(bpy)2]2[Cr2Cl8(MeCN)2]
• Formula: C44 H38 Cl12 Cr4 N10
• Calculated formula: C44 H38 Cl12 Cr4 N10
• SMILES: c1cccc2[n]1[Cr]1([n]3ccccc3c3[n]1cccc3)(Cl)([n]1c2cccc1)Cl.[N](#CC)[Cr]1(Cl)(Cl)(Cl)[Cl][Cr]([N]#CC)(Cl)(Cl)(Cl)[Cl]1.c1cccc2c3cccc[n]3[Cr]3([n]12)([n]1ccccc1c1[n]3cccc1)(Cl)Cl
• 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: 9.732 ± 0.0006 Å
• b: 11.9168 ± 0.0007 Å
• c: 12.3731 ± 0.0007 Å
• α: 67.596 ± 0.005°
• β: 88.605 ± 0.005°
• γ: 75.836 ± 0.005°
• Cell volume: 1282.51 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No