Information card for entry 4326600

Structure parameters

• Formula: C43 H36 Cl5 Cr2 F3 Mn N12 O3 S
• Calculated formula: C43 H36 Cl5 Cr2 F3 Mn N12 O3 S
• SMILES: [Mn]1234([Cr]5678[Cr]([n]9c(N5c5[n]1cccc5)cccc9)([n]1c(N6c5[n]2cccc5)cccc1)([n]1c(N7c2[n]3cccc2)cccc1)([n]1c(N8c2[n]4cccc2)cccc1)OS(=O)(=O)C(F)(F)F)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Remote Effects of Axial Ligand Substitution in Heterometallic Cr\τbCr...M Chains
• Authors of publication: Michael Nippe; Yevgeniya Turov; John F. Berry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10592 - 10599
• a: 18.9813 ± 0.0017 Å
• b: 16.9171 ± 0.0015 Å
• c: 15.6408 ± 0.0014 Å
• α: 90°
• β: 108.93 ± 0.001°
• γ: 90°
• Cell volume: 4750.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No