Information card for entry 7107249

Structure parameters

• Formula: C48 H48 Cl4 Co5 N18
• Calculated formula: C48 H48 Cl4 Co5 N18
• SMILES: n12[Co]3456n7[n]8c9cc(C)c(cc9[n]7[Co]7([n]9c%10c(cc(c(c%10)C)C)[n]([Co]%10([n]1c1cc(C)c(cc1[n]2[Co]([n]1c2cc(C)c(cc2[n]7n41)C)([n]1c2c(cc(c(c2)C)C)[n]([Co]8(Cl)[n]2c4c(cc(c(c4)C)C)[n]%10n52)n61)Cl)C)Cl)n39)Cl)C
• Title of publication: Reversible gas-phase redox processes catalyzed by Co-exchanged MFU-4l(arge)
• Authors of publication: Dmytro Denysenko; Tamas Werner; Maciej Grzywa; Angela Puls; Volker Hagen; Georg Eickerling; Jelena Jelic; Dirk Volkmer
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1236
• a: 23.513 ± 0.0001 Å
• b: 23.513 ± 0.0001 Å
• c: 23.513 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12999.4 ± 0.1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 227
• Hermann-Mauguin space group symbol: F d -3 m :2
• Hall space group symbol: -F 4vw 2vw 3
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No