Information card for entry 7004898

Structure parameters

• Formula: C36 H30 Cl3 Cr Mn3 N12 O6
• Calculated formula: C36 H30 Cl3 Cr Mn3 N12 O6
• SMILES: C1c2cccc[n]2[Mn]234([N]=1O[Cr]1567[O]([N]2=Cc2[n]3cccc2)[Mn]23([N](=Cc8cccc[n]28)O1)(Cl)[N](=Cc1cccc[n]31)[O]6[Mn]12([N](=Cc3cccc[n]13)O5)(Cl)[N](=Cc1cccc[n]21)[O]47)Cl
• Title of publication: A spin-frustrated star-shaped heterotetranuclear CrIIIMnII3 species and its magnetic and HF-EPR measurements.
• Authors of publication: Khanra, Sumit; Biswas, Biplab; Golze, Christian; Büchner, Bernd; Kataev, Vladislav; Weyhermüller, Thomas; Chaudhuri, Phalguni
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 481 - 487
• a: 18.222 ± 0.003 Å
• b: 18.222 ± 0.003 Å
• c: 32.411 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9320 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1577
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No