Information card for entry 4325675

Structure parameters

• Formula: C84 H84 Mn7 N42 O42
• Calculated formula: C84 Mn7 N42 O42
• Title of publication: Coordination Polymers of Hexacyanotrimethylenecyclopropanediide and Its Monoanionic Radical: Synthesis, Structure, and Magnetic Properties
• Authors of publication: Anna M. Kutasi; David R. Turner; Paul Jensen; Boujemaa Moubaraki; Stuart R. Batten; Keith S. Murray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6673 - 6684
• a: 21.3693 ± 0.0009 Å
• b: 21.3693 ± 0.0009 Å
• c: 69.219 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 27373.9 ± 1.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2758
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for significantly intense reflections: 0.1868
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No