Information card for entry 4307717

Structure parameters

• Formula: C30 H66 Cl4 Mn2 N6 O16.5
• Calculated formula: C30 H44 Cl4 Mn2 N6 O6
• Title of publication: Rational Design of a Covalently Tethered Dinuclear [MnII(N3O2)Cl(OH2)]22+ Macrocyclic Building Block: Synthesis, Structure, and Magnetic Properties
• Authors of publication: Jian Wang; Brianna Slater; Antonio Alberola; Helen Stoeckli-Evans; Fereidoon S. Razavi; Melanie Pilkington
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4763 - 4765
• a: 11.1004 ± 0.0009 Å
• b: 14.6062 ± 0.0012 Å
• c: 17.249 ± 0.0013 Å
• α: 63.667 ± 0.006°
• β: 70.728 ± 0.006°
• γ: 77.087 ± 0.006°
• Cell volume: 2356.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1988
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No