Information card for entry 7037716

Structure parameters

• Formula: C208 H184 K2 Mn25 N12 O138 P20
• Calculated formula: C208 H148 K2 Mn25 N12 O138 P20
• Title of publication: Structural variation in cation-assisted assembly of high-nuclearity Mn arsonate and phosphonate wheels.
• Authors of publication: Chimamkpam, Theresa O.; Clérac, Rodolphe; Mitcov, Dmitri; Twamley, Brendan; Venkatesan, Munuswamy; Schmitt, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1349 - 1353
• a: 47.9173 ± 0.0014 Å
• b: 13.8095 ± 0.0006 Å
• c: 25.5449 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16903.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.1452
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.2036
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No