Information card for entry 7037715

Structure parameters

• Formula: C88 H62 As10 Cl K Mn8 N4 O52
• Calculated formula: C88 H62 As10 Cl K Mn8 N4 O52
• 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: 26.9149 ± 0.0009 Å
• b: 31.0829 ± 0.0011 Å
• c: 21.2174 ± 0.0007 Å
• α: 90°
• β: 96.4956 ± 0.0018°
• γ: 90°
• Cell volume: 17636.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No