Information card for entry 7000425

Structure parameters

• Formula: C73 H82 Cl4 Mn8 N20 O33
• Calculated formula: C73 H81 Cl4 Mn8 N20 O33
• Title of publication: Employment of methyl 2-pyridyl ketone oxime in manganese non-carboxylate chemistry: MnII2MnIV and MnII2MnIII6 complexes
• Authors of publication: Stoumpos, Constantinos C.; Stamatatos, Theocharis C.; Sartzi, Harikleia; Roubeau, Olivier; Tasiopoulos, Anastasios J.; Nastopoulos, Vassilios; Teat, Simon J.; Christou, George; Perlepes, Spyros P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 6
• Pages of publication: 1004 - 1015
• a: 15.2249 ± 0.0004 Å
• b: 26.6739 ± 0.0007 Å
• c: 23.3275 ± 0.0005 Å
• α: 90°
• β: 107.158 ± 0.002°
• γ: 90°
• Cell volume: 9051.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0524
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No