Information card for entry 7023937

Structure parameters

• Formula: C44 H43.64 Cl2 Mn2 N9 O11.32
• Calculated formula: C44 H43.64 Cl2 Mn2 N9 O11.32
• Title of publication: From antiferromagnetic to ferromagnetic exchange in a family of oxime-based Mn(III) dimers: a magneto-structural study.
• Authors of publication: Barros, Wdeson P.; Inglis, Ross; Nichol, Gary S.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Piligkos, Stergios; Stumpf, Humberto O.; Brechin, Euan K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 47
• Pages of publication: 16510 - 16517
• a: 10.7046 ± 0.0004 Å
• b: 11.6206 ± 0.0004 Å
• c: 19.4847 ± 0.0006 Å
• α: 74.968 ± 0.003°
• β: 79.75 ± 0.003°
• γ: 89.644 ± 0.003°
• Cell volume: 2301.45 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0563
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No