Information card for entry 7023938

Structure parameters

• Formula: C45 H45 Cl2 Mn2 N9 O11
• Calculated formula: C45 H45 Cl2 Mn2 N9 O11
• 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: 11.0368 ± 0.0004 Å
• b: 11.5272 ± 0.0006 Å
• c: 19.2934 ± 0.001 Å
• α: 74.555 ± 0.005°
• β: 81.387 ± 0.004°
• γ: 84.794 ± 0.004°
• Cell volume: 2335.9 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No