Information card for entry 7024266

Structure parameters

• Formula: C38 H34 Br4 Mn2 N4 O8
• Calculated formula: C38 H34 Br4 Mn2 N4 O8
• Title of publication: Is there really a diagnostically useful relationship between the carbon-oxygen stretching frequencies in metal carboxylate complexes and their coordination mode?
• Authors of publication: Martínez, David; Motevalli, Majid; Watkinson, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 446 - 455
• a: 13.449 ± 0.003 Å
• b: 26.229 ± 0.005 Å
• c: 10.973 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3870.8 ± 1.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No