Information card for entry 4076485

Structure parameters

• Formula: C34 H28 Br4 Mn4 N8 O14
• Calculated formula: C34.0016 H28 Br4.0016 Mn4 N8 O14.0016
• Title of publication: Self-Assembly of Manganese(I)-Based Molecular Squares: Synthesis and Spectroscopic and Structural Characterization
• Authors of publication: Karthikeyan, S.; Velavan, K.; Sathishkumar, Ranganathan; Varghese, Babu; Manimaran, Bala.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1953
• a: 20.972 ± 0.003 Å
• b: 20.972 ± 0.003 Å
• c: 15.313 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6735 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1518
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No