Information card for entry 7027230

Structure parameters

• Formula: C9 H12 Br Mn O3 Se2
• Calculated formula: C9 H12 Br Mn O3 Se2
• Title of publication: Synthesis, spectroscopic and structural studies on transition metal carbonyl complexes of cyclic di- and tetra-selenoether ligands
• Authors of publication: Davies, Maxwell K.; Durrant, Marcus C.; Levason, William; Reid, Gillian; Richards, Raymond L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 7
• Pages of publication: 1077
• a: 12.274 ± 0.001 Å
• b: 12.684 ± 0.001 Å
• c: 8.611 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1340.6 ± 0.2 ų
• Cell temperature: 423.2 K
• Ambient diffraction temperature: 423.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0223
• Goodness-of-fit parameter for significantly intense reflections: 1.461
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No