Information card for entry 7001582

Structure parameters

• Common name: (Mn(5-bromopyrimidine)(N3)2)n
• Formula: C4 H3 Br Mn N8
• Calculated formula: C4 H3 Br Mn N8
• Title of publication: Rational design of manganese-μ-azido 3D compounds by using diazines as co-ligands: synthesis, structure and magnetic behaviour
• Authors of publication: Vicente, Ramon; Bitschnau, Brigitte; Egger, Andreas; Sodin, Beate; Mautner, Franz A.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 26
• Pages of publication: 5120 - 5126
• a: 12.728 ± 0.003 Å
• b: 11.487 ± 0.002 Å
• c: 12.116 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1771.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections: 1.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No