Information card for entry 7036618

Structure parameters

• Common name: [Mn(aminopyrazine)2(N3)2]n
• Formula: C8 H10 Mn N12
• Calculated formula: C8 H10 Mn N12
• Title of publication: Different topologies in three manganese-μ-azido 1D compounds: magnetic behavior and DFT-quantum Monte Carlo calculations.
• Authors of publication: Mautner, Franz A.; Berger, Christian; Scherzer, Michael; Fischer, Roland C.; Maxwell, Lindley; Ruiz, Eliseo; Vicente, Ramon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 42
• Pages of publication: 18632 - 18642
• a: 3.4751 ± 0.0005 Å
• b: 7.7427 ± 0.0007 Å
• c: 12.428 ± 0.0014 Å
• α: 101.48 ± 0.02°
• β: 96.04 ± 0.02°
• γ: 96.73 ± 0.02°
• Cell volume: 322.6 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No