Information card for entry 7036619

Structure parameters

• Common name: [Mn(N3)2(4-Azpy)2]n
• Formula: C10 H8 Mn N14
• Calculated formula: C10 H8 Mn N14
• 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: 8.245 ± 0.0003 Å
• b: 8.305 ± 0.0003 Å
• c: 11.9444 ± 0.0005 Å
• α: 82.612 ± 0.002°
• β: 69.905 ± 0.002°
• γ: 80.754 ± 0.002°
• Cell volume: 755.74 ± 0.05 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: 0.0424
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No