Information card for entry 7021851

Structure parameters

• Formula: C5 H10 Mn N5 O4 Zn
• Calculated formula: C5 H4 Mn N5 O4 Zn
• Title of publication: A porous Mn(v) coordination framework with PtS topology: assessment of the influence of a terminal nitride on CO2 sorption.
• Authors of publication: Murphy, Michael J.; D'Alessandro, Deanna M; Kepert, Cameron J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13308 - 13310
• a: 7.5111 ± 0.0001 Å
• b: 7.5111 ± 0.0001 Å
• c: 13.4593 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 759.33 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 131
• Hermann-Mauguin space group symbol: P 42/m m c
• Hall space group symbol: -P 4c 2
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No