Information card for entry 7009374

Structure parameters

• Formula: C5 H18 Mn2 N2 O14 P2
• Calculated formula: C7 H34 Mn2 N4 O14 P2
• Title of publication: Mixed inorganic‒organic anion frameworks: synthesis and characterisation of [Mn4(PO4)2(C2O4)(H2O)2] and [H3N(CH2)3NH3][Mn2(HPO4)2(C2O4)(H2O)2]
• Authors of publication: Lethbridge, Zoe A. D.; Hillier, Adrian D.; Cywinski, Robert; Lightfoot, Philip
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 1595
• a: 5.474 ± 0.002 Å
• b: 15.737 ± 0.002 Å
• c: 9.056 ± 0.002 Å
• α: 90°
• β: 93.47 ± 0.03°
• γ: 90°
• Cell volume: 778.7 ± 0.3 ų
• Cell temperature: 493.2 K
• Ambient diffraction temperature: 493.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0388
• Goodness-of-fit parameter for significantly intense reflections: 2.67
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No