Information card for entry 7041913

Structure parameters

• Common name: Rubidium manganese borophosphate
• Chemical name: Rubidium manganese borophosphate hydrate
• Formula: B16 H6.96 Mn12 O107.02 P24 Rb9.05
• Calculated formula: B16 H6.96 Mn12 O107.019 P24 Rb9.0508
• Title of publication: Crystal structure and spin-trimer magnetism of Rb2.3(H2O)0.8Mn3[B4P6O24(O,OH)2].
• Authors of publication: Yakubovich, Olga V.; Shvanskaya, Larisa V.; Kiriukhina, Galina V.; Volkov, Anatoly S.; Dimitrova, Olga V.; Ovchenkov, Evgeny A.; Tsirlin, Alexander A.; Shakin, Alexander A.; Volkova, Olga S.; Vasiliev, Alexander N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2957 - 2965
• a: 20.0755 ± 0.0012 Å
• b: 9.1512 ± 0.0008 Å
• c: 12.2568 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2251.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.2215
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.659
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No