Information card for entry 7030616

Structure parameters

• Formula: Cl H56 Mo8 N12 O56 P9
• Calculated formula: Cl H56 Mo8 N12 O56 P9
• Title of publication: [NH4]12[(MoO2)2O(HPO4)2]4[PO4]X, X = Cl, Br–new porous layer molybdenophosphates with embedded multiple anionic and cationic guests.
• Authors of publication: Kotsapa, Eleni; Weller, Mark T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2009
• Journal issue: 3
• Pages of publication: 418 - 420
• a: 9.7148 ± 0.0001 Å
• b: 9.7148 ± 0.0001 Å
• c: 14.5615 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1374.28 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7000305
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No