Information card for entry 7716965

Structure parameters

• Formula: C4 H17 Na2 O7 P
• Calculated formula: C4 H11 Na2 O7 P
• Title of publication: Facile room-temperature synthesis of layered transition metal phosphonates <i>via</i> hitherto unknown alkali metal <i>tert</i>-butyl phosphonates.
• Authors of publication: Kumar, Anuj; Ghatak, Aheli; Murugavel, Ramaswamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 34
• Pages of publication: 14399 - 14410
• a: 14.5571 ± 0.0005 Å
• b: 6.79238 ± 0.00016 Å
• c: 13.4207 ± 0.0003 Å
• α: 90°
• β: 104.188 ± 0.003°
• γ: 90°
• Cell volume: 1286.53 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.2483
• Weighted residual factors for all reflections included in the refinement: 0.2563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No