Information card for entry 7235082

Structure parameters

• Formula: C10 H48 N2 Na2 O23 P4
• Calculated formula: C10 H48 N2 Na2 O23 P4
• SMILES: C([NH+](CP(=O)([O-])O)CCCCCC[NH+](CP(=O)([O-])O)CP(=O)(O)[O-])P(=O)([O-])O.O.O.O.O.O.[Na+].O.[Na+].O.O.O.O.O
• Title of publication: From light to heavy alkali metal tetraphosphonates (M = Li, Na, K, Rb, Cs): cation size-induced structural diversity and water-facilitated proton conductivity
• Authors of publication: Salcedo, Inés R.; Colodrero, Rosario M. P.; Bazaga-García, Montse; Vasileiou, Antonia; Papadaki, Maria; Olivera-Pastor, Pascual; Infantes-Molina, Antonia; Losilla, Enrique R.; Mezei, Gellert; Cabeza, Aurelio; Demadis, Konstantinos D.
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 47
• Pages of publication: 7648
• a: 7.6682 ± 0.0001 Å
• b: 11.5335 ± 0.0001 Å
• c: 18.0768 ± 0.0002 Å
• α: 97.378 ± 0.001°
• β: 94.792 ± 0.001°
• γ: 101.705 ± 0.001°
• Cell volume: 1542.61 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No