Information card for entry 2234837

Structure parameters

• Chemical name: Poly[[μ-(1-ammonioethane-1,1- diyl)bis(hydrogenphosphonato)]diaquachloridodisodium]
• Formula: C2 H12 Cl N Na2 O8 P2
• Calculated formula: C2 H12 Cl N Na2 O8 P2
• SMILES: C([NH3+])(P(=O)([O-])O)(C)P(=O)([O-])O.[Cl-].[Na+].[Na+].O.O
• Title of publication: Poly[[μ-(1-ammonioethane-1,1-diyl)bis(hydrogenphosphonato)]diaquachloridodisodium]: a powder X-ray diffraction study
• Authors of publication: Rukiah, Mwaffak; Assaad, Thaer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m699 - m700
• a: 5.53806 ± 0.00004 Å
• b: 10.50365 ± 0.00008 Å
• c: 10.2096 ± 0.0001 Å
• α: 90°
• β: 104.076 ± 0.0007°
• γ: 90°
• Cell volume: 576.058 ± 0.008 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Goodness-of-fit parameter for all reflections: 1.33
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No