Information card for entry 7720592

Structure parameters

• Chemical name: catena-(μ-4,4?-bipyridine-3,3?,5,5?-tetraphosphonato)-aqua-calcium(II)
• Formula: C40 H79 Ca9 N8 O75.5 P16
• Calculated formula: C40 H58 Ca9 N8 O65 P16
• Title of publication: Proton-conducting coordination polymers formed from bipyridine phosphonate ligands
• Authors of publication: Ramteke, Prajakta Mohan; Plecháček, Tomáš; Kloda, Matous; Rohlíček, Jan; Vykydalová, Anna; Melanova, Klara; Bavol, Dmytro; Škoch, Karel; Taddei, Marco; Demel, Jan; Hynek, Jan
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 13.687 ± 0.0016 Å
• b: 26.63 ± 0.05 Å
• c: 26.88 ± 0.03 Å
• α: 90°
• β: 89.96 ± 0.03°
• γ: 90°
• Cell volume: 9797 ± 2 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.243
• Residual factor for significantly intense reflections: 0.1358
• Weighted residual factors for significantly intense reflections: 0.3313
• Weighted residual factors for all reflections included in the refinement: 0.4053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No