Information card for entry 2239769

Structure parameters

• Chemical name: Poly[[tri-μ-aqua-dodecaaquatris(μ~3~-1-hydroxyethylidene-1,1-diphosphonato)tricalcium(II)tripalladium(II)] pentahydrate],
• Formula: C2 H15.667 Ca O13.667 P2 Pd
• Calculated formula: C2 H14.5 Ca O13.6667 P2 Pd
• Title of publication: Poly[[tri-μ-aqua-dodecaaquatris(μ~3~-1-hydroxyethylidene-1,1-diphosphonato)tricalcium(II)tripalladium(II)] pentahydrate]
• Authors of publication: Kutsenko, Irina P.; Kozachkova, Alexandra N.; Tsaryk, Natalia V.; Pekhnyo, Vasily I.; Rusanova, Julia A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: m291 - m292
• a: 15.9731 ± 0.0003 Å
• b: 15.9731 ± 0.0003 Å
• c: 18.4149 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4068.91 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 192
• Hermann-Mauguin space group symbol: P 6/m c c
• Hall space group symbol: -P 6 2c
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes