Information card for entry 4331545

Structure parameters

• Formula: C6 H6 Cu2 N8 O9 P3
• Calculated formula: C10 H22 Cu2 N2 O12
• Title of publication: Rational Design and Synthesis of Porous Organic−Inorganic Hybrid Frameworks Constructed by 1,3,5-Benzenetriphosphonic Acid and Pyridine Synthons
• Authors of publication: Kong, Deyuan; Zoñ, Jerzy; McBee, Jennifer; Clearfield, Abraham
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 977 - 986
• a: 13.733 ± 0.012 Å
• b: 8.659 ± 0.008 Å
• c: 8.808 ± 0.008 Å
• α: 90°
• β: 124.083 ± 0.012°
• γ: 90°
• Cell volume: 867.5 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0195
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 0.818
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No