Information card for entry 4340201

Structure parameters

• Formula: C12 H28 Cu6 O32 P6
• Calculated formula: C6 H10.258 Cu2.981 O15.865 P3
• 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: 10.022 ± 0.002 Å
• b: 10.182 ± 0.003 Å
• c: 10.619 ± 0.003 Å
• α: 72.983 ± 0.004°
• β: 62.182 ± 0.004°
• γ: 63.997 ± 0.004°
• Cell volume: 856.1 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No