Information card for entry 7205958

Structure parameters

• Formula: C95 H105 Cd4 N22 O46
• Calculated formula: C77 H52 Cd4 N16 O20
• Title of publication: Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters
• Authors of publication: Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 3321
• a: 17.322 ± 0.002 Å
• b: 17.322 ± 0.002 Å
• c: 27.263 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8180 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 128
• Hermann-Mauguin space group symbol: P 4/m n c
• Hall space group symbol: -P 4 2n
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No