Information card for entry 7010592

Structure parameters

• Chemical name: tetrakis(4-nitrobenzoato)diaquacopper(II) acetone solvate
• Formula: C31 H26 Cu2 N4 O19
• Calculated formula: C31 H26 Cu2 N4 O19
• Title of publication: Structure and host‒guest properties of the nanoporous diaquatetrakis( p-nitrobenzoato)dicopper(II) framework
• Authors of publication: Kristiansson, Olof; Tergenius, Lars-Erik
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1415
• a: 6.7335 ± 0.0009 Å
• b: 11.9248 ± 0.0015 Å
• c: 12.4536 ± 0.0016 Å
• α: 101.657 ± 0.002°
• β: 104.52 ± 0.002°
• γ: 97.283 ± 0.002°
• Cell volume: 931.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1065
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No