Information card for entry 2209773

Structure parameters

• Chemical name: Poly[[bis(acetonitrile-κN)bis{μ-2-[(2- carboxylatoethyl)ammoniomethyl]benzoato}copper(II)] bis(perchlorate) acetonitrile disolvate]
• Formula: C30 H36 Cl2 Cu2 N6 O16
• Calculated formula: C30 H36 Cl2 Cu2 N6 O16
• Title of publication: Poly[[bis(acetonitrile-κ<i>N</i>)bis{μ-2-[(2-carboxylatoethyl)ammoniomethyl]benzoato}copper(II)] bis(perchlorate) acetonitrile disolvate]
• Authors of publication: Musie, Ghezai T.; Li, Xiaobao; Klausmeyer, Kevin K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1966 - m1968
• a: 16.7083 ± 0.0008 Å
• b: 10.916 ± 0.0005 Å
• c: 21.0628 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3841.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes