Information card for entry 1549539

Structure parameters

• Formula: C29 H40 Cu4 N2 O23
• Calculated formula: C29 H43 Cu4 N2 O23
• Title of publication: Synthesis, Crystal Structure, Hydrogen Bonding, and Thermal Behavior of a Three-Dimensional CuII-benzene-1,2,4,5-tetracarboxylate Templated by 1,9-Diaminononane
• Authors of publication: Köferstein, Roberto; Robl, Christian
• Journal of publication: Zeitschrift für anorganische und allgemeine Chemie
• Year of publication: 2014
• Journal volume: 640
• Journal issue: 10
• Pages of publication: 1937
• a: 10.575 ± 0.002 Å
• b: 11.66 ± 0.002 Å
• c: 15.767 ± 0.002 Å
• α: 106.08 ± 0.01°
• β: 90.73 ± 0.02°
• γ: 94.05 ± 0.01°
• Cell volume: 1862.4 ± 0.5 ų
• 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: 0.054
• Residual factor for significantly intense reflections: 0.045
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No