Information card for entry 4322085

Structure parameters

• Formula: C18 H30 Cl2 Cu N5 O8.5
• Calculated formula: C18 H29 Cl2 Cu N5 O8.5
• Title of publication: Unusual Ligand Isomerization Dictated by Coordination Requirements of the Metal Ion: A Double-Bond Shift in Cu(II)-Assisted Template Condensation between Diacetylpyridine and a Tripodal Tetramine
• Authors of publication: Elena V. Rybak-Akimova; Alexander Y. Nazarenko; Svetlana S. Silchenko
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2974 - 2980
• a: 16.676 ± 0.004 Å
• b: 9.238 ± 0.002 Å
• c: 17.46 ± 0.004 Å
• α: 90°
• β: 112.03 ± 0.02°
• γ: 90°
• Cell volume: 2493.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No