Information card for entry 4314200

Structure parameters

• Formula: C19 H45 Cl4 Cu2 N9 O17
• Calculated formula: C19 H45 Cl4 Cu2 N9 O17
• Title of publication: TACN-Amino Acid Conjugates and Their Copper(II) Complexes
• Authors of publication: Arunendu Mondal; Eric L. Klein; Masood A. Khan; Robert P. Houser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5462 - 5464
• a: 9.9962 ± 0.0011 Å
• b: 17.432 ± 0.002 Å
• c: 20.285 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3534.7 ± 0.7 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No