Information card for entry 3500124

Structure parameters

• Formula: C6 H16 Cl2 Cu N4 O14
• Calculated formula: C6 H16 Cl2 Cu N4 O14
• Authors of publication: Noelia Santamaría; Miguel Quirós; Juan M. Salas
• Journal of publication: Personal communication to COD
• Year of publication: 2022
• a: 26.241 ± 0.006 Å
• b: 12.644 ± 0.003 Å
• c: 10.303 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3418.4 ± 1.3 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes