Information card for entry 4322155

Structure parameters

• Formula: C12 H28 Cl2 Cu N10 O9
• Calculated formula: C12 H28 Cl2 Cu N10 O9
• Title of publication: A Supramolecular Synthon for H-Bonded Transition Metal Arrays
• Authors of publication: Paul V. Bernhardt
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3481 - 3483
• a: 8.2994 ± 0.0008 Å
• b: 8.557 ± 0.001 Å
• c: 18.683 ± 0.003 Å
• α: 79.45 ± 0.01°
• β: 83.55 ± 0.01°
• γ: 72.79 ± 0.01°
• Cell volume: 1243.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1343
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections: 0.3012
• Weighted residual factors for significantly intense reflections: 0.2597
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No