Information card for entry 4322156

Structure parameters

• Formula: C16 H36 Cl2 Cu N12 O14
• Calculated formula: C16 H36 Cl2 Cu N12 O14
• 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: 8.436 ± 0.002 Å
• b: 8.439 ± 0.002 Å
• c: 22.997 ± 0.008 Å
• α: 97.85 ± 0.03°
• β: 91.82 ± 0.02°
• γ: 111.4 ± 0.02°
• Cell volume: 1504.1 ± 0.8 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: 0.28
• Residual factor for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections: 0.4124
• Weighted residual factors for significantly intense reflections: 0.2873
• Goodness-of-fit parameter for all reflections: 1.032
• Goodness-of-fit parameter for significantly intense reflections: 1.269
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No