Information card for entry 4335059

Structure parameters

• Formula: C25 H32.3 Cl2 Cu N4 O16.15
• Calculated formula: C25 H32.29 Cl2 Cu N4 O16.145
• Title of publication: Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups
• Authors of publication: Peter Comba; Michael Morgen; Hubert Wadepohl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6481 - 6501
• a: 13.4969 ± 0.0003 Å
• b: 12.728 ± 0.0002 Å
• c: 18.1306 ± 0.0003 Å
• α: 90°
• β: 94.3369 ± 0.0018°
• γ: 90°
• Cell volume: 3105.71 ± 0.1 ų
• Cell temperature: 114.94 ± 0.18 K
• Ambient diffraction temperature: 115 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No