Information card for entry 4310645

Structure parameters

• Formula: C7 H20 Cl2 Cu N4 O9
• Calculated formula: C7 H20 Cl2 Cu N4 O9
• Title of publication: Stereochemistry in Functionalized Macrocycle Complexes: Control of Hydroxyl Substituent Orientation
• Authors of publication: Jack M. Harrowfield; Yang Kim; George A. Koutsantonis; Young Hoon Lee; Pierre Thuéry
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1689 - 1696
• a: 15.1051 ± 0.0006 Å
• b: 13.7762 ± 0.0006 Å
• c: 15.4565 ± 0.0004 Å
• α: 90°
• β: 103.066 ± 0.002°
• γ: 90°
• Cell volume: 3133.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No