Information card for entry 4322238

Structure parameters

• Formula: C47 H73 B Br2 N6 O6 Zn2
• Calculated formula: C48 H66 B Br2 N6 O5 Zn2
• Title of publication: Carboxy and Diphosphate Ester Hydrolysis by a Dizinc Complex with a New Alcohol-Pendant Macrocycle
• Authors of publication: Carla Bazzicalupi; Andrea Bencini; Emanuela Berni; Antonio Bianchi; Valentina Fedi; Vieri Fusi; Claudia Giorgi; Piero Paoletti; Barbara Valtancoli
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 4115 - 4122
• a: 12.329 ± 0.007 Å
• b: 14.501 ± 0.009 Å
• c: 18.504 ± 0.009 Å
• α: 112.23 ± 0.05°
• β: 98.45 ± 0.08°
• γ: 101.13 ± 0.09°
• Cell volume: 2915 ± 4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1788
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections: 0.2805
• Weighted residual factors for significantly intense reflections: 0.2202
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.155
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No