Information card for entry 4311713

Structure parameters

• Formula: C20 H33 Br3 Cl N7 O5 Zn2
• Calculated formula: C20 H32 Br3 Cl N7 O5 Zn2
• SMILES: Br[Zn]123[n]4c5C[NH]6[Zn]7(Br)([OH]1)[NH](CC[NH2+]CC[NH]3Cc1[n]2c(ccc1)c4ccc5)CC[NH]7CC6.[Br-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Zn(II) Coordination to Polyamine Macrocycles Containing Dipyridine Units. New Insights into the Activity of Dinuclear Zn(II) Complexes in Phosphate Ester Hydrolysis
• Authors of publication: Carla Bazzicalupi; Andrea Bencini; Emanuela Berni; Antonio Bianchi; Patrizia Fornasari; Claudia Giorgi; Barbara Valtancoli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6255 - 6265
• a: 11.375 ± 0.004 Å
• b: 7.919 ± 0.004 Å
• c: 17.335 ± 0.005 Å
• α: 84.12 ± 0.03°
• β: 76.531 ± 0.018°
• γ: 98.94 ± 0.06°
• Cell volume: 1484.4 ± 1.1 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: 0.0599
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No