Information card for entry 4322692

Structure parameters

• Formula: C29 H45 Cl2 Cu N9 O11 S2
• Calculated formula: C29 H37 Cl2 Cu N9 O10.96 S2
• Title of publication: Polyamine Macrocycles Incorporating a Phenanthroline Unit: Their Synthesis, Basicity, and Cu(II) Coordination
• Authors of publication: Carla Bazzicalupi; Andrea Bencini; Vieri Fusi; Claudia Giorgi; Piero Paoletti; Barbara Valtancoli
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 941 - 948
• a: 9.77 ± 0.01 Å
• b: 12.027 ± 0.005 Å
• c: 18.006 ± 0.007 Å
• α: 106.87 ± 0.03°
• β: 90.22 ± 0.08°
• γ: 104.48 ± 0.08°
• Cell volume: 1954 ± 2 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: 0.2313
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections: 0.2553
• Weighted residual factors for significantly intense reflections: 0.1832
• Goodness-of-fit parameter for all reflections: 1.055
• Goodness-of-fit parameter for significantly intense reflections: 1.252
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No