Information card for entry 4310661

Structure parameters

• Formula: C69 H44 Cu2 F9 N14 O9.5 S3
• Calculated formula: C69 H44 Cu2 F9 N14 O9.5 S3
• Title of publication: Synthesis and Characterization of Cu2(I,I), Cu2(I,II), and Cu2(II,II) Compounds Supported by Two Phthalazine-Based Ligands: Influence of a Hydrophobic Pocket
• Authors of publication: Jane Kuzelka; Sumitra Mukhopadhyay; Bernhard Spingler; Stephen J. Lippard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1751 - 1761
• a: 15.408 ± 0.005 Å
• b: 15.733 ± 0.005 Å
• c: 15.804 ± 0.005 Å
• α: 67.99 ± 0.005°
• β: 77.43 ± 0.005°
• γ: 83.6 ± 0.005°
• Cell volume: 3464.9 ± 1.9 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 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: 0.06
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No