Information card for entry 4321200

Structure parameters

• Formula: C56 H52 B Cu N4
• Calculated formula: C56 H52 B Cu N4
• Title of publication: Structural and Photophysical Studies of Cu(NN)2+Systems in the Solid State. Emission at Last from Complexes with Simple 1,10-Phenanthroline Ligands
• Authors of publication: Corey T. Cunningham; Jeffrey J. Moore; Kurstan L. H. Cunningham; Phillip E. Fanwick; David R. McMillin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3638 - 3644
• a: 17.4883 ± 0.0004 Å
• b: 9.8686 ± 0.0001 Å
• c: 26.3747 ± 0.0006 Å
• α: 90°
• β: 97.7021 ± 0.0008°
• γ: 90°
• Cell volume: 4510.81 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No