Information card for entry 7007158

Structure parameters

• Common name: dibromobis(1,10-phenanthroline-5,6-dione)copper(ii)
• Chemical name: dibromobis(1,10-phenanthroline-5,6-dione)copper(II)
• Formula: C24 H12 Br2 Cu N4 O4
• Calculated formula: C24 H12 Br2 Cu N4 O4
• SMILES: Br[Cu]12([n]3c4c5[n]1cccc5C(=O)C(=O)c4ccc3)([n]1cccc3C(=O)C(=O)c4ccc[n]2c4c13)Br
• Title of publication: Coordination and hydrogen bonded network structures of Cu(II) with mixed ligands: a hybrid hydrogen bonded material, an infinite sandwich arrangement, and a 3-D net.
• Authors of publication: Stephenson, Maria D.; Hardie, Michaele J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 28
• Pages of publication: 3407 - 3417
• a: 41.33 ± 0.005 Å
• b: 8.3836 ± 0.0019 Å
• c: 12.939 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4483.3 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2072
• Weighted residual factors for all reflections included in the refinement: 0.2163
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No