Information card for entry 1557077

Structure parameters

• Common name: Aquadinitrato-(2,9-dimethy1-1,10-phenanthroline)copper(II)
• Formula: C14 H14 Cu N4 O7
• Calculated formula: C14 Cu N4 O7
• SMILES: [Cu]123([OH2])(ON(=O)=[O]1)(ON(=[O]2)=O)[n]1c2c(ccc1C)ccc1ccc([n]3c21)C
• Title of publication: Crystal Structure of Aquadinitrato(2,9-dimethyl-1,10-phenanthroline)copper(II)
• Authors of publication: Heldal, H. E.; Sletten, J.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 122 - 124
• a: 7.662 ± 0.001 Å
• b: 20.359 ± 0.006 Å
• c: 11.642 ± 0.002 Å
• α: 90°
• β: 117.6 ± 0.2°
• γ: 90°
• Cell volume: 1609 ± 3 ų
• Ambient diffraction temperature: 104 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No