Information card for entry 2005270

Structure parameters

• Chemical name: bis (2-carboxyl-9-dihydroxymethyl-1,10-phenanthroline) copper(II) hydrate
• Formula: C28 H20 Cu N4 O9
• Calculated formula: C28 H20 Cu N4 O9
• Title of publication: 2-Carboxy-9-dihydroxymethyl-1,10-phenanthroline Complexes of Cobalt(II) and Copper(II)
• Authors of publication: Sabel, D. M.; Thompson, J. A.; Butcher, R.; Smith, P. H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1950 - 1954
• a: 7.793 ± 0.002 Å
• b: 12.448 ± 0.002 Å
• c: 13.021 ± 0.003 Å
• α: 82.1 ± 0.03°
• β: 75.06 ± 0.03°
• γ: 86.06 ± 0.03°
• Cell volume: 1208.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2333
• Residual factor for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections: 0.278
• Weighted residual factors for significantly intense reflections: 0.1202
• Goodness-of-fit parameter for all reflections: 3.6
• Goodness-of-fit parameter for significantly intense reflections: 3.6
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No