Information card for entry 2015572

Structure parameters

• Chemical name: bis(4,7-diphenyl-1,10-phenanthroline)dinitratocopper(II)
• Formula: C48 H32 Cu N6 O6
• Calculated formula: C48 H32 Cu N6 O6
• SMILES: c1cc(c2ccc3c(cc[n]4c3c2[n]1[Cu]14[n]2ccc(c3ccc4c(cc[n]1c4c23)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: An unusual eight-coordinated copper complex: bis(4,7-diphenyl-1,10-phenanthroline)dinitratocopper(II)
• Authors of publication: Yanko Moreno; Patricio Hermosilla; María Teresa Garland; Octavio Peña; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m404 - m406
• a: 20.337 ± 0.002 Å
• b: 17.7445 ± 0.0018 Å
• c: 12.7349 ± 0.0013 Å
• α: 90°
• β: 124.35 ± 0.002°
• γ: 90°
• Cell volume: 3794.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes