Information card for entry 2215787

Structure parameters

• Chemical name: Tris(1,10-phenanthroline-5,6-dione-κ^2^N,N')copper(II) bis(perchlorate) 4.5-hydrate
• Formula: C36 H27 Cl2 Cu N6 O18.5
• Calculated formula: C36 H27 Cl2 Cu N6 O18.5
• Title of publication: Tris(1,10-phenanthroline-5,6-dione-κ^2^<i>N</i>,<i>N</i>')copper(II) bis(perchlorate) 4.5-hydrate
• Authors of publication: Khalaji, Aliakbar Dehno; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2848 - m2848
• a: 13.136 ± 0.002 Å
• b: 14.071 ± 0.002 Å
• c: 20.636 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3814.3 ± 1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes