Information card for entry 2014794

Structure parameters

• Chemical name: Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^N,N')copper(I) hydrogensquarate hemihydrate
• Formula: C32 H26 Cu N4 O4.5
• Calculated formula: C32 H26 Cu N4 O4.5
• Title of publication: Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(I) hydrogen squarate hemihydrate
• Authors of publication: Uçar, İbrahim; Bulut, Ahmet; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m266 - m268
• a: 15.9664 ± 0.001 Å
• b: 13.753 ± 0.0012 Å
• c: 13.5082 ± 0.0011 Å
• α: 90°
• β: 112.343 ± 0.006°
• γ: 90°
• Cell volume: 2743.5 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 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 all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 0.805
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes