Information card for entry 4329854

Structure parameters

• Formula: C44 H52 Cl2 Cu N8 O12
• Calculated formula: C44 H52 Cl2 Cu N8 O12
• Title of publication: Fluorescence Detection of Adenosine Triphosphate in an Aqueous Solution Using a Combination of Copper(II) Complexes
• Authors of publication: Evgeny Kataev; René Arnold; Tobias Rüffer; Heinrich Lang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7948 - 7950
• a: 11.0955 ± 0.0005 Å
• b: 11.4459 ± 0.0005 Å
• c: 18.8973 ± 0.0007 Å
• α: 85.891 ± 0.003°
• β: 88.333 ± 0.003°
• γ: 75.225 ± 0.004°
• Cell volume: 2314.45 ± 0.17 ų
• Cell temperature: 117 K
• Ambient diffraction temperature: 117 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.2115
• Weighted residual factors for all reflections included in the refinement: 0.2148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No