Information card for entry 4315021

Structure parameters

• Common name: Adenine-pyrene copper complex
• Formula: C54 H59 Cl10 Cu3 N15 O3
• Calculated formula: C54 H53 Cl10 Cu3 N15 O3
• SMILES: c1[nH+]c(c2c(n1)n(c[n]2[Cu](Cl)(Cl)Cl)CC[NH2+]Cc1ccc2c3c1ccc1c3c(ccc1)cc2)N.c1[nH+]c(c2c(n1)n(c[n]2[Cu](Cl)(Cl)Cl)CC[NH2+]Cc1ccc2c3c1ccc1c3c(ccc1)cc2)N.C(#N)C.C(#N)C.C(#N)C.[Cl-][Cu](Cl)(Cl)[Cl-].O.O.O
• Title of publication: Silver-Guided Excimer Emission in an Adenine-Pyrene Conjugate: Fluorescence Lifetime and Crystal Studies
• Authors of publication: Mrituanjay D. Pandey; Ashutosh Kumar Mishra; Vadapalli Chandrasekhar; Sandeep Verma
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2020 - 2022
• a: 10.3007 ± 0.0015 Å
• b: 23.61 ± 0.003 Å
• c: 26.996 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6565.4 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P b n 21
• Hall space group symbol: P 2c -2ab
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1804
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No