Information card for entry 7027165

Structure parameters

• Formula: C23 H32 Cl2 Cu N4 O
• Calculated formula: C23 H32 Cl2 Cu N4 O
• SMILES: [Cu]123(Cl)[NH2]CCC[NH]1CC[NH]2CCC[NH]3Cc1c2ccccc2cc2ccccc12.O.[Cl-]
• Title of publication: Thermodynamic and fluorescence emission studies on chemosensors containing anthracene fluorophores. Crystal structure of {[CuL1Cl]Cl}2·2H2O [L1 = N-(3-aminopropyl)-N ′-3-(anthracen-9-ylmethyl)aminopropylethane-1,2-diamine]
• Authors of publication: Bernardo, Ma Alexandra; Pina, Fernando; Escuder, Beatriu; García-España, Enrique; Godino-Salido, Ma Luz; Latorre, Julio; Luis, Santiago V.; Ramírez, José A.; Soriano, Conxa
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 6
• Pages of publication: 915
• a: 13.307 ± 0.001 Å
• b: 13.305 ± 0.001 Å
• c: 16.538 ± 0.002 Å
• α: 104.94 ± 0.01°
• β: 111.67 ± 0.01°
• γ: 102.76 ± 0.01°
• Cell volume: 2460.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1649
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections: 0.2667
• Weighted residual factors for significantly intense reflections: 0.2075
• Goodness-of-fit parameter for all reflections: 1.812
• Goodness-of-fit parameter for significantly intense reflections: 2.315
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No