Information card for entry 4339838

Structure parameters

• Formula: C25 H32 Cd N4 O9
• Calculated formula: C25 H32 Cd N4 O9
• SMILES: c1(c2ccccc2cc2ccccc12)C[N]12CC[O]3CC[O]4CC[NH]5CC[O](CC1)[Cd]12345(ON(=O)=O)ON(=[O]1)=O
• Title of publication: New fluorescent chemosensors for heavy metal ions based on functionalized pendant arm derivatives of 7-anthracenylmethyl-1,4,10-trioxa-7,13-diazacyclopentadecane.
• Authors of publication: Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Danesi, Andrea; Devillanova, Francesco A.; Garau, Alessandra; Gelbrich, Thomas; Isaia, Francesco; Lippolis, Vito; Hursthouse, Michael B.; Valtancoli, Barbara; Wilson, Claire
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 8088 - 8097
• a: 10.0206 ± 0.0005 Å
• b: 7.8827 ± 0.0004 Å
• c: 32.782 ± 0.003 Å
• α: 90°
• β: 92.21 ± 0.005°
• γ: 90°
• Cell volume: 2587.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0865
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No