Information card for entry 4324956

Structure parameters

• Formula: C19 H34 B2 Cu F8 N6 O
• Calculated formula: C19 H30 B2 Cu F8 N6 O
• SMILES: [Cu]1234[N]5(CCC[NH]1CC[NH]2CCC[NH]3CC5)Cc1[n]4c2ccccc2[nH]1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].OC
• Title of publication: Cyclam-methylbenzimidazole: a Selective OFF-ON Fluorescent Sensor for Zinc
• Authors of publication: Abir El Majzoub; Cyril Cadiou; Isabelle Déchamps-Olivier; Bernard Tinant; Françoise Chuburu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4029 - 4038
• a: 8.282 ± 0.003 Å
• b: 13.35 ± 0.004 Å
• c: 11.66 ± 0.004 Å
• α: 90°
• β: 95.55 ± 0.02°
• γ: 90°
• Cell volume: 1283.1 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.1983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.352
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No