Information card for entry 4324957

Structure parameters

• Formula: C18 H30 Cd N8 O6
• Calculated formula: C18 H30 Cd N8 O6
• SMILES: [Cd]1234([NH]5CCC[N]1(CC[NH]2CCC[NH]3CC5)Cc1[n]4c2ccccc2[nH]1)ON(=O)=O.O=N(=O)[O-]
• 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: 24.0508 ± 0.0014 Å
• b: 24.0508 Å
• c: 8.8378 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5112.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 106
• Hermann-Mauguin space group symbol: P 42 b c
• Hall space group symbol: P 4c -2ab
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No