Information card for entry 1564330

Structure parameters

• Formula: C34 H28 Cu2 N12 O12
• Calculated formula: C34 H28 Cu2 N12 O12
• SMILES: c1cccc2[n]1[Cu]13([n]4c(cc(n24)C)C(=O)N[N]1=Cc1cccc(O)c1O3)ON(=O)=O
• Title of publication: A bio-compatible pyridine-pyrazole hydrazide based compartmental receptor for Al³⁺ sensing and its application in cell imaging.
• Authors of publication: Das, Bhriguram; Dolai, Malay; Ghosh, Avijit; Dhara, Anamika; Mahapatra, Ananya Das; Chattopadhyay, Debprasad; Mabhai, Subhabrata; Jana, Atanu; Dey, Satyajit; Misra, Ajay
• Journal of publication: Analytical methods : advancing methods and applications
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 37
• Pages of publication: 4266 - 4279
• a: 8.4663 ± 0.0013 Å
• b: 9.2044 ± 0.0014 Å
• c: 11.8424 ± 0.0018 Å
• α: 73.774 ± 0.002°
• β: 70.534 ± 0.002°
• γ: 80.563 ± 0.002°
• Cell volume: 832.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No