Information card for entry 4345678

Structure parameters

• Formula: C111 H126 Cl11 N12 O2 Zn4
• Calculated formula: C111 H126 Cl11 N12 O2 Zn4
• Title of publication: A Functional Zn(II) Metallacycle Formed from an N-Heterocyclic Carbene Precursor: A Molecular Sensor for Selective Recognition of Fe(3+) and IO4(-) Ions.
• Authors of publication: Kumar, Girijesh; Guda, Ramu; Husain, Ahmad; Bodapati, Ramakrishna; Das, Samar K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 5017 - 5025
• a: 15.443 ± 0.012 Å
• b: 16.958 ± 0.013 Å
• c: 16.998 ± 0.013 Å
• α: 65.686 ± 0.009°
• β: 71.588 ± 0.009°
• γ: 73.124 ± 0.009°
• Cell volume: 3782 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.1766
• Residual factor for significantly intense reflections: 0.131
• Weighted residual factors for significantly intense reflections: 0.3751
• Weighted residual factors for all reflections included in the refinement: 0.4032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.548
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No