Information card for entry 4348249

Structure parameters

• Formula: C19 H26 Cl Co N12 O5
• Calculated formula: C19 H26 Cl Co N12 O5
• SMILES: [Co]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)(n1nc(nn1)c1ccccc1)n1nnc(n1)c1ccccc1.Cl(=O)(=O)(=O)[O-].OC
• Title of publication: The effect of remote substitution on the formation of preferential isomers of cobalt(iii)-tetrazolate complexes by microwave assisted cycloaddition
• Authors of publication: Saha, Manideepa; Nasani, Rajendar; Das, Mriganka; Mobin, Shaikh M.; Pathak, Biswarup; Mukhopadhyay, Suman
• Journal of publication: Inorg. Chem. Front.
• Year of publication: 2014
• Journal volume: 1
• Journal issue: 8
• Pages of publication: 599
• a: 13.0541 ± 0.0004 Å
• b: 13.3594 ± 0.0007 Å
• c: 14.832 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2586.63 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No