Information card for entry 4348246

Structure parameters

• Formula: C19 H24 Co N16 O4
• Calculated formula: C19 H24 Co N16 O4
• SMILES: [Co]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)(n1nc(nn1)c1cccnc1)n1nnc(n1)c1cccnc1.N(=O)(=O)[O-].O=CN(C)C
• 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: 18.5537 ± 0.0005 Å
• b: 20.4481 ± 0.0007 Å
• c: 14.4208 ± 0.0005 Å
• α: 90°
• β: 91.001 ± 0.003°
• γ: 90°
• Cell volume: 5470.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No