Information card for entry 4339654

Structure parameters

• Formula: C28 H30 Co I4 N4 O4
• Calculated formula: C28 H30 Co I4 N4 O4
• SMILES: OC.[Co]1234([n]5ccccc5C[NH]1Cc1cc(I)cc(I)c1O3)[n]1ccccc1C[NH]2Cc1cc(I)cc(I)c1O4.OC
• Title of publication: Archetypical modeling and amphiphilic behavior of cobalt(II)-containing soft-materials with asymmetric tridentate ligands.
• Authors of publication: Shakya, Rajendra; Hindo, Sarmad Sahiel; Wu, Libo; Allard, Marco M.; Heeg, Mary Jane; Hratchian, Hrant P.; McGarvey, Bruce R.; da Rocha, Sandro R. P.; Verani, Claudio N.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9808 - 9818
• a: 12.5495 ± 0.0005 Å
• b: 11.1716 ± 0.0004 Å
• c: 12.3229 ± 0.0004 Å
• α: 90°
• β: 97.435 ± 0.001°
• γ: 90°
• Cell volume: 1713.12 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0233
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No