Information card for entry 7034646

Structure parameters

• Formula: C40 H65 Cl3 Co2 N8 O16
• Calculated formula: C40 H65 Cl3 Co2 N8 O16
• Title of publication: Inducing magnetic communication in caged dinuclear Co(ii) systems.
• Authors of publication: Caballero-Jiménez, Judith; Habib, Fatemah; Ramírez-Rosales, Daniel; Grande-Aztatzi, Rafael; Merino, Gabriel; Korobkov, Ilia; Singh, Mukesh Kumar; Rajaraman, Gopalan; Reyes-Ortega, Yasmi; Murugesu, Muralee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 18
• Pages of publication: 8649 - 8659
• a: 11.8993 ± 0.0004 Å
• b: 12.1898 ± 0.0005 Å
• c: 18.1111 ± 0.0006 Å
• α: 101.54 ± 0.002°
• β: 100.071 ± 0.002°
• γ: 94.943 ± 0.002°
• Cell volume: 2514.19 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1496
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2103
• Weighted residual factors for all reflections included in the refinement: 0.2547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No