Information card for entry 7034651

Structure parameters

• Formula: C44.5 H60 Cl0.5 Co3 N13.5 O5 S4.5
• Calculated formula: C44.5 H60 Cl0.5 Co3 N13.5 O5 S4.5
• 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: 11.2372 ± 0.0006 Å
• b: 14.505 ± 0.0008 Å
• c: 16.5974 ± 0.0009 Å
• α: 90°
• β: 92.909 ± 0.003°
• γ: 90°
• Cell volume: 2701.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No