Information card for entry 7034650

Structure parameters

• Formula: C37 H58 Br Cl3 Co2 N8 O13
• Calculated formula: C37 H58 Br Cl3 Co2 N8 O13
• 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: 24.3318 ± 0.0007 Å
• b: 17.6327 ± 0.0005 Å
• c: 10.6002 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4547.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No