Information card for entry 7021520

Structure parameters

• Formula: C56 H52 Cl4 Co4 N10 O20
• Calculated formula: C56 H52 Cl4 Co4 N10 O20
• SMILES: [NH]12CC[O]3[Co]452([n]2cccc6ccc7ccc[n]4c7c26)[O](CC1)[Co]124([n]6cccc7ccc8ccc[n]1c8c67)[O]1CC[NH]6CC[O]7[Co]83([n]3cccc9ccc%10ccc[n]8c%10c39)([OH]52)[OH]4[Co]2167[n]1cccc3ccc4ccc[n]2c4c13.[Cl-].[Cl-].O.O.O.O.O.O.O.[Cl-].[Cl-].O.O.O.O.O.O.O
• Title of publication: Synthesis, crystal structure and magnetic studies of tetranuclear hydroxo and ligand bridged [Co4(μ3-OH)2(μ2-dea)2(L-L)4]4Cl·8H2O [L-L = 2,2'-bipyridine or 1,10-phenanthroline] complexes with mixed valence defect dicubane core.
• Authors of publication: Siddiqi, Zafar A.; Siddique, Armeen; Shahid, M.; Khalid, Mohd; Sharma, Prashant K.; Anjuli,; Ahmad, Musheer; Kumar, Sarvendra; Lan, Yanhua; Powell, Annie K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9513 - 9522
• a: 15.483 ± 0.002 Å
• b: 13.791 ± 0.002 Å
• c: 15.873 ± 0.002 Å
• α: 90°
• β: 99.667 ± 0.002°
• γ: 90°
• Cell volume: 3341.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No