Information card for entry 7021519

Structure parameters

• Formula: C48 H52 Cl4 Co4 N10 O19
• Calculated formula: C48 H52 Cl4 Co4 N10 O19
• SMILES: c1cccc2[n]1[Co]134([NH]5CC[O]1[Co]167([n]8c(c9[n]1cccc9)cccc8)[OH]1[Co]89%10([n]%11c(c%12cccc[n]8%12)cccc%11)[NH](CC[O]79)CC[O]%10[Co]71([n]1c(c8[n]7cccc8)cccc1)([OH]36)[O]4CC5)[n]1c2cccc1.[Cl-].[Cl-].O.O.O.O.O.O.O.[Cl-].[Cl-].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: 18.199 ± 0.005 Å
• b: 15.471 ± 0.005 Å
• c: 24.134 ± 0.005 Å
• α: 90 ± 0.005°
• β: 111.657 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6315 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2136
• Weighted residual factors for all reflections included in the refinement: 0.2454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No