Information card for entry 7016720

Structure parameters

• Formula: C76 H80 Cl10 Co7 N12 O12
• Calculated formula: C76 H80 Cl10 Co7 N12 O12
• SMILES: c1ccc2C[O]34[Co]5678[O]9%10Cc%11[n](cccc%11)[Co]%11%1239[n]3ccccc3C[O]%11[Co]39%11%10[n]%10ccccc%10C[O]89[Co]89%10([n]%13ccccc%13C[O]59[Co]59%13([n]%14ccccc%14C[O]69[Co]69%14([n]%15ccccc%15C[O]79[Co]74([n]2c1)([n]1ccccc1C[O]%127)[O]%14Cc1[n]6cccc1)[O]%13Cc1[n]5cccc1)[O]%10Cc1[n]8cccc1)[O]%11Cc1[n]3cccc1.C(Cl)Cl.C(Cl)Cl.[Cl-].C(Cl)Cl.C(Cl)Cl.[Cl-]
• Title of publication: Synthesis, characterization, and single-molecule metamagnetism of new Co(ii) polynuclear complexes of pyridine-2-ylmethanol.
• Authors of publication: Pattacini, Roberto; Teo, Peili; Zhang, Jun; Lan, Yanhua; Powell, Annie K.; Nehrkorn, Joscha; Waldmann, Oliver; Hor, T. S. Andy; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 40
• Pages of publication: 10526 - 10534
• a: 12.495 ± 0.007 Å
• b: 14.18 ± 0.001 Å
• c: 14.571 ± 0.001 Å
• α: 61.785 ± 0.003°
• β: 73.167 ± 0.004°
• γ: 75.014 ± 0.004°
• Cell volume: 2154.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.2014
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No