Information card for entry 7016721

Structure parameters

• Formula: C74 H76 Cl5 Co6 N12 Na O12
• Calculated formula: C74 H76 Cl5 Co6 N12 Na O12
• SMILES: c1cccc2C[O]3[Co]4567[O]89Cc%10[n](cccc%10)[Co]%1038([n]12)[O]1Cc2[n](cccc2)[Co]2381[n]1ccccc1C[O]%102[Na]12%109[O]98Cc8[n](cccc8)[Co]8%119([n]9ccccc9C[O]38)[O]3[Co]89([O]%122[Co]2([O]41Cc1cccc[n]71)([O]5Cc1cccc[n]61)([O]8Cc1cccc[n]21)[n]1c(C%12)cccc1)([n]1ccccc1C3)[n]1ccccc1C[O]%10%119.ClCCl.ClCCl.[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: 10.2761 ± 0.0007 Å
• b: 13.5914 ± 0.0009 Å
• c: 14.2153 ± 0.0009 Å
• α: 93.097 ± 0.001°
• β: 95.183 ± 0.001°
• γ: 90.982 ± 0.001°
• Cell volume: 1973.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No