Information card for entry 7111393

Structure parameters

• Formula: Cl14 Co6 H58 N14 O14 Zn4
• Calculated formula: Cl14 Co6 H58 N14 O14 Zn4
• SMILES: [NH3][Co]1234([NH3])([NH3])[O]5[Co]6789%103([OH]2)([OH][Co]7([NH3])([NH3])([NH3])([NH3])[OH]6)[O]2[Co]39([NH3])([NH3])([NH3])([OH]8)[OH][Co]6745%1023([OH]1)[OH][Co]7([NH3])([NH3])([NH3])([NH3])[OH]6.O.Cl[Zn](Cl)([Cl-])[Cl-].Cl[Zn](Cl)([OH2])Cl.O.[OH2][Zn](Cl)(Cl)Cl.Cl[Zn](Cl)([Cl-])[Cl-]
• Title of publication: The rediscovery of Alfred Werner's second hexol
• Authors of publication: Jackson, W. Gregory; McKeon, Josephine A.; Zehnder, Margareta; Neuberger, Markus; Fallab, Silvio
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 20
• Pages of publication: 2322 - 2323
• a: 10.4258 ± 0.0005 Å
• b: 10.8203 ± 0.0011 Å
• c: 12.1234 ± 0.0005 Å
• α: 114.307 ± 0.007°
• β: 105.416 ± 0.006°
• γ: 94.686 ± 0.008°
• Cell volume: 1172.79 ± 0.17 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0238
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for all reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections included in the refinement: 0.0263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No