Information card for entry 7017393

Structure parameters

• Formula: C71 H56 Cl Co4 N27 O10 Se7
• Calculated formula: C71 H44 Cl Co4 N27 O10 Se7
• Title of publication: Self-assembled Co(ii) molecular squares incorporating the bridging ligand 4,7-phenanthrolino-5,6:5',6'-pyrazine.
• Authors of publication: Li, Feng; Clegg, Jack K.; D'Alessandro, Deanna M; Goux-Capes, Laurence; Sciortino, Natasha F.; Keene, Tony D.; Kepert, Cameron J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12388 - 12393
• a: 17.5332 ± 0.0008 Å
• b: 25.5771 ± 0.0012 Å
• c: 18.536 ± 0.0009 Å
• α: 90°
• β: 90.479 ± 0.002°
• γ: 90°
• Cell volume: 8312.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0947
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No