Information card for entry 4320112

Structure parameters

• Formula: C80 H82 Cl4 Co5 N34 O26
• Calculated formula: C80 H72 Cl4 Co5 N34 O26
• SMILES: [Co]12345[O]6[Co]789([O]%10[Co]%11%12([O]%13[Co]%14%15%16([O]2C(=N[N]%14=C(N)c2[n]%15cccc2)c2[n]5cccc2)[N](N=C%13c2[n]%11cccc2)=C(N)c2[n]%16cccc2)([O]2[Co]5%11%13([O]1C(=N[N]5=C(N)c1[n]%11cccc1)c1[n]4cccc1)[N](N=C2c1[n]%12cccc1)=C(N)c1[n]%13cccc1)[n]1ccccc1C%10=N[N]8=C(N)c1[n]9cccc1)[N](N=C6c1[n]3cccc1)=C(N)c1[n]7cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O.N#CC.N#CC.N#CC.N#CC
• Title of publication: Pentanuclear Homoleptic M5L6 (M = Mn(II), Co(II), Zn(II)) Complexes Formed by Strict Self-Assembly
• Authors of publication: Craig J. Matthews; Laurence K. Thompson; Stewart R. Parsons; Zhiqiang Xu; David O. Miller; Sarah L. Heath
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4448 - 4454
• a: 13.3846 ± 0.0013 Å
• b: 25.797 ± 0.002 Å
• c: 28.513 ± 0.003 Å
• α: 90°
• β: 98.704 ± 0.002°
• γ: 90°
• Cell volume: 9731.7 ± 1.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.1577
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No