Information card for entry 7026159

Structure parameters

• Formula: C48 H72 Cl6 Co3 N8 O4
• Calculated formula: C48 H72 Cl6 Co3 N8 O4
• SMILES: c1[n](ccc(c1)C(=O)N(C(C)C)C(C)C)[Co](Cl)(Cl)Cl.n1ccc(cc1)C(N(C(C)C)C(C)C)=[O][Co][O]=C(N(C(C)C)C(C)C)c1ccncc1.c1cc(cc[n]1[Co](Cl)(Cl)Cl)C(=O)N(C(C)C)C(C)C
• Title of publication: First report on N,N'-diisoalkylisonicotinamide 1D coordination network containing linear trinuclear [Co3L4Cl6] units with mixed Co(II)(Td)-Co(II)(Oh)-Co(II)(Td) geometries: structure and magnetic properties.
• Authors of publication: Kapoor, Pratibha; Pannu, Ajay Pal Singh; Hundal, Geeta; Kapoor, Ramesh; Corbella, Montserrat; Aliaga-Alcalde, Núria; Hundal, Maninder Singh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 34
• Pages of publication: 7951 - 7959
• a: 7.842 ± 0.005 Å
• b: 11.799 ± 0.005 Å
• c: 32.729 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.93 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3028 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2174
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2149
• Weighted residual factors for all reflections included in the refinement: 0.2876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No