Information card for entry 7026557

Structure parameters

• Formula: C42 H42 Co N11 O4
• Calculated formula: C42 H42 Co N11 O4
• SMILES: c1cc2[n]3[Co]45(N(C2=O)c2ccncc2)(N(C(=O)c3c1)c1ccncc1)N(C(=O)c1cccc([n]51)C(=O)N4c1ccncc1)c1ccncc1.CC[N+](CC)(CC)CC
• Title of publication: Cobalt complexes as the building blocks: {Co3±Zn2+} heterobimetallic networks and their properties.
• Authors of publication: Singh, Amit Pratap; Ali, Afsar; Gupta, Rajeev
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 35
• Pages of publication: 8135 - 8138
• a: 17.101 ± 0.005 Å
• b: 10.454 ± 0.005 Å
• c: 23.321 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90.893 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4169 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2308
• Weighted residual factors for all reflections included in the refinement: 0.2383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No