Information card for entry 7026556

Structure parameters

• Formula: C42 H43 Co N11 O4.5
• Calculated formula: C42 H43 Co N11 O4.5
• SMILES: [Co]1234(N(c5cnccc5)C(=O)c5[n]1c(C(=O)N2c1cnccc1)ccc5)N(c1cnccc1)C(=O)c1[n]3c(C(=O)N4c2cnccc2)ccc1.[N+](CC)(CC)(CC)CC.O
• 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: 10.2583 ± 0.0007 Å
• b: 13.8731 ± 0.0006 Å
• c: 28.5219 ± 0.0016 Å
• α: 89.676 ± 0.004°
• β: 81.893 ± 0.005°
• γ: 80.586 ± 0.005°
• Cell volume: 3963.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No