Information card for entry 4111137

Structure parameters

• Common name: Co(44-pyrdpm)~3~
• Formula: C145 H113 Cl3 Co2 N18
• Calculated formula: C145 H113 Cl3 Co2 N18
• SMILES: c1ccc2C(=c3ccc[n]3[Co]34(n12)([n]1cccc1=C(c1cccn31)c1ccc(cc1)C#Cc1ccncc1)[n]1cccc1=C(c1cccn41)c1ccc(cc1)C#Cc1ccncc1)c1ccc(cc1)C#Cc1ccncc1.CCCCCC.C(Cl)(Cl)Cl
• Title of publication: Topological Control in Heterometallic Metal-Organic Frameworks by Anion Templating and Metalloligand Design
• Authors of publication: Sara R. Halper; Loi Do; Jay R. Stork; Seth M. Cohen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 15255 - 15268
• a: 15.2681 ± 0.0012 Å
• b: 20.2619 ± 0.0016 Å
• c: 21.5668 ± 0.0017 Å
• α: 69.49 ± 0.001°
• β: 84.285 ± 0.001°
• γ: 87.069 ± 0.002°
• Cell volume: 6217 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1666
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No