Information card for entry 4309177

Structure parameters

• Formula: C40 H28 Co N6 O8
• Calculated formula: C40 H28 Co N6 O8
• SMILES: [OH2][Co]([OH2])(ON(=O)=O)(ON(=O)=O)([n]1cccc(c1)C#Cc1ccc(cc1)C#Cc1cnccc1)[n]1cccc(c1)C#Cc1ccc(cc1)C#Cc1cccnc1
• Title of publication: Synthesis and Characterization of Diverse Coordination Polymers. Linear and Zigzag Chains Involving Their Structural Transformation via Intermolecular Hydrogen-Bonded, Interpenetrating Ladders Polycatenane, and Noninterpenetrating Square Grid from Long, Rigid N,N'-Bidentate Ligands: 1,4-Bis[(x-pyridyl)ethynyl]benzene (x= 3 and 4)
• Authors of publication: Md. Badruz Zaman; Konstantin Udachin; John A. Ripmeester; Mark D. Smith; Hans-Conrad zur Loye
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5047 - 5059
• a: 7.4928 ± 0.0005 Å
• b: 8.948 ± 0.0005 Å
• c: 14.8543 ± 0.0009 Å
• α: 100.427 ± 0.001°
• β: 97.324 ± 0.001°
• γ: 110.901 ± 0.001°
• Cell volume: 894.81 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No