Information card for entry 4000080

Structure parameters

• Formula: C14 H12 Co N4 O10
• Calculated formula: C14 H12 Co N4 O10
• Title of publication: Organizing chain and square-grid architectures by employing coordination bonds between inorganic and organic components. New coordination polymers formed from Cd(II), Co(II) and Cu(II) nitrate salts and 1,4-bis(4-pyridyl)butadiyne
• Authors of publication: Zaman, Md. Badruz; Smith, Mark D.; zur Loye, Hans-Conrad
• Journal of publication: Chemistry of Materials
• Year of publication: 2001
• a: 22.999 ± 0.003 Å
• b: 23.338 ± 0.003 Å
• c: 7.3888 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3966.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1211
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No