Information card for entry 4000082

Structure parameters

• Formula: C29 H18 Cl2 Co N6 O6
• Calculated formula: C29 H18 Cl2 Co N6 O6
• 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: 14.0364 ± 0.0012 Å
• b: 23.7595 ± 0.0019 Å
• c: 8.9706 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2991.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No