Information card for entry 4000079

Structure parameters

• Formula: C15 H12 Cd Cl2 N4 O7
• Calculated formula: C15 H12 Cd Cl2 N4 O7
• 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: 28.135 ± 0.003 Å
• b: 8.4347 ± 0.0009 Å
• c: 17.6423 ± 0.0019 Å
• α: 90°
• β: 91.797 ± 0.002°
• γ: 90°
• Cell volume: 4184.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No