Information card for entry 7209148

Structure parameters

• Formula: C5 H6 Cd Cl3 N3 O2
• Calculated formula: C5 H6 Cd Cl3 N3 O2
• Title of publication: Tuning the formation of MOFs by pH influence: X-ray structural variations and Hirshfeld surface analyses of 2-amino-5-nitropyridine with cadmium chloride
• Authors of publication: Seth, Saikat Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 1772
• a: 29.012 ± 0.004 Å
• b: 10.4455 ± 0.0012 Å
• c: 7.1789 ± 0.0008 Å
• α: 90°
• β: 92.189 ± 0.004°
• γ: 90°
• Cell volume: 2173.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0226
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No