Information card for entry 4506780

Structure parameters

• Formula: C12 H17 Cd Cl N2 O3
• Calculated formula: C12 H17 Cd Cl N2 O3
• Title of publication: Variable Water Adsorption in Amino Acid Derivative Based Homochiral Metal Organic Frameworks
• Authors of publication: Kundu, Tanay; Sahoo, Subash Chandra; Banerjee, Rahul
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 4633
• a: 7.123 ± 0.003 Å
• b: 13.896 ± 0.005 Å
• c: 15.893 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1573.1 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No