Information card for entry 4305252

Structure parameters

• Common name: 2[DBA][Cd9Cl10] + 2H2O
• Formula: C16 H44 Cd9 Cl20 N2 O2
• Calculated formula: C16 H44 Cd9 Cl20 N2 O2
• Title of publication: Structures of [(n-C4H9)2NH2]2Cd9Cl20.2H2O and [Cu(C14H24N4)]2Cu13Cl30(H2O)2.xH2O: Perforated Layer Structures Based on the CdCl2 Layer Network
• Authors of publication: Adrienne A. Thorn; Roger D. Willett; Brendan Twamley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5775 - 5779
• a: 9.9812 ± 0.0011 Å
• b: 10.1132 ± 0.0011 Å
• c: 13.3633 ± 0.0015 Å
• α: 71.15 ± 0.002°
• β: 86.149 ± 0.002°
• γ: 86.137 ± 0.002°
• Cell volume: 1272.2 ± 0.2 ų
• Cell temperature: 86 ± 2 K
• Ambient diffraction temperature: 86 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No