Information card for entry 7103625

Structure parameters

• Common name: 1
• Formula: C12 H11 Cd N4 O4.5
• Calculated formula: C12 H10 Cd N4 O4.5
• Title of publication: Crystal engineering toward intersecting channels in a interpenetrated diamondoid network based on a net-to-net H-bonding interaction
• Authors of publication: Liu, Yen-Hsiang; Wu, Huang-Chun; Lin, Hsiu-Mei; Hou, Wei-Hsien; Lu, Kuang-Lieh
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 60 - 61
• a: 18.569 ± 0.003 Å
• b: 18.569 ± 0.003 Å
• c: 23.042 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7945 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1042
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.2154
• Weighted residual factors for all reflections included in the refinement: 0.2279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No