Information card for entry 4504029

Structure parameters

• Formula: C11 H12 Cu N4 O6 S
• Calculated formula: C11 H12 Cu N4 O6 S
• Title of publication: Remarkably Stable Porous Assembly of Nanorods Derived from a Simple Metal−Organic Framework
• Authors of publication: Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 205
• a: 4.9618 ± 0.0014 Å
• b: 16.979 ± 0.005 Å
• c: 18.354 ± 0.005 Å
• α: 90°
• β: 91.968 ± 0.005°
• γ: 90°
• Cell volume: 1545.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No