Information card for entry 4505691

Structure parameters

• Formula: C12 H9 Co0.5 N6 S
• Calculated formula: C12 H9 Co0.5 N6 S
• Title of publication: Construction of Cylindrical Nanotubular Materials by Self-Assembly of Co(NCS)2with Bent-Building Blocks Having Diimidazole Rings
• Authors of publication: Son, Seung Uk; Park, Kang Hyun; Kim, Bo Yun; Chung, Young Keun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2003
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 507
• a: 11.123 ± 0.001 Å
• b: 9.217 ± 0.001 Å
• c: 12.868 ± 0.001 Å
• α: 90°
• β: 95.967 ± 0.002°
• γ: 90°
• Cell volume: 1312.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No