Information card for entry 4312774

Structure parameters

• Formula: C40 H36 Co N10 O2 S2
• Calculated formula: C40 H36 Co N10 O2 S2
• SMILES: [Co]([OH]C)([OH]C)([n]1cnc(cc1)/C=C/c1cc(ccc1)/C=C/c1ncncc1)([n]1cnc(cc1)/C=C/c1cc(ccc1)/C=C/c1ncncc1)(N=C=S)N=C=S
• Title of publication: Self-Assemblies of New Rigid Angular Ligands and Metal Centers toward the Rational Construction and Modification of Novel Coordination Polymer Networks
• Authors of publication: Dong Mok Shin; In Su Lee; Young Keun Chung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 8838 - 8846
• a: 9.9613 ± 0.0003 Å
• b: 10.5477 ± 0.0003 Å
• c: 11.0869 ± 0.0004 Å
• α: 65.2 ± 0.0016°
• β: 71.9521 ± 0.0015°
• γ: 74.359 ± 0.002°
• Cell volume: 992.18 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No