Information card for entry 3500004

Structure parameters

• Formula: C12 H12 Co N10 O2 S2
• Calculated formula: C12 H12 Co N10 O2 S2
• SMILES: S=C=N[Co]([n]1cnn2c1nccc2)([n]1cnn2c1nccc2)(N=C=S)([OH2])[OH2]
• Authors of publication: Abderrahman Rahmani; M. Angustias Romero; Miguel Quirós; Juan M. Salas; René Faure
• Journal of publication: Personal communication to COD
• Year of publication: 2011
• a: 9.023 ± 0.001 Å
• b: 12.463 ± 0.001 Å
• c: 14.771 ± 0.001 Å
• α: 90°
• β: 147.229 ± 0.005°
• γ: 90°
• Cell volume: 899.1 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0239
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No