Information card for entry 1100143

Structure parameters

• Formula: C5 H16 Co N11 S
• Calculated formula: C5 H16 Co N11 S
• SMILES: [Co]12(N=N#N)(N=N#N)([NH2]CC[NH2]1)[NH2]CC[NH2]2.[S-]C#N
• Authors of publication: Raj Pal Sharma; Rajni Sharma; Ritu Bala; Miguel Quiros; Juan M. Salas
• Journal of publication: Journal of Coordination Chemistry
• Year of publication: 2003
• Journal volume: 56
• Pages of publication: 1581 - 1586
• a: 12.195 ± 0.0006 Å
• b: 9.0317 ± 0.0005 Å
• c: 12.6017 ± 0.0007 Å
• α: 90°
• β: 113.419 ± 0.001°
• γ: 90°
• Cell volume: 1273.63 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No