Information card for entry 2011979

Structure parameters

• Formula: C6 H22 Co N7 O6 S
• Calculated formula: C6 H22 Co N7 O6 S
• SMILES: C1C[NH2][Co]23([NH2]CC[NH2]2)([NH2]CC[NH2]3)S1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: (2-Aminoethanethiolato-<i>N</i>,<i>S</i>)bis(ethylenediamine-<i>N</i>,<i>N</i>')cobalt(III) dinitrate
• Authors of publication: Konno, Takumi; Yoshimura, Takashi; Hirotsu, Masakazu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 538 - 539
• a: 9.509 ± 0.001 Å
• b: 12.824 ± 0.001 Å
• c: 12.635 ± 0.001 Å
• α: 90°
• β: 99.78 ± 0.008°
• γ: 90°
• Cell volume: 1518.4 ± 0.2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• 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: 0.039
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes