Information card for entry 2005530

Structure parameters

• Chemical name: trans-tetraaquobis(tricyanomelamine)cobalt(II) hexahydrate
• Formula: C12 H24 Co N18 O10
• Calculated formula: C12 H24 Co N18 O10
• SMILES: [Co]([OH2])(N=C=NC1NC(NC(N=1)=NC#N)=NC#N)(N=C=NC1NC(NC(N=1)=NC#N)=NC#N)([OH2])([OH2])[OH2].O.O.O.O.O.O
• Title of publication: <i>trans</i>-Tetraaquabis(<i>N</i>,<i>N</i>',<i>N</i>''-tricyanomelamine)cobalt(II) Hexahydrate
• Authors of publication: Abrahams, B. F.; Egan, S. J.; Hoskins, B. F.; Robson, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2427 - 2429
• a: 6.663 ± 0.002 Å
• b: 6.861 ± 0.003 Å
• c: 15.721 ± 0.002 Å
• α: 93.16 ± 0.03°
• β: 94.31 ± 0.02°
• γ: 111.13 ± 0.03°
• Cell volume: 665.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections: 0.1006
• Weighted residual factors for significantly intense reflections: 0.1004
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No