Information card for entry 2228237

Structure parameters

• Chemical name: Dipotassium tetraaquabis[3,5-bis(dicyanomethylene)cyclopentane-1,2,4-trionato(1-)- κ<i>N</i>]cobaltate(II)
• Formula: C22 H8 Co K2 N8 O10
• Calculated formula: C22 H8 Co K2 N8 O10
• SMILES: C1(=C(C#N)C#N)C(C(C([O-])=C1[O-])=C(C#[N][Co]([OH2])([N]#CC(=C1C(C(=C(C#N)C#N)C([O-])=C1[O-])=O)C#N)([OH2])([OH2])[OH2])C#N)=O.[K+].[K+]
• Title of publication: Dipotassium tetraaquabis[3,5-bis(dicyanomethylene)cyclopentane-1,2,4-trionato(1{-})-κ<i>N</i>]cobaltate(II)
• Authors of publication: Chagas, Luciano Honorato; Janczak, Jan; Machado, Flavia C.; de Oliveira, Luiz Fernando C.; Diniz, Renata
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m1673 - m1674
• a: 9.406 ± 0.0019 Å
• b: 7.011 ± 0.0014 Å
• c: 19.493 ± 0.004 Å
• α: 90°
• β: 92.58 ± 0.03°
• γ: 90°
• Cell volume: 1284.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections: 0.912
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes