Information card for entry 2201460

Structure parameters

• Formula: C20 H48 Co3 K4 Mo8 N4 O54
• Calculated formula: C20 H48 Co3 K4 Mo8 N4 O54
• SMILES: C1C(=O)O[Co]2345[N]1(CC[N]2(CC(=O)O5)CC(O3)=O)CC(=O)O4.[O]=[Mo]123([O]4[Mo]567([O]8[Mo]9%10(O[Mo]%11(O[Mo]%12%13([O]3[Mo]34(=O)(O[Mo]4(O[Mo]8([O]9%12)([O]5%1334)(=O)=O)(O6)(=O)=O)=O)([O]17%10%11)=O)(O2)(=O)=O)(=O)=O)=O)=O.[Co]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.C1C(=O)O[Co]2345[N]1(CC(=O)O4)CC[N]2(CC(=O)O5)CC(O3)=O.[K+].[K+].[K+].[K+].O.O.O
• Title of publication: Hexaaquacobalt(II) tetrapotassium diethylenediaminetetraacetato(4‒)cobaltate(III) β-octamolybdate hexahydrate
• Authors of publication: Lee, Uk; Joo, Hea-Chung; Cho, Mi-Ae
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: m599 - m601
• a: 8.3607 ± 0.0008 Å
• b: 10.685 ± 0.002 Å
• c: 16.922 ± 0.001 Å
• α: 90.32 ± 0.01°
• β: 95.86 ± 0.02°
• γ: 100.79 ± 0.01°
• Cell volume: 1476.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes