Information card for entry 2202562

Structure parameters

• Common name: tetramolybdenumcobaltdiphosphonate
• Chemical name: octasodium(I) cobalt(II) tetramolybdenum(VI) bis(1-hydroxyethylidenediphosphate) octadecahydrate
• Formula: C4 H42 Co Mo4 Na8 O44 P4
• Calculated formula: C4 H6 Co Mo4 Na8 O44 P4
• SMILES: O1[Mo]23(O[Co]456(OP7(=O)C8(C)O[Mo]1([O]27)([O]3P8(=O)O5)(=O)=O)OP1(=O)C2(C)O[Mo]35([O]1[Mo]([O]3P2(=O)O6)(O5)(O4)(=O)=O)(=O)=O)(=O)=O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O
• Title of publication: A new tetramolybdenumcobaltdiphosphonate, Na~8~[CoMo~4~O~12~{MeC(O)(PO~3~)~2~}~2~]·18H~2~O
• Authors of publication: Ren, Shuhua; Xue, Ganglin; Li, Jun; Shi, Qizhen; Wang, Daqi; Wang, Jiwu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: m759 - m761
• a: 9.66 ± 0.003 Å
• b: 22.381 ± 0.008 Å
• c: 10.441 ± 0.004 Å
• α: 90°
• β: 99.049 ± 0.005°
• γ: 90°
• Cell volume: 2229.3 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.0765
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes