Information card for entry 7014104

Structure parameters

• Formula: C6 H152 Mo8 Na12 O118 P8
• Calculated formula: C6 Mo8 Na12 O80 P8
• SMILES: C1P2(=O)O[Mo]345(O[Mo]674(OP4(=O)CP(=O)(O7)O[Mo]789(O4)(O[Mo]4%108(O7)([O]=C(O9)O[Mo]789(O[Mo]%119(O8)(OP(=O)(CP(=O)(O%11)O%10)O4)=O)(OP4(=O)CP(=O)(O7)O[Mo]789(O4)(O[Mo]8([O]=C(O6)O9)(O7)(OP1(=O)O5)(O2)=O)=O)=O)=O)=O)(O3)=O)=O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Template synthesis of [(Mo(V)2O4)(O3PCH2PO3)]n clusters (n = 3, 4, 10): solid state and solution studies.
• Authors of publication: du Peloux, Charlotte; Dolbecq, Anne; Mialane, Pierre; Marrot, Jérôme; Sécheresse, Francis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1259 - 1263
• a: 17.8486 ± 0.0003 Å
• b: 14.197 ± 0.0003 Å
• c: 17.9916 ± 0.0004 Å
• α: 90°
• β: 117.98 ± 0.001°
• γ: 90°
• Cell volume: 4026.11 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No