Information card for entry 7020968

Structure parameters

• Formula: C6 H46 Mn2 Mo8 N4 O48
• Calculated formula: C6 Mn2 Mo8 N4 O48
• SMILES: C([Mn]12(C#[O])(C#[O])[O]3[Mo]456(=O)O[Mo]78(O[Mo]9%10%11(=O)O[Mo](O4)(O[Mo]4%12([O]9[Mn]9(C#[O])(C#[O])(C#[O])[O]%11[Mo]([O]%104)([O]%129)(=O)(=O)O8)(=O)=O)(O[Mo]4([O]5[Mo]3(=O)([O]24)(O7)=O)([O]16)(=O)=O)(=O)=O)(=O)=O)#O.[NH4+].[NH4+].O.O.O.O.O.O.[NH4+].[NH4+].O.O.O.O.O.O
• Title of publication: Octamolybdate-supported tricarbonyl metal derivatives: [{H(2)Mo(8)O(30)}{M(CO)(3)}(2)](8-) (M = Mn(I) and Re(I)).
• Authors of publication: Zhang, Dongdi; Zhao, Juan; Zhang, Yanhui; Hu, Xiaojing; Li, Longsheng; Ma, Pengtao; Wang, Jingping; Niu, Jingyang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 2696 - 2699
• a: 9.348 ± 0.005 Å
• b: 11.652 ± 0.006 Å
• c: 13.167 ± 0.007 Å
• α: 110.481 ± 0.007°
• β: 94.255 ± 0.008°
• γ: 112.6 ± 0.006°
• Cell volume: 1203.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No