Information card for entry 7020969

Structure parameters

• Formula: C6 H50 Mo8 N4 O50 Re2
• Calculated formula: C6 Mo8 N4 O50 Re2
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[O]3[Mo]456([O]2[Mo]27([O]1[Mo]3([O]47)(O[Mo]1(O[Mo]34([O]7[Mo]89([O]%10[Mo]([O]3[Re]7%10(C#[O])(C#[O])C#[O])(=O)([O]49)(O[Mo](O2)(O8)(O6)(=O)=O)O1)(=O)=O)(=O)=O)(O5)(=O)=O)(=O)=O)(=O)=O)=O.[NH4+].[NH4+].O.O.O.O.O.O.O.[NH4+].[NH4+].O.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: 10.57 ± 0.003 Å
• b: 15.425 ± 0.004 Å
• c: 15.933 ± 0.004 Å
• α: 90°
• β: 91.29 ± 0.004°
• γ: 90°
• Cell volume: 2597.1 ± 1.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No