Information card for entry 7020970

Structure parameters

• Formula: C10 H54 Mn2 Na8 O62 W8
• Calculated formula: C10 H6 Mn2 Na8 O62 W8
• SMILES: C(#[O])[Mn]12([O]3[W]456(=O)[O]1[W]17(=O)(=O)[O]2[W]3([O]51)(=O)(=O)O[W]1(O4)(=O)(=O)O[W]234(=O)[O]5[W]8(=O)(=O)([O]9[W]([O]2[Mn]59(C#[O])(C#[O])C#[O])([O]48)(=O)(=O)O[W](O3)(=O)(=O)(O6)O7)O1)(C#[O])C#[O].CC(=O)[O-].[Na+].[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.CC(=O)[O-].[Na+].[Na+].O.[Na+].O.[Na+].[Na+].O.O.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: 9.491 ± 0.002 Å
• b: 12.29 ± 0.003 Å
• c: 13.967 ± 0.003 Å
• α: 71.437 ± 0.003°
• β: 87.357 ± 0.003°
• γ: 71.161 ± 0.003°
• Cell volume: 1458.8 ± 0.6 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: 0.0684
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No