Information card for entry 7018924

Structure parameters

• Formula: C4 H53 Cu2 Ge2 Mo18 N4 Na O79
• Calculated formula: C4 H20 Cu2 Ge2 Mo18 N4 Na O79
• SMILES: C(C[NH3+])[NH3+].O1[Cu]23[O]4[Cu]5([O]=[Mo]678(O[Mo]9%10([O]%11[Mo]%12%13([O]%14%15[Ge]%16([O]6%10[Mo]6%10([O]9[Mo]9%11([O]%12[Mo]%11%14(=O)(O[Mo]%12(O[Mo]=1%15(=O)(O%13)O%11)(O[Mo](O%10)(O8)(=O)(=O)[O]%16%12)(=O)=O)[O]69)(=O)=O)(=O)O7)[O]25)(=O)=O)(=O)=O)=O)[O]=[Mo]125(=O)O[Mo]67([O]85[Ge]54[O]4[Mo]9%10(O[Mo]4(O2)(=O)(=O)O[Mo]28(O1)([O]7[Mo]14([O]6[Mo]67(=O)(=O)O[Mo]8(O9)(=[O]3)(=O)[O]57[Mo]([O]16)([O]24)(=O)(O8)O%10)(=O)=O)=O)(=O)=O)(=O)=O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.C(C[NH3+])[NH3+].O
• Title of publication: Four di-Cu(II)-substituted sandwich-type germanomolybdates obtained under different reaction conditions: from zero-dimensional to two-dimensional structure.
• Authors of publication: Li, Suzhi; Guo, Yuan Yuan; Zhang, Dongdi; Ma, Pengtao; Qiu, Xiaoyang; Wang, Jingping; Niu, Jingyang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 17
• Pages of publication: 5235 - 5240
• a: 32.627 ± 0.008 Å
• b: 11.861 ± 0.003 Å
• c: 22.294 ± 0.006 Å
• α: 90°
• β: 96.013 ± 0.005°
• γ: 90°
• Cell volume: 8580 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No