Information card for entry 7018925

Structure parameters

• Formula: C8 H101 Cu3 Ge2 Mo18 N8 Na5 O98
• Calculated formula: C8 H36 Cu3 Ge2 Mo18 N8 Na5 O98
• SMILES: C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C(C[NH3+])[NH3+].O=[Mo]123(=O)[O]4[Mo]567(=O)O[Mo]89(=[O][Cu]%10%11[O]%12[Cu]%13([O]%10[Ge]%10([O]379)[O]37[Mo]9%14(=O)(=O)[O]%15[Mo]4(=O)(=O)([O]6[Mo]43%15(=O)O[Mo]3(=O)([O]%10[Mo](O8)(O5)(=O)(=O)O3)(=O)O[Mo]7(=O)(O4)(O%14)=[O]%13)O29)[O]=[Mo]234(=O)[O]56[Ge]7%12[O]89[Mo]%10%12%13(=O)[O]%14[Mo]%159(=O)([O]9[Mo]5(=O)(=O)([O]5[Mo]6(=O)([O]%10[Mo]%1495(=O)=O)(O[Mo]5(=O)([O]7[Mo](=O)(O%12)(O[Mo]8(=O)(O%13)(O%15)=[O]%11)(=O)O5)(=O)O4)O3)O2)=O)(O1)=O.O.[Na+].O.O.O.O.O.O.O.O.O.[Na+].O.O.O.[Na+].O.O.[Na+].O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.C(C[NH3+])[NH3+].O.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: 12.68 ± 0.006 Å
• b: 13.08 ± 0.007 Å
• c: 18.38 ± 0.009 Å
• α: 109.12 ± 0.009°
• β: 93.601 ± 0.01°
• γ: 114.369 ± 0.009°
• Cell volume: 2553 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.104
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1985
• Weighted residual factors for all reflections included in the refinement: 0.2134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No