Information card for entry 7022689

Structure parameters

• Formula: C20 H194 Cu5 Ge8 N20 Na10 Nb32 O163
• Calculated formula: C20 H64 Cu5 Ge8 N20 Na10 Nb32 O140
• SMILES: [Nb]12345(O[Nb]678([O]9%10[Nb]%11%12%13([O]%14[Nb]%159(O[Nb]9%16(=O)([O]%171[Ge]1%10O[Ge]%10%18[O]%19%20[Nb]%21%22%23(O%11)[O]%11[Nb]%24%25%20(O[Nb]%20%26(=O)([O]%27%10[Nb]%10%28(O[Nb]%19(=O)(O[Nb]%19([O]%12%18[Nb]%12%14([O]%15[Ge](O9)([O-])O[Nb]%27(O%20)(=O)(O%12)O%28)(=O)O%19)(O%10)(=O)O%13)(O%25)O%21)(=O)O%26)O[Ge]9([O]%24[Nb]%10%11([O]1%22[Nb](O6)(O4)(=O)(O%10)O%23)(O[Nb]3%17(O%16)(=O)(O9)O5)=O)[O-])=O)O2)(=O)O7)O8)=O)=O.[Nb]12345(O[Nb]678([O]9%10[Nb]%11%12%13([O]%14[Nb]%159(O[Nb]9%16(=O)([O]%171[Ge]1%10O[Ge]%10%18[O]%19%20[Nb]%21%22%23(O%11)[O]%11[Nb]%24%25%20(O[Nb]%20%26(=O)([O]%27%10[Nb]%10%28(O[Nb]%19(=O)(O[Nb]%19([O]%12%18[Nb]%12%14([O]%15[Ge](O9)([O-])O[Nb]%27(O%20)(=O)(O%12)O%28)(=O)O%19)(O%10)(=O)O%13)(O%25)O%21)(=O)O%26)O[Ge]9([O]%24[Nb]%10%11([O]1%22[Nb](O6)(O4)(=O)(O%10)O%23)(O[Nb]3%17(O%16)(=O)(O9)O5)=O)[O-])=O)O2)(=O)O7)O8)=O)=O.[Cu]12([OH2])([NH2]CC[NH2]1)([OH2])[NH2]CC[NH2]2.[Cu]12([OH2])([NH2]CC[NH2]1)([OH2])[NH2]CC[NH2]2.[Cu]12([OH2])([NH2]CC[NH2]1)([OH2])[NH2]CC[NH2]2.[Cu]12([OH2])([NH2]CC[NH2]1)([OH2])[NH2]CC[NH2]2.[Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Self-assembly and photocatalytic property of germanoniobate [H6Ge4Nb16O56]10-: encapsulating four {GeO4} tetrahedra within a {Nb16} cage.
• Authors of publication: Shen, Jian-Qiang; Yao, Shuang; Zhang, Zhi-Ming; Wu, Hai-Hong; Zhang, Tian-Zhan; Wang, En-Bo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5812 - 5817
• a: 15.104 ± 0.003 Å
• b: 25.92 ± 0.005 Å
• c: 30.28 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11854 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.2095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No