Information card for entry 7038581

Structure parameters

• Formula: C58 H180 Cd8 Ge16 N46 O128 V24
• Calculated formula: C58 H170 Cd8 Ge16 N46 O128 V24
• SMILES: C1[NH2][Cd]23([NH2]C1)([NH2]CC[NH2][Cd]14([NH2]CC[NH2]1)([O]=[V]156[O]7[V]89([O]%10[V]%117(=O)[O]7[V]%12%13([O]%14[V]%15%16(=O)[O]%12[V]%12(O)([O]%11%13)[O]%11[Cd]%13%17%18([NH2]CC[NH2]%13)[O]%13[Ge](O[Ge]%10(=O)[O]%12%17)([O]8[V]8([O]%10[V]%12%17([O]%19[V]%20%21([O]%22[Ge]([O-])(O[Ge]%11(O)[O]%16[V]%11%22([O]%15[V]%15([O]%20%11)(=[O][Cd]%11%16([NH2]CC[NH2]%11)[NH2]CC[NH2]%16)[O]%11[Cd]%16%20([NH2]CC[NH2]%16)([O]%15[Ge]%14(O)O[Ge]7([O-])[O]1%20)[O]5[Ge]%10([O-])O[Ge]%19%11[O-])=O)[O]%18[V]%13(=O)([O]8%12)[O]%17%21)=O)=O)(=O)[O]69)O)=O)=O)[O]=C1N5CN6C(=O)N7CN8C(=O)N9CN%10C(=O)N%11C%12N%13CN%14C(=O)N%15CN%16C(=O)N%17CN%18C(=O)N(C5C%18N1CN1C%17C%16N(C1=[O]4)CN1C(=O)N(C%14C%151)C%11)CN1C6C7N(C1=O)CN1C(N(CN(C%13=[O]2)C%10%12)C9C81)=[O]3)[O]=[V]123[O]4[V]56([O]7[V]84([O]4[Ge]9([O]1[Cd]1%10%11([NH2]CC[NH2]%11)[O]%11[V]%12%13([O]%14[V]%15%16([O]%17[Ge]%18([O-])O[Ge]%19(O)[O]%20[V]%21(=O)([O]([V]%224([O]%21[V]4(O)([O]8%22)[O]%19[Cd]8%19%21([O]%22[Ge](O[Ge]7([O-])[O]4%19)([O]5[V]4([O]5[V]7([O]%15[Ge]%11([O-])O[Ge]5([O-])[O]2%10)(=O)[O]4[V]%22(=O)([O]%167)[O]%18%21)(=O)[O]36)O)[NH2]CC[NH2]8)=O)[Ge]([O]1%12)(O)O9)[O]%13[V]%14%17%20=O)=O)=[O][Cd]12([NH2]CC[NH2]1)[NH2]CC[NH2]2)[O-])=O)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Coordination and supramolecular assembly of {Cd2Ge8V12O48} building block and cucurbit[6] to form rotaxane-shaped hybrids.
• Authors of publication: Wei, Mei-Jie; Zang, Hong-Ying; Zhou, En-Long; Shao, Kui-Zhan; Song, Bai-Qiao; Wang, Xin-Long; Su, Zhong-Min
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 4989 - 4992
• a: 12.434 ± 0.005 Å
• b: 12.685 ± 0.005 Å
• c: 30.441 ± 0.005 Å
• α: 87.927 ± 0.005°
• β: 87.149 ± 0.005°
• γ: 75.801 ± 0.005°
• Cell volume: 4647 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1309
• Weighted residual factors for all reflections included in the refinement: 0.1526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No