Information card for entry 1561970

Structure parameters

• Formula: C40 H86 Co5 N16 O80 P2 W18
• Calculated formula: C40 H86 Co5 N16 O80 P2 W18
• SMILES: n1(c[nH+]cc1)CCCCn1c[nH+]cc1.O1[P]23=[O][W]456(O[W]781(O[W]19(O[W]%10%11(O[W]%12%13(O2)(O[W](O4)(O[W]2(O5)(O[W](O1)(O7)(O[W](O%12)(O%10)(O2)=O)=O)=O)(=[O][Co]12([O]43[Co]357([O]9[Co]9%10%12([O]%11[Co]%11%144([O]=%13)[O]39[P]34=[O][W]9%13(O[W]%15(O[W]%16(O[W]%17(O4)(O[W]4(O[W](O3)(O9)(O[W]3(O4)(O[W](O%15)(O%13)(O[W](O%17)(O%16)(O3)=O)=O)=O)(=[O]%10)=O)(=[O]%12)=O)(=[O]5)=O)([O]27)=O)([O]1%11)=O)(=[O]%14)=O)[OH2])[O]=8)([O]=6)[OH2])=O)=O)=O)=O)=O)=O.[Co]([n]1cn(cc1)CCCCn1c[nH+]cc1)([n]1cn(cc1)CCCCn1c[nH+]cc1)([OH2])([OH2])([OH2])[OH2].O.O.O.n1(c[nH+]cc1)CCCCn1c[nH+]cc1.O.O.O
• Title of publication: Assembly of new polyoxometalate‒templated metal‒organic frameworks based on flexible ligands
• Authors of publication: Li, Na; Mu, Bao; Lv, Lei; Huang, Rudan
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2015
• Journal volume: 226
• Pages of publication: 88 - 93
• a: 12.1343 ± 0.0007 Å
• b: 13.5519 ± 0.0009 Å
• c: 18.7733 ± 0.0018 Å
• α: 68.895 ± 0.007°
• β: 73.968 ± 0.007°
• γ: 69.981 ± 0.006°
• Cell volume: 2664.5 ± 0.4 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: 0.1199
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1701
• 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