Information card for entry 7028495

Structure parameters

• Formula: C21 H56 N5 Na2 O89 P2 Re2 W23
• Calculated formula: C21 H51 N5 Na2 O89 P2 Re2 W23
• SMILES: C(#[O])[Re]12(C#[O])(C#[O])[O]=[W]345(O[W]678(O[W]9%10(O[W]%11%12(O[W]%13%14(O[W]%15%16%17(O[W](=[O]1)([O]9P19=[O]5[W]5(O[W]%18(O[W](=O)(O%13)(O7)([O]89%18)O%11)(O6)(O[W]([O]%151)(O%14)(=O)(O%16)O5)=O)(O4)(O[W]14(O[W]567(O[W]89%11(=O)O[W]%13%14(O[W]%15%16(O[W]%18%19(O5)(O[W]5%20(O[W]%21%22(O[W]%23%24(O4)(=O)O[W](O%18)(=O)(O%22)(O6)[O]%23P([O]79)(=[O][W](=O)(O[W](=O)(O%13)(O5)O%21)(=[O][Re](C#[O])(C#[O])(C#[O])([O]=1)[O]=8)(O%14)O%24)[O]%15%19%20)=O)(=O)O%16)=O)(=O)O%11)=O)=O)(O%17)=[O]2)=O)(O%10)(=O)O%12)=O)=O)=O)(=O)O3)=O)=O.C[NH+](C)C.C[NH+](C)C.CN(C)C.N(C)(C)C.[NH+](C)(C)C.[Na+].O.[Na+].O.O
• Title of publication: Complexation of metal carbonyl units with [α-PW11O39](7-) and [α2-P2W17O61](10-): insights into the chiral "twisted-sandwich" dimeric structures.
• Authors of publication: Zhao, Chongchao; Glass, Elliot N.; Sumliner, Jordan M.; Bacsa, John; Kim, Daniel Taehyun; Guo, Weiwei; Hill, Craig L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 4040 - 4047
• a: 23.0635 ± 0.0018 Å
• b: 26.169 ± 0.0019 Å
• c: 38.199 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 23055 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1951
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No