Information card for entry 7003130

Structure parameters

• Formula: C24 H86 N8 Na2 Ni4 O75 P2 W18
• Calculated formula: C24 H62 N8 Na2 Ni4 O75 P2 W18
• SMILES: C(CCCCCN)N.O1[W]23(O[W]456(=[O][Ni]789%10[O]=[W]%11%12%13(O[W]%14%15%16(O[W]%17%18%19(O[W]%20%21(=O)O[W]%22(=O)(O[W](O%20)(=O)(O%15)O%13)O[W]%13(=O)(O%11)=[O][Ni]%11%15%20([O]=[W]%23(O%22)(O[W]%22(=O)(O%17)(O%21)[O]%18P(=[O]%23)([O]%12%14)[O]9%15[Ni]9%12%14([O]=[W]%15%17%18(O[W]%21%23(O[W](O2)([O]5P2(=[O][W]5%24(O4)(=[O][Ni]([NH2]CCCCCCN)([O]=[W](O%15)(=O)(O[W]1(=O)(O[W](O3)(=O)(O%23)O%18)O5)O%24)([O]%199)([O]8%122)[O]%10%16)=O)[O]%17%21)(O6)(=O)[O]7%11)(=O)[O]%20%14)=O)[O]=%22)(O%13)=O)[NH2]CCCCCCN)=O)=O)=O)=O)=O.O.O.O.O.O.[Na+].O.O.C(CCCCCN)N.[Na+]
• Title of publication: Two extended structures constructed from sandwich-type polyoxometalates functionalized by organic amines
• Authors of publication: Zhang, Zhiming; Liu, Jia; Wang, Enbo; Qin, Chao; Li, Yangguang; Qi, Yanfei; Wang, Xinlong
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 4
• Pages of publication: 463 - 468
• a: 11.727 ± 0.002 Å
• b: 15.71 ± 0.003 Å
• c: 16.103 ± 0.003 Å
• α: 118 ± 0.03°
• β: 97.2 ± 0.03°
• γ: 105.12 ± 0.03°
• Cell volume: 2419.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1044
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No