Information card for entry 4348646

Structure parameters

• Formula: C32 H32 Co9 N16 Na O124 P2 W20
• Calculated formula: C32 H32 Co9 N16 Na O124 P2 W20
• SMILES: c1ccc[n]2[n]1[Co]134[O][Co]567[n]8[n](cccc8)[Co]89([OH2])([OH2])[n]%10[n](cccc%10)[Co]%10%11%12O[Co]%13%14%15[n]%16cccc[n]%16[Co]2([OH2])([OH2])([O]4[W]24(O[W]%16%17%18(O[W]%19%20(=O)O[W]%21%22(=O)O[W]%23(O[W]%24(O%21)(O[W]%21%25(O[W](=O)(O%22)(O%20)O[W](O%17)(=O)(O%21)([O]%25P(=[O]4)(O%18)[O]%23%24)O2)(=O)O5)(=O)O6)(=O)(O[W](O%19)(=O)(O3)O%16)O1)=O)(=O)[O]78)[O]%13[W]12(=O)([O]9%10)O[W]345(O[W]67(=O)O[W]89(=O)O[W]%10(=O)(O6)O[W]6%13([O]%16[W](O%10)(O%15)(O6)(=O)O[W](O8)(O%14)(=O)O[W](O9)([O]=P%16([O]3[W](O7)(O%11)(O5)(=O)O%13)O2)(O1)(=O)O4)(O%12)=O)=O.[OH2][Co]123([n]4cccc[n]4[Co]4([n]5[n](cccc5)[Co]([n]5cccc[n]15)([O]24)([OH2])([OH2])[n]1cccc[n]31)([OH2])([OH2])[OH2])[OH2].[Na]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.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: A Pyridazine-Bridged Sandwiched Cluster Incorporating Planar Hexanuclear Cobalt Ring and Bivacant Phosphotungstate.
• Authors of publication: Guo, Ling-Yu; Zeng, Su-Yuan; Jagličić, Zvonko; Hu, Qi-Dong; Wang, Shi-Xuan; Wang, Zhi; Sun, Di
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 9006 - 9011
• a: 12.1218 ± 0.0005 Å
• b: 44.069 ± 0.002 Å
• c: 13.7866 ± 0.0007 Å
• α: 90°
• β: 92.743 ± 0.003°
• γ: 90°
• Cell volume: 7356.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No