Information card for entry 7226073

Structure parameters

• Common name: [Na2Cr3]n
• Chemical name: complex 5
• Formula: C36 H39 Cr3 N6 Na3 O19
• Calculated formula: C36 H39 Cr3 N6 Na3 O19
• SMILES: c12c(cccc2)C(C)=[N]2O[Cr]3456[O]7[Cr]82(O1)(O[N]1=C(c2c(cccc2)O[Cr]71(O[N]3=C(c1c(cccc1)O4)C)([O]=C(C)O6)[O]=C(C)O8)C)[O]=C(C)O5.N#CC.O.O.[Na+].N#CC.N#CC.O.O.O.O.[Na+].[Na+]
• Title of publication: Solvothermal Synthesis of Discrete Cages and Extended Networks Comprising {Cr(III)3O(O2CR)3(oxime)3}2- (R = H, CH3, C(CH3)3, C14H9) Building Blocks.
• Authors of publication: Jones, Leigh Fon; Comar, Priyanka; Pitak, Mateusz; Coles, Simon; G. Ryder, Alan; Piligkos, Stergios; Brechin, Euan K.; Houton, Edel
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 15.5335 ± 0.0005 Å
• b: 15.5335 ± 0.0005 Å
• c: 36.608 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7649.7 ± 0.5 ų
• Cell temperature: 150 ± 3 K
• Ambient diffraction temperature: 150 ± 3 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No