Information card for entry 7226076

Structure parameters

• Common name: [Na3Cr6]-4
• Chemical name: complex 4
• Formula: C62 H66 Cr6 N7 Na3 O27
• Calculated formula: C62 H63 Cr6 N7 Na3 O27
• 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: 26.3193 ± 0.0011 Å
• b: 13.1295 ± 0.0005 Å
• c: 22.7708 ± 0.0012 Å
• α: 90°
• β: 113.736 ± 0.005°
• γ: 90°
• Cell volume: 7203 ± 0.6 ų
• Cell temperature: 149.8 ± 0.3 K
• Ambient diffraction temperature: 149.8 ± 0.3 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No