Information card for entry 4342916

Structure parameters

• Formula: C44 H60 Br6 Cr N2 Na O12
• Calculated formula: C44 H59.94 Br6 Cr N2 Na O12
• Title of publication: 2D and 3D Anilato-Based Heterometallic M(I)M(III) Lattices: The Missing Link.
• Authors of publication: Benmansour, Samia; Vallés-García, Cristina; Gómez-Claramunt, Patricia; Mínguez Espallargas, Guillermo; Gómez-García, Carlos J
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5410 - 5418
• a: 22.425 ± 0.0009 Å
• b: 22.425 ± 0.0009 Å
• c: 22.425 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11277.1 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1606
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No