Information card for entry 4342917

Structure parameters

• Formula: C44 H60 Br6 Cr Na O12 P2
• Calculated formula: C44 H60 Br6 Cr Na O12 P2
• SMILES: [Cr]123(OC4=C(Br)C(=O)C(=O)C(=C4O1)Br)(OC1=C(Br)C(=O)C(=O)C(=C1O2)Br)OC1=C(Br)C(=O)C(=O)C(=C1O3)Br.[Na+].[P+](C)(CCCC)(CCCC)CCCC.[P+](C)(CCCC)(CCCC)CCCC
• 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: 9.8809 ± 0.0004 Å
• b: 23.8659 ± 0.0008 Å
• c: 12.4131 ± 0.0004 Å
• α: 90°
• β: 104.868 ± 0.004°
• γ: 90°
• Cell volume: 2829.21 ± 0.18 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No