Information card for entry 7029721

Structure parameters

• Formula: C36 H50 Cl6 Fe N3 O14
• Calculated formula: C36 H48 Cl6 Fe N3 O14
• Title of publication: Halogen-bonding in a new family of tris(haloanilato)metallate(iii) magnetic molecular building blocks.
• Authors of publication: Atzori, Matteo; Artizzu, Flavia; Sessini, Elisa; Marchiò, Luciano; Loche, Danilo; Serpe, Angela; Deplano, Paola; Concas, Giorgio; Pop, Flavia; Avarvari, Narcis; Laura Mercuri, Maria
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 19
• Pages of publication: 7006 - 7019
• a: 26.34 ± 0.006 Å
• b: 16.51 ± 0.004 Å
• c: 10.564 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4594 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No