Information card for entry 4334791

Structure parameters

• Formula: C17 H18 Cl2 Mg N4 O11
• Calculated formula: C17 H18 Cl2 Mg N4 O11
• Title of publication: A Polyaromatic Terdentate Binding Unit with Fused 5,6-Membered Chelates for Complexing s-, p-, d-, and f-Block Cations
• Authors of publication: Thi Nhu Y Hoang; Marie Humbert-Droz; Thibault Dutronc; Laure Guénée; Céline Besnard; Claude Piguet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5570 - 5580
• a: 9.8604 ± 0.0004 Å
• b: 9.968 ± 0.0005 Å
• c: 12.2159 ± 0.0004 Å
• α: 74.51 ± 0.003°
• β: 84.256 ± 0.003°
• γ: 73.945 ± 0.004°
• Cell volume: 1111.49 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No