Information card for entry 4342176

Structure parameters

• Formula: C27 H35 Br0.25 Er N11.75 O12.25
• Calculated formula: C27 H27 Br0.277 Er N11.723 O12.169
• Title of publication: Lanthanide(III) Complexation with an Amide Derived Pyridinophane.
• Authors of publication: Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1671 - 1683
• a: 19.423 ± 0.002 Å
• b: 16.466 ± 0.002 Å
• c: 21.141 ± 0.003 Å
• α: 90°
• β: 93.385 ± 0.002°
• γ: 90°
• Cell volume: 6749.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No