Information card for entry 7042567

Structure parameters

• Formula: C68 H50 Er2
• Calculated formula: C68 H50 Er2
• Title of publication: Methylene-bridged, intramolecular donor-acceptor systems based on rare-earth metals and phosphinomethanides.
• Authors of publication: Pieper, Martin; Lamm, Jan-Hendrik; Neumann, Beate; Stammler, Hans-Georg; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5326 - 5336
• a: 11.6041 ± 0.0003 Å
• b: 14.4756 ± 0.0007 Å
• c: 15.4007 ± 0.0005 Å
• α: 90°
• β: 96.756 ± 0.003°
• γ: 90°
• Cell volume: 2568.99 ± 0.16 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.385
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No