Information card for entry 7042568

Structure parameters

• Formula: C36 H30 Er2
• Calculated formula: C36 H30 Er2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Er]167892345([cH]2[cH]1[cH]6[cH]7[cH]82)[C](#Cc1ccccc1)[Er]12345678([cH]%10[cH]1[cH]2[cH]3[cH]4%10)([cH]1[cH]5[cH]6[cH]7[cH]81)[C]9#Cc1ccccc1
• 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: 8.5566 ± 0.0002 Å
• b: 10.23247 ± 0.00017 Å
• c: 16.169 ± 0.0003 Å
• α: 90°
• β: 100.462 ± 0.002°
• γ: 90°
• Cell volume: 1392.14 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0261
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No