Information card for entry 7042562

Structure parameters

• Formula: C36 H30 Y2
• Calculated formula: C36 H30 Y2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Y]167892345([cH]2[cH]8[cH]7[cH]6[cH]12)[C](#Cc1ccccc1)[Y]12345678([cH]%10[cH]1[cH]2[cH]3[cH]4%10)([cH]1[cH]8[cH]7[cH]6[cH]51)[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: 8.58646 ± 0.00013 Å
• b: 10.33636 ± 0.00012 Å
• c: 16.233 ± 0.0003 Å
• α: 90°
• β: 100.234 ± 0.0016°
• γ: 90°
• Cell volume: 1417.8 ± 0.04 ų
• Cell temperature: 99.9 ± 0.2 K
• Ambient diffraction temperature: 99.9 ± 0.2 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: 0.0303
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No