Information card for entry 7042561

Structure parameters

• Formula: C77 H62 Y2
• Calculated formula: C56 H38 Y2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Y]167892345([cH]2[cH]1[cH]6[cH]7[cH]82)[C](#Cc1cccc2cc3cccc(c3cc12)C#C)[Y]12345678([cH]%10[cH]4[cH]3[cH]2[cH]1%10)([cH]1[cH]5[cH]6[cH]7[cH]81)[C]9#Cc1cccc2cc3cccc(c3cc12)C#C
• 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: 12.6353 ± 0.0003 Å
• b: 22.9872 ± 0.0005 Å
• c: 19.9472 ± 0.0004 Å
• α: 90°
• β: 103.266 ± 0.002°
• γ: 90°
• Cell volume: 5639.1 ± 0.2 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No