Information card for entry 4073414

Structure parameters

• Formula: C52 H84 I2 Tm2
• Calculated formula: C52 H84 I2 Tm2
• SMILES: [cH]12[c]3(C(C)(C)C)[Tm]456789%101([I][Tm]1%11%12%13%14%15%16%17([cH]%18[c]1([cH]%11[cH]%12[c]%13%18C(C)(C)C)C(C)(C)C)([I]9)[cH]1[cH]%14[c]%15([cH]%16[c]%171C(C)(C)C)C(C)(C)C)([cH]1[cH]4[c]5([cH]6[c]%101C(C)(C)C)C(C)(C)C)[cH]3[c]7([cH]28)C(C)(C)C
• Title of publication: Synthesis and Reactivity of Organometallic Complexes of Divalent Thulium with Cyclopentadienyl and Phospholyl Ligands
• Authors of publication: Jaroschik, Florian; Nief, François; Le Goff, Xavier-Frédéric; Ricard, Louis
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3552
• a: 10.492 ± 0.001 Å
• b: 10.55 ± 0.001 Å
• c: 12.863 ± 0.001 Å
• α: 81.18 ± 0.001°
• β: 72.891 ± 0.001°
• γ: 78.824 ± 0.001°
• Cell volume: 1327.9 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No