Information card for entry 4066144

Structure parameters

• Common name: 4
• Formula: C77 H124 Cl2 N4 O5 Yb2
• Calculated formula: C77 H124 Cl2 N4 O5 Yb2
• SMILES: [Yb]12([Cl][Yb]3([Cl]1)([O]1CCCC1)([O]1CCCC1)N(C=CN3c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)([O]1CCCC1)N(C=CN2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.O1CCCC1.CCCCC
• Title of publication: Salt Metathesis and Direct Reduction Reactions Leading to Group 3 Metal Complexes with aN,N′-Bis(2,6-diisopropylphenyl)-1,4-diaza-1,3-butadiene Ligand and Their Solid-State Structures
• Authors of publication: Panda, Tarun K.; Kaneko, Hiroshi; Pal, Kuntal; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2610
• a: 14.126 ± 0.005 Å
• b: 24.282 ± 0.005 Å
• c: 23.572 ± 0.005 Å
• α: 90°
• β: 107.07 ± 0.014°
• γ: 90°
• Cell volume: 7729 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No