Information card for entry 4066143

Structure parameters

• Common name: 3
• Formula: C70.66667 H109.33333 Cl2 N4 O4.66667 Y2
• Calculated formula: C70.6667 H109.333 Cl2 N4 O4.66667 Y2
• SMILES: C1=CN(c2c(cccc2C(C)C)C(C)C)[Y]2(N1c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)([Cl][Y]1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)([O]1CCCC1)([O]1CCCC1)[Cl]2)[O]1CCCC1.O1CCCC1
• 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: 17.055 ± 0.005 Å
• b: 19.159 ± 0.005 Å
• c: 19.855 ± 0.005 Å
• α: 83.635 ± 0.005°
• β: 81.052 ± 0.005°
• γ: 88.202 ± 0.005°
• Cell volume: 6369 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1803
• Goodness-of-fit parameter for all reflections included in the refinement: 0.768
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No