Information card for entry 7044251

Structure parameters

• Formula: C85 H97 Cl6 Ni2 P4 Ta2
• Calculated formula: C85 H97 Cl6 Ni2 P4 Ta2
• Title of publication: Tantallacyclopentadiene as a Unique Metal-containing Diene Ligand Coordinated to Nickel for Preparing Tantalum—Nickel Heterobimetallic Complexes
• Authors of publication: Payel, Laskar; yamamoto, Keishi; Srinivas, Anga; Mifleur, Alexis; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.97 ± 0.012 Å
• b: 15.59 ± 0.014 Å
• c: 19.4 ± 0.017 Å
• α: 93.51 ± 0.018°
• β: 91.04 ± 0.012°
• γ: 95.95 ± 0.017°
• Cell volume: 4193 ± 6 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 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: 0.0638
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No