Information card for entry 7701998

Structure parameters

• Formula: C37.47 H54.87 F12 Na Ni O9.53 P2 Sb2
• Calculated formula: C37.47 H54.88 F12 Na Ni O9.53 P2 Sb2
• SMILES: c12ccccc1[P](c1ccccc1OC)([Ni]13([CH2]=[CH]1C3)[O]=[P]12OCC[O]2CC[O](C)[Na]342([F][Sb](F)(F)(F)(F)F)([F][Sb](F)(F)(F)(F)F)[O](CC[O]14)CC[O]3C)c1c(cccc1)OC.CCCCO
• Title of publication: Accelerating Ethylene Polymerization Using Secondary Metal Ions in Tetrahydrofuran
• Authors of publication: Xiao, Dawei; Cai, Zhongzheng; Do, Loi
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 10.2493 ± 0.0017 Å
• b: 15.708 ± 0.003 Å
• c: 17.072 ± 0.003 Å
• α: 97.691 ± 0.002°
• β: 105.207 ± 0.002°
• γ: 108.91 ± 0.002°
• Cell volume: 2436 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2113
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No