Information card for entry 7701996

Structure parameters

• Formula: C35 H45 F12 Na Ni O11 P2 Sb2
• Calculated formula: C35 H45 F12 Na Ni O11 P2 Sb2
• SMILES: c12ccccc1[P]1(=[O][Ni]34([P]2(c2c(cccc2OC)OC)c2c(cccc2OC)OC)C[CH]3=[CH2]4)OCC[O]2[Na]34([F][Sb]([F]3)(F)(F)(F)F)([O](CC2)C)[O](CCO1)CC[O]4C.[F-][Sb](F)(F)(F)(F)F
• 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: 40.567 ± 0.003 Å
• b: 9.3711 ± 0.0007 Å
• c: 29.875 ± 0.002 Å
• α: 90°
• β: 121.95 ± 0.001°
• γ: 90°
• Cell volume: 9636.7 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No