Information card for entry 7028397

Structure parameters

• Formula: C94 H142 F12 N4 Ni2 P6 S4
• Calculated formula: C94 H100 F12 N4 Ni2 P6 S4
• SMILES: C1N(C[P](c2ccccc2)(c2ccccc2)[Ni]2([P]1(c1ccccc1)c1ccccc1)[S]=C(N(CC)CC)S2)CCN1C[P](c2ccccc2)(c2ccccc2)[Ni]2([P](C1)(c1ccccc1)c1ccccc1)[S]=C(N(CC)CC)S2.[P](F)(F)(F)(F)(F)[F-].CCCCCC.CCCCCC.C(CCC)CC.[P](F)(F)(F)(F)(F)[F-].CCCCCC.CCCCCC
• Title of publication: Ni(II) tetraphosphine complexes as catalysts/initiators in the ring opening polymerization of ε-caprolactone.
• Authors of publication: Wu, Xin-Yi; Ren, Zhi-Gang; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 4
• Pages of publication: 1716 - 1723
• a: 17.598 ± 0.003 Å
• b: 13.682 ± 0.003 Å
• c: 22.288 ± 0.004 Å
• α: 90°
• β: 103.04 ± 0.03°
• γ: 90°
• Cell volume: 5228 ± 1.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• 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: 0.1149
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2164
• Weighted residual factors for all reflections included in the refinement: 0.2439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No