Information card for entry 7247506

Structure parameters

• Formula: C32 H35 Cl2 Fe N2 P
• Calculated formula: C32 H35 Cl2 Fe N2 P
• SMILES: [Fe]1(Cl)(Cl)[n]2c(c3c(cc(cc3C)C)C)ccc3CCCC([NH]1CCP(c1ccccc1)c1ccccc1)c23
• Title of publication: N-(2-(Diphenylphosphino)ethyl)-2-alkyl-5,6,7,8-tetrahydro-quinolin-8-amines iron(ii) complexes: structural diversity and the ring opening polymerization of ε-caprolactone
• Authors of publication: Wang, Yun; Zhang, Wenjuan; Wang, Xing; Zuo, Weiwei; Xue, Xiaopan; Ma, Yanping; Sun, Wen-Hua
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 43
• Pages of publication: 29866 - 29878
• a: 10.8311 ± 0.0002 Å
• b: 11.3008 ± 0.0002 Å
• c: 24.9795 ± 0.0004 Å
• α: 90°
• β: 91.011 ± 0.002°
• γ: 90°
• Cell volume: 3057.02 ± 0.09 ų
• Cell temperature: 170.15 K
• Ambient diffraction temperature: 170.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.2064
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No