Information card for entry 7029713

Structure parameters

• Formula: C39 H46 Fe N2 P4
• Calculated formula: C39 H46 Fe N2 P4
• SMILES: [FeH]12([P](n3cccc3C2c2n([P]1(c1ccccc1)c1ccccc1)ccc2)(c1ccccc1)c1ccccc1)([P](C)(C)C)[P](C)(C)C
• Title of publication: A new PC(sp(3))P ligand and its coordination chemistry with low-valent iron, cobalt and nickel complexes.
• Authors of publication: Zhu, Gengyu; Li, Xiaoyan; Xu, Guoqiang; Wang, Lin; Sun, Hongjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8595 - 8598
• a: 9.413 ± 0.0019 Å
• b: 16.606 ± 0.003 Å
• c: 25.818 ± 0.005 Å
• α: 90°
• β: 91.83 ± 0.03°
• γ: 90°
• Cell volume: 4033.6 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0945
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2436
• Weighted residual factors for all reflections included in the refinement: 0.2548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No