Information card for entry 4100988

Structure parameters

• Formula: C62 H65 Cl2 Fe2 N2 Ni O8 P3
• Calculated formula: C62 H65 Cl2 Fe2 N2 Ni O8 P3
• SMILES: [Ni]12([P]([c]34[Fe]56789%10%11([c]3([cH]6[cH]8[cH]4%10)[C@H]([P]1([C@H](C)[c]13[cH]4[Fe]68%10%12%13%141([c]3([P]2(c1ccccc1)c1ccccc1)[cH]6[cH]4%10)[cH]1[cH]%14[cH]%13[cH]%12[cH]81)C1CCCCC1)C)[cH]1[cH]5[cH]7[cH]9[cH]%111)(c1ccccc1)c1ccccc1)[N]#CC(=C)C.N#CC(=C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: 3H-Benzophosphepine Complexes: Versatile Phosphinidene Precursors
• Authors of publication: Borst, Mark L. G.; Bulo, Rosa E.; Gibney, Daniele J.; Alem, Yonathan; de Kanter, Franciscus J. J.; Ehlers, Andreas W.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 14.244 ± 0.007 Å
• b: 19.825 ± 0.01 Å
• c: 19.945 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5632 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No