Information card for entry 4319976

Structure parameters

• Formula: C38 H67 Cl2 Fe N6 P2 S2
• Calculated formula: C38 H67 Cl2 Fe N6 P2 S2
• SMILES: [Fe](Cl)(Cl)([N](=NN=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C)CSc1ccccc1)[N](=NN=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C)CSc1ccccc1
• Title of publication: Contrasting Formation of a (Phenylthio)phosphinimine and (Phenylthio)phosphazide. Synthesis of Metal Complexes
• Authors of publication: Luc LePichon; Douglas W. Stephan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3827 - 3829
• a: 13.917 ± 0.005 Å
• b: 21.409 ± 0.007 Å
• c: 15.513 ± 0.005 Å
• α: 90°
• β: 93.821 ± 0.008°
• γ: 90°
• Cell volume: 4612 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0672
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.564
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No