Information card for entry 4319158

Structure parameters

• Formula: C36 H30 Cl4 N3 O2 P2 Re
• Calculated formula: C36 H30 Cl4 N3 O2 P2 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)([n]2c(N=[N]1c1ccc(cc1)Cl)cccc2)[O]=P(c1ccccc1)(c1ccccc1)CP(=O)(c1ccccc1)c1ccccc1
• Title of publication: Oxygen Atom Transfer from Nitrogenous ReVO Reagents to Diphosphines and Subsequent Transformations. Rhenium(III) Products and Reaction Models
• Authors of publication: Sibaprasad Bhattacharyya; Indranil Chakraborty; Bimal Kumar Dirghangi; Animesh Chakravorty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 286 - 293
• a: 16.866 ± 0.006 Å
• b: 12.583 ± 0.006 Å
• c: 34.778 ± 0.023 Å
• α: 90°
• β: 99.22 ± 0.04°
• γ: 90°
• Cell volume: 7285 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections: 0.1375
• Weighted residual factors for significantly intense reflections: 0.1019
• Goodness-of-fit parameter for all reflections: 1.023
• Goodness-of-fit parameter for significantly intense reflections: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No