Information card for entry 7115125

Structure parameters

• Formula: C35 H31 Cl4 N4 O2 P2 Re
• Calculated formula: C35 H31 Cl4 N4 O2 P2 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)([O]=P(c2ccccc2)(c2ccccc2)CP(=O)(c2ccccc2)c2ccccc2)[n]2ccn(c2N=[N]1c1ccc(cc1)Cl)C
• Title of publication: Oxygen atom transfer from RevO to tertiary diphosphines: spacer length and chemical differentiation of products
• Authors of publication: Bhattacharyya, Sibaprasad; Chakraborty, Indranil; Dirghangi, Bimal Kumar; Chakravorty, Animesh
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 18
• Pages of publication: 1813
• a: 35.353 ± 0.011 Å
• b: 12.73 ± 0.006 Å
• c: 16.84 ± 0.007 Å
• α: 90°
• β: 104.68 ± 0.03°
• γ: 90°
• Cell volume: 7331 ± 5 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: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections: 0.1369
• Weighted residual factors for significantly intense reflections: 0.106
• Goodness-of-fit parameter for all reflections: 1.115
• Goodness-of-fit parameter for significantly intense reflections: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No