Information card for entry 7701664

Structure parameters

• Chemical name: mp-218
• Formula: C38 H63 N4 O9 P3 Ti
• Calculated formula: C38 H63 N4 O9 P3 Ti
• Title of publication: Mono, bis, and tris(phosphoramidate) titanium complexes: synthesis, structure, and reactivity investigations.
• Authors of publication: Perry, Mitchell R.; Gilmour, Damon J.; Schafer, Laurel L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 26
• Pages of publication: 9782 - 9790
• a: 12.2852 ± 0.0007 Å
• b: 17.6497 ± 0.0009 Å
• c: 20.5001 ± 0.0012 Å
• α: 90°
• β: 94.609 ± 0.002°
• γ: 90°
• Cell volume: 4430.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0745
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No