Information card for entry 4071697

Structure parameters

• Formula: C27 H48 B9 N4 O P Ti
• Calculated formula: C27 H48 B9 N4 O P Ti
• Title of publication: Synthesis and Structural Characterization of Group 4 Metal Complexes Bearing Pentavalent Phosphorus-Bridged Ligands [(C13H8)(iPr2N)P(−O)(C2B10H10)]2−and [(C13H9)(iPr2N)P(O)(C2B9H10)]2−
• Authors of publication: Wang, Hong; Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3964
• a: 10.1719 ± 0.0006 Å
• b: 10.4903 ± 0.0006 Å
• c: 18.1888 ± 0.001 Å
• α: 104.137 ± 0.001°
• β: 91.393 ± 0.001°
• γ: 111.625 ± 0.001°
• Cell volume: 1735.48 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No