Information card for entry 4073807

Structure parameters

• Common name: [C(Ph2P=NTMS)2Ba.THF]2
• Formula: C35 H46 Ba N2 O P2 Si2
• Calculated formula: C35 H46 Ba N2 O P2 Si2
• Title of publication: Syntheses, Structures, and Reactivity of Barium Carbene Complexes with Chelating Bis-iminophosphorano Arms
• Authors of publication: Orzechowski, Lars; Harder, Sjoerd
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 23
• Pages of publication: 5501
• a: 12.2767 ± 0.0003 Å
• b: 13.7861 ± 0.0003 Å
• c: 13.844 ± 0.0003 Å
• α: 79.957 ± 0.001°
• β: 64.154 ± 0.001°
• γ: 78.575 ± 0.001°
• Cell volume: 2056.59 ± 0.08 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No