Information card for entry 4073806

Structure parameters

• Common name: [(TMS-N=P(Ph)2)CH]2Ba
• Formula: C62 H78 Ba N4 P4 Si4
• Calculated formula: C62 H78 Ba N4 P4 Si4
• SMILES: [Ba]12([N](=P(C=P(c3ccccc3)(N1[Si](C)(C)C)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)[N](=P(C=P(N2[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C
• 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: 13.2021 ± 0.0003 Å
• b: 20.3922 ± 0.0005 Å
• c: 28.6081 ± 0.0007 Å
• α: 90°
• β: 104.565 ± 0.001°
• γ: 90°
• Cell volume: 7454.4 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No