Information card for entry 4074343

Structure parameters

• Formula: C74 H88 Li2 N4 Na2 P4 Si4
• Calculated formula: C74 H88 Li2 N4 Na2 P4 Si4
• SMILES: [Li]123[N]4([Na][N]5([Li]67[N]([Na][N]1(=P([C]37=P5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)(=P([C]26=P4(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.c1ccccc1.c1ccccc1
• Title of publication: Structural Characterization and Dynamic Solution Behavior of the Disodio and Lithio−Sodio Geminal Organodimetallics [{{Ph2P(Me3Si)N}2CNa2}2] and [{{Ph2P(Me3Si)N}2CLiNa}2]
• Authors of publication: Hull, Katherine L.; Noll, Bruce C.; Henderson, Kenneth W.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 4072
• a: 14.57 ± 0.0006 Å
• b: 14.5952 ± 0.0006 Å
• c: 18.6933 ± 0.0008 Å
• α: 91.53 ± 0.003°
• β: 105.048 ± 0.002°
• γ: 104.295 ± 0.002°
• Cell volume: 3702.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No