Information card for entry 4074342

Structure parameters

• Formula: C74 H88 N4 Na4 P4 Si4
• Calculated formula: C74 H88 N4 Na4 P4 Si4
• SMILES: [Na]123[N]4([Na]56[N]7([Na]89[N]%10([Na]%11([N]1(=P([C]369%11P=7(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)[C]258(P=4(c1ccccc1)c1ccccc1)P=%10(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: 12.3275 ± 0.0002 Å
• b: 17.0832 ± 0.0003 Å
• c: 19.6578 ± 0.0004 Å
• α: 101.451 ± 0.001°
• β: 103.195 ± 0.001°
• γ: 103.745 ± 0.001°
• Cell volume: 3772.65 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No