Information card for entry 4105195

Structure parameters

• Formula: C24 H64 As N4 P5 Si4
• Calculated formula: C24 H64 As0.934 N4 P4.934 Si4
• SMILES: P(P1P2P1[As]2P(N([Si](C)(C)C)[Si](C)(C)C)N(C(C)C)C(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N(C(C)C)C(C)C
• Title of publication: Properties and Reactivity Patterns of AsP3: An Experimental and Computational Study of Group 15 Elemental Molecules
• Authors of publication: Brandi M. Cossairt; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15501 - 15511
• a: 14.7891 ± 0.0015 Å
• b: 10.9697 ± 0.0011 Å
• c: 13.8057 ± 0.0015 Å
• α: 90°
• β: 111.807 ± 0.002°
• γ: 90°
• Cell volume: 2079.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No