Information card for entry 4334405

Structure parameters

• Formula: C22 H40 As4 Cl16 N10 P2
• Calculated formula: C22 H40 As4 Cl16 N10 P2
• SMILES: C12C3=[N]4CCCN3P(N2CCC[N]=1[As]4(Cl)(Cl)Cl)N(C)C.[As](Cl)(Cl)Cl.C(Cl)Cl
• Title of publication: Conformationally Constrained N-Heterocyclic Phosphine-Diimine with Dual Functionality
• Authors of publication: Georgios Mourgas; Martin Nieger; Daniela Förster; Dietrich Gudat
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4104 - 4112
• a: 9.9973 ± 0.0002 Å
• b: 19.5332 ± 0.0005 Å
• c: 12.3096 ± 0.0003 Å
• α: 90°
• β: 93.339 ± 0.002°
• γ: 90°
• Cell volume: 2399.73 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No