Information card for entry 4336295

Structure parameters

• Chemical name: 1,3-dichloro-2,4-bis(triphenylmethyl)-cyclo-1,3-diphospha-2,4-diazane
• Formula: C38 H30 Cl2 N2 P2
• Calculated formula: C38 H30 Cl2 N2 P2
• SMILES: P1(N(C(c2ccccc2)(c2ccccc2)c2ccccc2)P(N1C(c1ccccc1)(c1ccccc1)c1ccccc1)Cl)Cl
• Title of publication: Synthesis of 1,3-Dichloro-cyclo-1,3-diphosphadiazanes from Silylated Amino(dichloro)phosphanes
• Authors of publication: Axel Schulz; Alexander Villinger; Andrea Westenkirchner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11457 - 11468
• a: 21.6043 ± 0.0003 Å
• b: 8.7995 ± 0.0001 Å
• c: 17.6203 ± 0.0003 Å
• α: 90°
• β: 104.845 ± 0.001°
• γ: 90°
• Cell volume: 3237.94 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0738
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No