Information card for entry 4082526

Structure parameters

• Formula: C49 H55 K N2 P2
• Calculated formula: C49 H55 K N2 P2
• SMILES: [K+].P([N-]c1c(cccc1C(C)C)C(C)C)(=CP(=Nc1c(cccc1C(C)C)C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Heavy Group 15 Element Compounds of a Sterically Demanding Bis(iminophosphorane)methanide and -methanediide
• Authors of publication: Sindlinger, Christian P.; Stasch, Andreas; Wesemann, Lars
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 322
• a: 9.531 ± 0.0006 Å
• b: 42.837 ± 0.002 Å
• c: 10.6511 ± 0.0007 Å
• α: 90°
• β: 101.489 ± 0.006°
• γ: 90°
• Cell volume: 4261.5 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1058
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No