Information card for entry 7028222

Structure parameters

• Formula: C41 H58 B2 K N3 P2
• Calculated formula: C41 H58 B2 K N3 P2
• SMILES: [K]12[N](C)(C)CC[N]1(C)CC[N]2(C)C.[BH3]P(=C[P]([BH3])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1C
• Title of publication: Synthesis, characterization and reactivity of potassium and barium complexes containing phosphane-borane stabilized methanides.
• Authors of publication: Langer, Jens; Görls, Helmar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 458 - 468
• a: 12.7824 ± 0.0003 Å
• b: 14.3194 ± 0.0003 Å
• c: 14.331 ± 0.0003 Å
• α: 60.252 ± 0.001°
• β: 83.734 ± 0.001°
• γ: 68.442 ± 0.001°
• Cell volume: 2109.38 ± 0.08 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No