Information card for entry 4089649

Structure parameters

• Formula: C50 H102 B2 K2 N6 P2
• Calculated formula: C50 H102 B2 K2 N6 P2
• Title of publication: Synthesis and Structural Characterization of Phosphine‒Borane-Stabilized Dicarbanions with either Rigid or Flexible Spacers
• Authors of publication: Izod, Keith; Dixon, Casey M.; McMeekin, Emma; Rodgers, Lee; Harrington, Ross W.; Baisch, Ulrich
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 33
• Journal issue: 1
• Pages of publication: 378
• a: 18.8732 ± 0.0006 Å
• b: 21.7626 ± 0.0007 Å
• c: 14.3884 ± 0.0004 Å
• α: 90°
• β: 92.401 ± 0.003°
• γ: 90°
• Cell volume: 5904.6 ± 0.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0703
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No