Information card for entry 7121579

Structure parameters

• Formula: C21 H33 B Fe N2
• Calculated formula: C21 H33 B Fe N2
• Title of publication: Strained azabora[2]ferrocenophanes.
• Authors of publication: Bhattacharjee, Hridaynath; Dey, Subhayan; Zhu, Jianfeng; Sun, Wei; Müller, Jens
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 44
• Pages of publication: 5562 - 5565
• a: 6.2078 ± 0.0002 Å
• b: 20.601 ± 0.0007 Å
• c: 15.7389 ± 0.0006 Å
• α: 90°
• β: 94.438 ± 0.002°
• γ: 90°
• Cell volume: 2006.76 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No