Information card for entry 7701711

Structure parameters

• Formula: C111 H160.41 B4 N12 Sn1.29
• Calculated formula: C111 H160.414 B4 N12 Sn1.293
• Title of publication: Synthetic, structural and reaction chemistry of N-heterocyclic germylene and stannylene compounds featuring N-boryl substituents.
• Authors of publication: Kristinsdóttir, Lilja; Oldroyd, Nicola L.; Grabiner, Rachel; Knights, Alastair W.; Heilmann, Andreas; Protchenko, Andrey V.; Niu, Haoyu; Kolychev, Eugene L.; Campos, Jesús; Hicks, Jamie; Christensen, Kirsten E.; Aldridge, Simon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 31
• Pages of publication: 11951 - 11960
• a: 10.4446 ± 0.0004 Å
• b: 19.182 ± 0.0005 Å
• c: 27.6921 ± 0.0007 Å
• α: 93.576 ± 0.002°
• β: 96.319 ± 0.003°
• γ: 90.149 ± 0.002°
• Cell volume: 5503.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.138
• Residual factor for significantly intense reflections: 0.1169
• Weighted residual factors for significantly intense reflections: 0.3225
• Weighted residual factors for all reflections included in the refinement: 0.3457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No