Information card for entry 7126185

Structure parameters

• Chemical name: Bis-(tetraphenylphosphonium)-dodecacyano-closo-dodecaborate
• Formula: C59.56 H40 B12 I0.44 N11.57 P2
• Calculated formula: C59.5646 H40 B12 I0.4354 N11.5646 P2
• Title of publication: First steps towards a stable neon compound: observation and bonding analysis of [B₁₂(CN)₁₁Ne]<sup/>.
• Authors of publication: Mayer, Martin; Rohdenburg, Markus; van Lessen, Valentin; Nierstenhöfer, Marc C; Aprà, Edoardo; Grabowsky, Simon; Asmis, Knut R.; Jenne, Carsten; Warneke, Jonas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 33
• Pages of publication: 4591 - 4594
• a: 14.8599 ± 0.0007 Å
• b: 14.7377 ± 0.0006 Å
• c: 15.2073 ± 0.0007 Å
• α: 90°
• β: 109.961 ± 0.006°
• γ: 90°
• Cell volume: 3130.3 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No