Information card for entry 7128150

Structure parameters

• Formula: C10 H24 Cl7 N
• Calculated formula: C10 H24 Cl7 N
• Title of publication: Non-classical polyinterhalides of chlorine monofluoride: experimental and theoretical characterization of [F(ClF)₃]<sup/>.
• Authors of publication: Pröhm, Patrick; Schwarze, Nico; Müller, Carsten; Steinhauer, Simon; Beckers, Helmut; Rupf, Susanne M.; Riedel, Sebastian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 39
• Pages of publication: 4843 - 4846
• a: 9.2183 ± 0.0006 Å
• b: 9.6315 ± 0.0006 Å
• c: 11.5543 ± 0.0008 Å
• α: 67.512 ± 0.002°
• β: 88.551 ± 0.002°
• γ: 89.108 ± 0.002°
• Cell volume: 947.53 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No