Information card for entry 4340309

Structure parameters

• Formula: C10 H8 B Cl N2
• Calculated formula: C10 H8 B Cl N2
• SMILES: ClB1Nc2c3c(ccc2)cccc3N1
• Title of publication: Mono-, di-, and triborylphosphine analogues of triarylphosphines.
• Authors of publication: Bailey, Jonathan A.; Ploeger, Marten; Pringle, Paul G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7763 - 7769
• a: 8.1003 ± 0.0002 Å
• b: 3.7999 ± 0.0001 Å
• c: 29.2151 ± 0.0007 Å
• α: 90°
• β: 96.53 ± 0.001°
• γ: 90°
• Cell volume: 893.42 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0296
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No