Information card for entry 7112173

Structure parameters

• Formula: C26 H36 B Br Hg N2
• Calculated formula: C26 H36 B Br Hg N2
• SMILES: [Hg](Br)B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Heavy metal boryl chemistry: complexes of cadmium, mercury and lead
• Authors of publication: Andrey V. Protchenko; Deepak Dange; Andrew D. Schwarz; Christina Y. Tang; Nicholas Phillips; Philip Mountford; Cameron Jones; Simon Aldridge
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3841
• a: 9.5303 ± 0.0001 Å
• b: 10.6414 ± 0.0001 Å
• c: 14.1133 ± 0.0001 Å
• α: 76.0209 ± 0.0004°
• β: 89.6737 ± 0.0004°
• γ: 77.503 ± 0.0005°
• Cell volume: 1354.37 ± 0.02 ų
• Cell temperature: 230 K
• Ambient diffraction temperature: 230 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9763
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No