Information card for entry 7112170

Structure parameters

• Formula: C52 H72 B2 Hg N4
• Calculated formula: C52 H72 B2 Hg N4
• 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: 12.921 ± 0.0001 Å
• b: 26.7541 ± 0.0002 Å
• c: 14.7175 ± 0.0001 Å
• α: 90°
• β: 91.0133 ± 0.0003°
• γ: 90°
• Cell volume: 5086.89 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for all reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No