Information card for entry 2311479

Structure parameters

• Chemical name: {2,6-Bis[(dimethylamino)methyl]phenyl-κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>'}\ [bromido/chlorido(0.30/0.70)]mercury(II)‒{2,6-bis[(dimethylamino)methyl]phenyl- κ^3^<i>N</i>,<i>C</i>^1^,<i>N</i>'}[bromido/chlorido(0.24/0.76)]mercury(II) (1/1)
• Formula: C24 H38 Br0.54 Cl1.46 Hg2 N4
• Calculated formula: C24 H38 Br0.538 Cl1.462 Hg2 N4
• Title of publication: Crystal structure of {2,6-bis-[(di-methyl-amino)-meth-yl]phenyl-κ³<i>N</i>,<i>C</i>¹,<i>N</i>'}(bromido/chlorido)-mercury(II).
• Authors of publication: Gupta, Anand; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1679 - 1682
• a: 9.51872 ± 0.00015 Å
• b: 10.88545 ± 0.00017 Å
• c: 27.8353 ± 0.0005 Å
• α: 90°
• β: 93.8563 ± 0.0015°
• γ: 90°
• Cell volume: 2877.64 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0388
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No