Information card for entry 7113868

Structure parameters

• Formula: C29 H21 Br2 Hg N3 O
• Calculated formula: C29 H21 Br2 Hg N3 O
• Title of publication: Spontaneous chiral resolution of a coordination polymer with distorted helical structure consisting of achiral building blocks
• Authors of publication: Siemeling, Ulrich; Scheppelmann, Imke; Neumann, Beate; Stammler, Anja; Stammler, Hans-Georg; Frelek, Jadwiga
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 2236 - 2237
• a: 27.787 ± 0.0013 Å
• b: 7.349 ± 0.0003 Å
• c: 13.383 ± 0.0007 Å
• α: 90°
• β: 104.891 ± 0.004°
• γ: 90°
• Cell volume: 2641.1 ± 0.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103899
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No