Information card for entry 4506160

Structure parameters

• Formula: C19.5 H16 Br2 Cl3 Hg N3 O0.5
• Calculated formula: C19.5 H16 Br2 Cl3 Hg N3 O0.5
• Title of publication: Novel Bis(4,4′-dipyridylamine) Ligand with a Flexible Butadiyne Linker: Syntheses, Structures, and Photoluminescence of d10Metal Coordination Polymers
• Authors of publication: Ding, Caixia; Li, Xing; Ding, Yubin; Li, Xin; Ng, Seik Weng; Xie, Yongshu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 3465
• a: 19.6356 ± 0.0009 Å
• b: 16.0764 ± 0.0008 Å
• c: 30.783 ± 0.003 Å
• α: 90°
• β: 101.453 ± 0.006°
• γ: 90°
• Cell volume: 9523.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1153
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.2539
• Weighted residual factors for all reflections included in the refinement: 0.2762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No