Information card for entry 4508629

Structure parameters

• Formula: C25 H19 Br4 Hg2 N7 O0
• Calculated formula: C25 H19 Br4 Hg2 N7
• SMILES: [Hg]1(Br)(Br)[n]2c(N(c3[n]1cccc3)c1nc(N3c4[n]([Hg](Br)(Br)[n]5c3cccc5)cccc4)ccc1)cccc2
• Title of publication: Syntheses, Crystal Structures, and Photoluminescent Properties of a Series of M(II) Coordination Polymers Containing M−X2−M Bridges: From 1-D Chains to 2-D Networks
• Authors of publication: Wei, Kai-Ju; Xie, Yong-Shu; Ni, Jia; Zhang, Min; Liu, Qing-Liang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1341
• a: 17.1651 ± 0.0008 Å
• b: 14.7379 ± 0.0007 Å
• c: 23.655 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5984.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No