Information card for entry 7200370

Structure parameters

• Formula: C27 H21 Hg3 N12 S6
• Calculated formula: C27 H21 Hg3 N12 S6
• Title of publication: Novel rare case of 2D + 1D = 2D polycatenation Hg(ii) coordination polymer
• Authors of publication: Mahmoudi, Ghodrat; Morsali, Ali
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 50
• a: 11.695 ± 0.0007 Å
• b: 14.2219 ± 0.0008 Å
• c: 22.1864 ± 0.0014 Å
• α: 90°
• β: 102.442 ± 0.001°
• γ: 90°
• Cell volume: 3603.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1064
• 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