Information card for entry 7110365

Structure parameters

• Formula: C42 H28 Br4 Cl6 Hg2 N8
• Calculated formula: C42 H28 Br4 Cl6 Hg2 N8
• Title of publication: Self-assembly of free-base tetrapyridylporphyrin units by metal ion coordination
• Authors of publication: Pan, Long; Wang, Xiaotai; Noll, Bruce C.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 2
• Pages of publication: 157
• a: 9.507 ± 0.003 Å
• b: 11.641 ± 0.002 Å
• c: 12.732 ± 0.004 Å
• α: 73.418 ± 0.009°
• β: 80.316 ± 0.016°
• γ: 66.294 ± 0.007°
• Cell volume: 1234.2 ± 0.6 ų
• Cell temperature: 171 ± 2 K
• Ambient diffraction temperature: 171 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No