Information card for entry 7705249

Structure parameters

• Formula: C116 H112 B4 N28 O8 W4 Zn
• Calculated formula: C116 H112 B4 N28 O8 W4 Zn
• Title of publication: Carbyne decorated porphyrins.
• Authors of publication: Frogley, Benjamin J.; Hill, Anthony F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 35
• Pages of publication: 12390 - 12400
• a: 12.0635 ± 0.0012 Å
• b: 14.5979 ± 0.0011 Å
• c: 24.2222 ± 0.0012 Å
• α: 80.549 ± 0.005°
• β: 83.197 ± 0.006°
• γ: 73.876 ± 0.008°
• Cell volume: 4030.2 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2276
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No