Information card for entry 7009882

Structure parameters

• Formula: C116 H79 N13 O6 Zn2
• Calculated formula: C98 H64 N10 Zn2
• Title of publication: Multicomponent Zn-tetraphenylporphyrins: syntheses, characterization and their self assembly in the solid state
• Authors of publication: Shukla, Atindra D.; Dave, Paresh C.; Suresh, Eringathodi; Das, Amitava; Dastidar, Parthasarathi
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 23
• Pages of publication: 4459
• a: 18.52 ± 0.03 Å
• b: 13.474 ± 0.011 Å
• c: 40.29 ± 0.011 Å
• α: 90°
• β: 99.76 ± 0.06°
• γ: 90°
• Cell volume: 9908 ± 18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2256
• Weighted residual factors for all reflections included in the refinement: 0.24
• Goodness-of-fit parameter for all reflections included in the refinement: 1.577
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoK/a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No