Information card for entry 4070348

Structure parameters

• Formula: C48.5 H44 Cl2 N2 O3 P Rh S
• Calculated formula: C48.5 H44 Cl2 N2 O3 P Rh S
• Title of publication: Meso-Substituent Effects on Redox Properties of the 5,10-Porphodimethene-Type P,S,N2-Hybrid Calixphyrins and Their Metal Complexes
• Authors of publication: Matano, Yoshihiro; Fujita, Masato; Miyajima, Tooru; Imahori, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 6213
• a: 16.168 ± 0.005 Å
• b: 14.487 ± 0.004 Å
• c: 18.921 ± 0.006 Å
• α: 90°
• β: 100.612 ± 0.006°
• γ: 90°
• Cell volume: 4356 ± 2 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 8
• 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: 0.1277
• Residual factor for significantly intense reflections: 0.1001
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No