Information card for entry 7152643

Structure parameters

• Chemical name: Silver(III) complex of 5,10,15,20-tetratolyl-2-aza-3-diphenylphosphoryl-21-carbaporphiryn hexane and dichloromethane solvate
• Formula: C67.1 H70.2 Ag Cl2.2 Cs0 N4 O P
• Calculated formula: C61.1 H46.2 Ag Cl2.2 N4 O P
• Title of publication: Regioselective phosphorylation and thiophosphorylation of N-confused porphyrin: a route to hybrid carbaporphyrinoids.
• Authors of publication: Grzegorzek, Norbert; Latos-Grażyński, Lechosław; Szterenberg, Ludmiła
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 40
• Pages of publication: 8064 - 8075
• a: 22.7262 ± 0.0008 Å
• b: 9.7497 ± 0.0004 Å
• c: 29.1825 ± 0.0015 Å
• α: 90°
• β: 122.445 ± 0.003°
• γ: 90°
• Cell volume: 5456.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1919
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No