Information card for entry 4339936

Structure parameters

• Chemical name: sigma-Phenyl N-fused porphyrin chloride
• Formula: C56.53 H45.06 B Cl6.06 N4
• Calculated formula: C56.5242 H45.0484 B Cl6.0484 N4
• Title of publication: Single-boron complexes of N-confused and N-fused porphyrins.
• Authors of publication: Młodzianowska, Anna; Latos-Grazyński, Lechosław; Szterenberg, Ludmiła; Stepień, Marcin
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 6950 - 6957
• a: 17.776 ± 0.006 Å
• b: 15.697 ± 0.005 Å
• c: 17.961 ± 0.006 Å
• α: 90°
• β: 100.11 ± 0.04°
• γ: 90°
• Cell volume: 4934 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No