Information card for entry 4305455

Structure parameters

• Formula: C45 H27 Cl2 N4 O P
• Calculated formula: C45 H27 Cl2 N4 O P
• Title of publication: Phosphorus Complexes of N-Fused Porphyrin and Its Reduced Derivatives: New Isomers of Porphyrin Stabilized via Coordination
• Authors of publication: Anna Młodzianowska; Lechosław Latos-Grażyński; Ludmiła Szterenberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6364 - 6374
• a: 15.968 ± 0.005 Å
• b: 10.148 ± 0.003 Å
• c: 22.786 ± 0.007 Å
• α: 90°
• β: 106.91 ± 0.03°
• γ: 90°
• Cell volume: 3533 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0999
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No