Information card for entry 8000052

Structure parameters

• Formula: C49 H33 Cl2 N4 O3 Re
• Calculated formula: C48.999 H33 Cl2 N3.999 O3 Re
• Title of publication: Rhenium Complexes of N-Methyl N-Confused Tetraphenylporphyrin and Its Normal Isomer
• Authors of publication: Motoki Toganoh; Hiroyuki Furuta
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1034
• a: 12.3463 ± 0.0008 Å
• b: 12.881 ± 0.0009 Å
• c: 14.4269 ± 0.001 Å
• α: 93.135 ± 0.001°
• β: 107.516 ± 0.001°
• γ: 108.516 ± 0.001°
• Cell volume: 2045.9 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No