Information card for entry 4322694

Structure parameters

• Formula: C48 H36 Cl3 Fe N4 O3
• Calculated formula: C48 H32 Cl3 Fe N4 O3
• Title of publication: Biphenyl-Strapped Diphenylporphyrins: Synthesis and Spectroscopic Characterization of a Series of Porphyrins with Ether-Linked Straps. Preliminary CO Binding Properties of Their Iron(II) Derivatives
• Authors of publication: Laurent Jaquinod; Lionel Prévot; Jean Fischer; Raymond Weiss
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 1142 - 1149
• a: 10.164 ± 0.003 Å
• b: 28.977 ± 0.009 Å
• c: 14.283 ± 0.004 Å
• α: 90°
• β: 106.22 ± 0.02°
• γ: 90°
• Cell volume: 4039 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.086
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.087
• Goodness-of-fit parameter for all reflections: 1.915
• Goodness-of-fit parameter for significantly intense reflections: 1.937
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No