Information card for entry 4336559

Structure parameters

• Formula: C56 H52 Fe N4 S Si
• Calculated formula: C56 H52 Fe N4 S Si
• Title of publication: Studies of Iron(III) Porphyrinates Containing Silanethiolate Ligands
• Authors of publication: Daniel J. Meininger; Jonathan D. Caranto; Hadi D. Arman; Zachary J. Tonzetich
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12468 - 12476
• a: 11.113 ± 0.003 Å
• b: 12.6 ± 0.003 Å
• c: 16.927 ± 0.004 Å
• α: 80.693 ± 0.011°
• β: 85.049 ± 0.012°
• γ: 77.332 ± 0.011°
• Cell volume: 2278.9 ± 1 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No