Information card for entry 4336560

Structure parameters

• Formula: C133 H151 Fe2 N8 S2 Si2
• Calculated formula: C133 H151 Fe2 N8 S2 Si2
• 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: 13.4086 ± 0.0005 Å
• b: 14.4072 ± 0.0007 Å
• c: 17.3566 ± 0.0012 Å
• α: 110.724 ± 0.008°
• β: 102.571 ± 0.007°
• γ: 95.034 ± 0.007°
• Cell volume: 3010.6 ± 0.4 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: 0.0603
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No