Information card for entry 7052959

Structure parameters

• Formula: C220 H238 Fe4 N4 O P8 Zn
• Calculated formula: C220 H238 Fe4 N4 O P8 Zn
• Title of publication: Enhanced two-photon absorption cross-sections of zinc(II) tetraphenylporphyrins peripherally substituted with d6-metal alkynyl complexes
• Authors of publication: Drouet, Samuel; Merhi, Areej; Grelaud, Guillaume; Cifuentes, Marie P.; Humphrey, Mark G.; Matczyszyn, Katarzyna; Samoc, Marek; Toupet, Loïc; Paul-Roth, Christine O.; Paul, Frédéric
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 11
• Pages of publication: 2192
• a: 36.9262 ± 0.0005 Å
• b: 36.9262 ± 0.0005 Å
• c: 14.7933 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20171.3 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1684
• Residual factor for significantly intense reflections: 0.1141
• Weighted residual factors for significantly intense reflections: 0.2885
• Weighted residual factors for all reflections included in the refinement: 0.3241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No