Information card for entry 7023184

Structure parameters

• Common name: Zn2DEP.TNF
• Formula: C96 H106 Cl3 N12 O7 Zn2
• Calculated formula: C96 H106 Cl3 N12 O7 Zn2
• Title of publication: Supramolecular BODIPY-Zn(II)-bisporphyrin dyad and trinitrofluorenone encapsulated triad as models of antenna-reaction center: synthesis, structure and photophysical properties.
• Authors of publication: Mondal, Pritam; Chaudhary, Arvind; Rath, Sankar Prasad
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12381 - 12394
• a: 14.674 ± 0.005 Å
• b: 16.836 ± 0.005 Å
• c: 20.941 ± 0.005 Å
• α: 95.279 ± 0.005°
• β: 108.852 ± 0.005°
• γ: 115.688 ± 0.005°
• Cell volume: 4246 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.131
• Residual factor for significantly intense reflections: 0.0796
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No