Information card for entry 1517741

Structure parameters

• Common name: ZnmesDPMe2tBu
• Formula: C33 H44 N2 O2 Zn
• Calculated formula: C33 H44 N2 O2 Zn
• Title of publication: Symmetry-Breaking Charge Transfer of Visible Light Absorbing Systems: Zinc Dipyrrins.
• Authors of publication: Trinh, Cong; Kirlikovali, Kent; Das, Saptaparna; Ener, Maraia E.; Gray, Harry B.; Djurovich, Peter; Bradforth, Stephen E.; Thompson, Mark E.
• Journal of publication: The journal of physical chemistry. C, Nanomaterials and interfaces
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 38
• Pages of publication: 21834 - 21845
• a: 13.858 ± 0.0005 Å
• b: 17.1278 ± 0.0006 Å
• c: 14.581 ± 0.0007 Å
• α: 90°
• β: 116.754 ± 0.001°
• γ: 90°
• Cell volume: 3090.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No