Information card for entry 4130307

Structure parameters

• Formula: C73 H70 N4 O Zn
• Calculated formula: C73 H66 N4 O Zn
• SMILES: [Zn]12([n]3c(cc(c3=C(c3n1c(/C=C/c1ccccc1)cc3C)c1c(C)cc(cc1C)C)C)/C=C/c1ccccc1)[n]1c(c(cc1/C=C/c1ccccc1)C)=C(c1n2c(cc1C)/C=C/c1ccccc1)c1c(cc(cc1C)C)C.OC
• Title of publication: Dissymmetric Bis(dipyrrinato)zinc(II) Complexes: Rich Variety and Bright Red to Near-Infrared Luminescence with a Large Pseudo-Stokes Shift.
• Authors of publication: Sakamoto, Ryota; Iwashima, Toshiki; Kögel, Julius F; Kusaka, Shinpei; Tsuchiya, Mizuho; Kitagawa, Yasutaka; Nishihara, Hiroshi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 17
• Pages of publication: 5666 - 5677
• a: 11.873 ± 0.005 Å
• b: 13.492 ± 0.005 Å
• c: 18.85 ± 0.007 Å
• α: 94.685 ± 0.006°
• β: 105.074 ± 0.004°
• γ: 96.671 ± 0.004°
• Cell volume: 2876.2 ± 1.9 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No