Information card for entry 7104374

Structure parameters

• Formula: C39 H51 Al Cl2 N2 O7 Zn
• Calculated formula: C39 H51 Al Cl2 N2 O7 Zn
• SMILES: c12ccc3=C(c4ccc5c6c([O]7[Al]([O](c8c2cccc8)[Zn]7(Cl)Cl)([n]13)(n45)([OH2])[OH2])cccc6)c1ccccc1.O(CC)CC.O(CC)CC.O(CC)CC
• Title of publication: Aluminium complexes of N2O2-type dipyrrins: the first hetero-multinuclear complexes of metallo-dipyrrins with high fluorescence quantum yields.
• Authors of publication: Ikeda, Chusaku; Ueda, Satoko; Nabeshima, Tatsuya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 2544 - 2546
• a: 10.7486 ± 0.0003 Å
• b: 24.8464 ± 0.0007 Å
• c: 15.2711 ± 0.0004 Å
• α: 90°
• β: 98.9556 ± 0.0011°
• γ: 90°
• Cell volume: 4028.64 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No