Information card for entry 4309530

Structure parameters

• Formula: C28 H20 N6 O2 Zn
• Calculated formula: C28 H20 N6 O2 Zn
• SMILES: [Zn]12([n]3c(cccc3N=C3N1C(=O)c1c3cccc1)C)[n]1c(cccc1N=C1N2C(=O)c2c1cccc2)C
• Title of publication: Cd(II), Zn(II), and Pd(II) Complexes of an Isoindoline Pincer Ligand: Consequences of Steric Crowding
• Authors of publication: Brandon L. Dietrich; Jonathan Egbert; Aimee M. Morris; Mark Wicholas; Oren P. Anderson; Susie M. Miller
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6476 - 6481
• a: 13.969 ± 0.002 Å
• b: 12.547 ± 0.002 Å
• c: 15.301 ± 0.003 Å
• α: 90°
• β: 116.096 ± 0.003°
• γ: 90°
• Cell volume: 2408.4 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No