Information card for entry 4309529

Structure parameters

• Formula: C40 H38 Cd N12 O6
• Calculated formula: C42 H34 Cd N12 O8
• SMILES: [Cd]1234([n]5c(C)cccc5[N]1=C1NC(=Nc5nc(ccc5)C)c5c1cccc5)([n]1c(C)cccc1[N]2=C1NC(=Nc2nc(ccc2)C)c2c1cccc2)(ON(=O)=[O]3)[O]=N(=O)O4.OC.OC
• 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: 14.055 ± 0.004 Å
• b: 20.27 ± 0.005 Å
• c: 15.082 ± 0.004 Å
• α: 90°
• β: 101.748 ± 0.005°
• γ: 90°
• Cell volume: 4206.8 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No