Information card for entry 4309531

Structure parameters

• Formula: C24 H24 Cl N5 O Pd
• Calculated formula: C24 H24 Cl N5 O Pd
• SMILES: [Pd]12(c3c(=Nc4[n]1c(=Nc1[n]2c(ccc1)C)c1ccccc41)[nH]c(cc3)C)Cl.O1CCCC1
• 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: 7.4036 ± 0.0008 Å
• b: 11.0386 ± 0.0011 Å
• c: 14.139 ± 0.0015 Å
• α: 73.811 ± 0.002°
• β: 79.324 ± 0.002°
• γ: 79.795 ± 0.002°
• Cell volume: 1080.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No