Information card for entry 4339665

Structure parameters

• Formula: C44 H42 Cl2 Cu2 N12 O Pd
• Calculated formula: C44 H42 Cl2 Cu2 N12 O Pd
• SMILES: [Pd]12345[Cu]678(Cl)[n]9ccccc9N2c2[n]([Cu]1(Cl)([n]1c(N3c3[n]6cccc3)cccc1)([n]1c(N4c3[n]7cccc3)cccc1)[n]1c(N5c3[n]8cccc3)cccc1)cccc2.O(CC)CC
• Title of publication: Cu-Pd-Cu and Cu-Pt-Cu linear frameworks: synthesis, magnetic properties, and theoretical analysis of two mixed-metal complexes of dipyridylamide (dpa), isostructural, and isoelectronic with [Cu3(dpa)4Cl2]+.
• Authors of publication: Liu, Isiah Po-Chun; Lee, Gene-Hsiang; Peng, Shie-Ming; Bénard, Marc; Rohmer, Marie-Madeleine
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 23
• Pages of publication: 9602 - 9608
• a: 16.1125 ± 0.0002 Å
• b: 15.761 ± 0.0002 Å
• c: 16.9971 ± 0.0002 Å
• α: 90°
• β: 99.2852 ± 0.0005°
• γ: 90°
• Cell volume: 4259.84 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No