Information card for entry 4303190

Structure parameters

• Formula: C73 H58 Cl4 Cu2 N6 O17
• Calculated formula: C73 H54 Cl4 Cu2 N6 O17
• Title of publication: Highly Organized Structures and Unusual Magnetic Properties of Paddlewheel Copper(II) Carboxylate Dimers Containing the π-π Stacking, 1,8-Naphthalimide Synthon
• Authors of publication: Daniel L. Reger; Agota Debreczeni; Bryn Reinecke; Vitaly Rassolov; Mark D. Smith; Radu F. Semeniuc
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8911 - 8924
• a: 10.379 ± 0.0005 Å
• b: 12.0345 ± 0.0006 Å
• c: 14.4327 ± 0.0007 Å
• α: 91.807 ± 0.001°
• β: 108.797 ± 0.001°
• γ: 101.045 ± 0.001°
• Cell volume: 1666.51 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0522
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No