Information card for entry 4313445

Structure parameters

• Common name: Cu3(dpa)4Cl2SbCl6(C2H4Cl2)2.86(C6H12)0.792
• Formula: C48.33 H48.67 Cl11.58 Cu3 N12 Sb
• Calculated formula: C48.314 H48.608 Cl12.08 Cu3 N12 Sb1.5
• Title of publication: Oxidation of Ni3(dpa)4Cl2 and Cu3(dpa)4Cl2: Nickel-Nickel Bonding Interaction, but No Copper-Copper Bonds
• Authors of publication: John F. Berry; F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 2418 - 2427
• a: 29.9365 ± 0.0014 Å
• b: 29.9365 ± 0.0014 Å
• c: 28.151 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 25229 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1789
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No