Information card for entry 4320135

Structure parameters

• Formula: C12 H27 Br0.8 Cl1.2 Cu N3
• Calculated formula: C12 H27 Br0.8 Cl1.2 Cu N3
• Title of publication: Copper(II) Complexes of Novel N-Alkylated Derivatives of cis,cis-1,3,5-Triaminocyclohexane. 1. Preparation and Structure
• Authors of publication: Gyungse Park; Junlong Shao; Frances H. Lu; Robin D. Rogers; N. Dennis Chasteen; Martin W. Brechbiel; Roy P. Planalp
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4167 - 4175
• a: 8.2265 ± 0.0001 Å
• b: 12.5313 ± 0.0001 Å
• c: 15.3587 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1583.31 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.09
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No