Information card for entry 4318780

Structure parameters

• Formula: C18 H22 Cl3 N4 O2 Re
• Calculated formula: C18 H22 Cl3 N3 O2 Re
• Title of publication: {ReIIICl3} Core Complexes with Bifunctional Single Amino Acid Chelates
• Authors of publication: Sangeeta Ray Banerjee; Lihui Wei; Murali K. Levadala; Neva Lazarova; Vladimir O. Golub; Charles J. O'Connor; Karin A. Stephenson; John F. Valliant; John W. Babich; Jon Zubieta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5795 - 5802
• a: 16.088 ± 0.003 Å
• b: 9.9804 ± 0.0016 Å
• c: 12.829 ± 0.002 Å
• α: 90°
• β: 91.384 ± 0.003°
• γ: 90°
• Cell volume: 2059.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No