Information card for entry 4318129

Structure parameters

• Formula: C17 H13 Cl N3 O3 Re
• Calculated formula: C17 H13 Cl N3 O3 Re
• Title of publication: Synthesis, Crystal Structure, and Photoelectric Properties of Re(CO)3ClL (L = 2-(1-Ethylbenzimidazol-2-yl)pyridine)
• Authors of publication: Kezhi Wang; Ling Huang; Lihua Gao; Linpei Jin; Chunhui Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3353 - 3358
• a: 12.713 ± 0.006 Å
• b: 15.103 ± 0.007 Å
• c: 18.253 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3505 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No