Information card for entry 2108603

Structure parameters

• Formula: C23 H24.4 Cl N2 O3 Re
• Calculated formula: C23 H24.4 Cl N2 O3 Re
• Title of publication: Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies
• Authors of publication: Kia, Reza; Kalaghchi, Azadeh
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• a: 8.2294 ± 0.0004 Å
• b: 36.355 ± 0.002 Å
• c: 8.1035 ± 0.0007 Å
• α: 90°
• β: 105.614 ± 0.007°
• γ: 90°
• Cell volume: 2334.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.451
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes