Information card for entry 7700918

Structure parameters

• Formula: C15 H13 Cl N3 O3 Re
• Calculated formula: C15 H13 Cl N3 O3 Re
• Title of publication: Rhenium bipyridine catalysts with hydrogen bonding pendant amines for CO₂ reduction.
• Authors of publication: Hellman, Ashley N.; Haiges, Ralf; Marinescu, Smaranda C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 38
• Pages of publication: 14251 - 14255
• a: 7.333 ± 0.002 Å
• b: 8.821 ± 0.003 Å
• c: 13.059 ± 0.004 Å
• α: 91.69 ± 0.004°
• β: 99.041 ± 0.004°
• γ: 107.903 ± 0.004°
• Cell volume: 791.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0162
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No