Information card for entry 7049872

Structure parameters

• Formula: C25 H16 Cl N4 O4 Re
• Calculated formula: C25 H16 Cl N4 O4 Re
• Title of publication: Experimental and theoretical investigation of a metalloreceptor bearing a [Re(CO)3]+ core incorporating a multifunctional ligand: selective reactivity towards Zn2+ and CN− ions
• Authors of publication: Das, Tapashi; Rajak, Kajal Krishna
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 31.198 ± 0.008 Å
• b: 9.814 ± 0.002 Å
• c: 17.652 ± 0.004 Å
• α: 90°
• β: 117.801 ± 0.012°
• γ: 90°
• Cell volume: 4781 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No