Information card for entry 2009250

Structure parameters

• Chemical name: Trichloro((p-aminophenyl)imido)(N-pchloro-pyridine-2-aldimine)rhenium(V).
• Formula: C18 H15 Cl4 N4 Re
• Calculated formula: C18 H15 Cl4 N4 Re
• SMILES: [Re]1(Cl)(Cl)(Cl)([n]2c(cccc2)C=[N]1c1ccc(Cl)cc1)=Nc1ccc(N)cc1
• Title of publication: A rhenium(V)‒arylimide species incorporating pyridine-2-aldimine chelation
• Authors of publication: Banerjee, Sangeeta; Bhattacharyya, Sibaprasad; Chakraborty, Indranil; Dirghangi, Bimal Kumar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2000 - 2002
• a: 8.533 ± 0.008 Å
• b: 10.643 ± 0.008 Å
• c: 12.287 ± 0.012 Å
• α: 110.23 ± 0.07°
• β: 92.65 ± 0.07°
• γ: 103.34 ± 0.07°
• Cell volume: 1009 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections: 1.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No