Information card for entry 7027761

Structure parameters

• Formula: C10 H10 Cl3 N4 O Re
• Calculated formula: C10 H10 Cl3 N4 O Re
• SMILES: [Re]1(Cl)(Cl)(Cl)(=O)[n]2ccn(c2N=[N]1c1ccccc1)C
• Title of publication: Synthesis, structure and properties of [ReVL(O)Cl3], [ReVL(NR)Cl3], [ReIIIL(OPPh3)Cl3], and [ReIIIL(PPh3)Cl3] [L = 2-(arylazo)-1-methylimidazole, R = aryl] †
• Authors of publication: Chakraborty, Indranil; Bhattacharyya, Sibaprasad; Banerjee, Sangeeta; Kumar Dirghangi, Bimal; Chakravorty, Animesh
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 21
• Pages of publication: 3747
• a: 14.231 ± 0.007 Å
• b: 7.716 ± 0.003 Å
• c: 13.409 ± 0.006 Å
• α: 90°
• β: 101.41 ± 0.04°
• γ: 90°
• Cell volume: 1443.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.0637
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No