Information card for entry 7702816

Structure parameters

• Common name: [Re(CO)3Cl(big)]
• Formula: C13 H10 Cl N4 O5 Re
• Calculated formula: C13 H10 Cl N4 O5 Re
• Title of publication: Coordination ambivalence of the electroactive bis-chelate ligand bis(1-methyl-2-imidazolyl)glyoxal (BIG) in mononuclear and dinuclear complexes with Re(CO)3Cl
• Authors of publication: Knödler, Axel; Wanner, Matthias; Fiedler, Jan; Kaim, Wolfgang
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 3079
• a: 19.562 ± 0.004 Å
• b: 15.552 ± 0.003 Å
• c: 13.249 ± 0.003 Å
• α: 90°
• β: 127.12 ± 0.03°
• γ: 90°
• Cell volume: 3214 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.494
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No