Information card for entry 7111183

Structure parameters

• Common name: 01058
• Formula: C15 H21 Cl Co N5 O4
• Calculated formula: C15 H20 Cl Co N5 O4
• Title of publication: Synthesis of (chlorovinyl)cobaloxime complexes, model complexes of proposed intermediates in the B12-catalyzed dehalogenation of chlorinated ethylenesElectronic supplementary information (ESI) available: full experimental details and characterization of complexes 1‒3, and X-ray diffraction data. See http://www.rsc.org/suppdata/cc/b1/b109001a/
• Authors of publication: Rich, Autumn E.; DeGreeff, Angela D.; McNeill, Kristopher
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 234
• a: 9.63 ± 0.002 Å
• b: 12.377 ± 0.002 Å
• c: 15.402 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1835.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No