Information card for entry 7702642

Structure parameters

• Formula: C28 H23 Cl N6 O P Re
• Calculated formula: C28 H23 Cl N6 O P Re
• Title of publication: Complexes of phosphine–phenolate ligands with the [ReO]3+ and [Re(HNNC5H4N)(NNC5H4N)]2+ cores
• Authors of publication: Kovacs, Michael S.; Hein, Peter; Sattarzadeh, Sherwin; Patrick, Brian O.; Emge, Thomas J.; Orvig, Chris
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 3015
• a: 12.294 ± 0.002 Å
• b: 14.5 ± 0.004 Å
• c: 14.999 ± 0.005 Å
• α: 90 ± 0.02°
• β: 90 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 2673.8 ± 1.2 ų
• Cell temperature: 153 ± 5 K
• Ambient diffraction temperature: 153 ± 5 K
• Number of distinct elements: 7
• 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: 0.026
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No