Information card for entry 7702640

Structure parameters

• Formula: C44 H41 N2 O5 P2 Re
• Calculated formula: C44 H41 N2 O5 P2 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: 9.5519 ± 0.0003 Å
• b: 18.9971 ± 0.0006 Å
• c: 21.8244 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3960.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 0.618
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No