Information card for entry 7702641

Structure parameters

• Formula: C46 H38 Cl N6 O2 P2 Re
• Calculated formula: C46 H38 Cl N6 O2 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: 14.944 ± 0.0008 Å
• b: 16.1173 ± 0.0007 Å
• c: 19.0034 ± 0.0014 Å
• α: 81.996 ± 0.002°
• β: 77.802 ± 0.002°
• γ: 78.955 ± 0.002°
• Cell volume: 4367.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No