Information card for entry 7023339

Structure parameters

• Formula: C37 H33 N3 O2 P Re S
• Calculated formula: C37 H33 N3 O2 P Re S
• SMILES: [Re]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)(Oc4ccccc4C=[N]2C(C[N]3=Cc2ccccc2O1)(C)C)N=C=S
• Title of publication: Novel rhenium(III, IV, and V) tetradentate N2O2 Schiff base mononuclear and dinuclear complexes.
• Authors of publication: Rotsch, David A.; Reinig, Kimberly M.; Weis, Eric M.; Taylor, Anna B.; Barnes, Charles L.; Jurisson, Silvia S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11614 - 11625
• a: 39.067 ± 0.008 Å
• b: 8.746 ± 0.0018 Å
• c: 19.104 ± 0.004 Å
• α: 90°
• β: 97.644 ± 0.002°
• γ: 90°
• Cell volume: 6469 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.083
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No