Information card for entry 4333280

Structure parameters

• Formula: C16 H11 F6 N5 O3.5 P Re
• Calculated formula: C16 H11 F6 N5 O3.5 P Re
• Title of publication: Synthesis, characterization, photophysical, and computational studies of rhenium(I) tricarbonyl complexes containing the derivatives of bipyrazine.
• Authors of publication: Kirgan, Robert; Simpson, Megan; Moore, Curtis; Day, Jeff; Bui, Loan; Tanner, Clayton; Rillema, D. Paul
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6464 - 6472
• a: 8.3921 ± 0.0003 Å
• b: 8.5622 ± 0.0003 Å
• c: 14.5139 ± 0.0006 Å
• α: 90.727 ± 0.002°
• β: 104.25 ± 0.002°
• γ: 95.379 ± 0.002°
• Cell volume: 1005.66 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0171
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No