Information card for entry 4079593

Structure parameters

• Formula: C25 H21 F6 N7 O3 P Re
• Calculated formula: C25 H21 F6 N7 O3 P Re
• SMILES: [Re]1(C#[O])(C#[O])(C#[O])([n]2c3c(ccc2)ccc2c3[n]1ccc2)[n]1ccc(c2nn(C(C)(C)C)nn2)cc1.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, Photophysical and Electrochemical Investigation of Dinuclear Tetrazolato-Bridged Rhenium Complexes
• Authors of publication: Wright, Phillip J.; Muzzioli, Sara; Werrett, Melissa V.; Raiteri, Paolo; Skelton, Brian W.; Silvester, Debbie S.; Stagni, Stefano; Massi, Massimiliano
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7566
• a: 11.5325 ± 0.0003 Å
• b: 14.999 ± 0.0005 Å
• c: 16.5483 ± 0.0004 Å
• α: 90°
• β: 95.276 ± 0.002°
• γ: 90°
• Cell volume: 2850.33 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No