Information card for entry 7037031

Structure parameters

• Formula: C18 H14 Cl3 N2 O4 Re S
• Calculated formula: C18 H14 Cl3 N2 O4 Re S
• Title of publication: Rhenium tetrazolato complexes coordinated to thioalkyl-functionalised phenanthroline ligands: synthesis, photophysical characterisation, and incubation in live HeLa cells.
• Authors of publication: Werrett, Melissa V.; Wright, Phillip J.; Simpson, Peter V.; Raiteri, Paolo; Skelton, Brian W.; Stagni, Stefano; Buckley, Alysia G.; Rigby, Paul J.; Massi, Massimiliano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20636 - 20647
• a: 10.1763 ± 0.0005 Å
• b: 20.8369 ± 0.0004 Å
• c: 10.3782 ± 0.0003 Å
• α: 90°
• β: 110.147 ± 0.004°
• γ: 90°
• Cell volume: 2065.97 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No