Information card for entry 7025378

Structure parameters

• Formula: C39 H31 N4 O9 Re
• Calculated formula: C39 H31 N4 O9 Re
• Title of publication: One and two photon fluorescent complexes of rhenium and their technetium analogues.
• Authors of publication: Botchway, Stanley; Dilworth, Jonathan R.; Salichou, Maria
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5219 - 5220
• a: 12.2213 ± 0.0002 Å
• b: 16.4515 ± 0.0002 Å
• c: 17.8066 ± 0.0002 Å
• α: 90°
• β: 100.289 ± 0.0003°
• γ: 90°
• Cell volume: 3522.6 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 5
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for all reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.0311
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No