Information card for entry 4038974

Structure parameters

• Formula: C35 H30 Br N4 O6 Re
• Calculated formula: C35 H30 Br N4 O6 Re
• Title of publication: Synthesis and characterisation of phosphorescent rhenium(I) complexes of hydroxy- and methoxy-substituted imidazo[4,5- f ]-1,10-phenanthroline ligands
• Authors of publication: Bonello, R. Owen; Pitak, Mateusz B.; Coles, Simon J.; Hallett, Andrew J.; Fallis, Ian A.; Pope, Simon J.A.
• Journal of publication: Journal of Organometallic Chemistry
• Year of publication: 2017
• Journal volume: 841
• Pages of publication: 39 - 47
• a: 11.686 ± 0.005 Å
• b: 12.634 ± 0.005 Å
• c: 24.0993 ± 0.001 Å
• α: 90°
• β: 93.38 ± 0.007°
• γ: 90°
• Cell volume: 3552 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0825
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.318
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No