Information card for entry 1544659

Structure parameters

• Formula: C22 H12 I N6 O3 Re
• Calculated formula: C22 H12 I N6 O3 Re
• SMILES: [Re]1(C#[O])(C#[O])(C#[O])([n]2c3c(ccc2)ccc2c3[n]1ccc2)n1nc(nn1)c1ccc(I)cc1
• Title of publication: Intracellular distribution and stability of a luminescent rhenium(i) tricarbonyl tetrazolato complex using epifluorescence microscopy in conjunction with X-ray fluorescence imaging.
• Authors of publication: Wedding, J. L.; Harris, H. H.; Bader, C. A.; Plush, S. E.; Mak, R.; Massi, M.; Brooks, D. A.; Lai, B.; Vogt, S.; Werrett, M. V.; Simpson, P. V.; Skelton, B. W.; Stagni, S.
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 382 - 390
• a: 7.0191 ± 0.0003 Å
• b: 18.0476 ± 0.0008 Å
• c: 16.9652 ± 0.0006 Å
• α: 90°
• β: 99.85 ± 0.003°
• γ: 90°
• Cell volume: 2117.44 ± 0.15 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No