Information card for entry 7042338

Structure parameters

• Formula: C30 H35 Cl4 Ir N5 P
• Calculated formula: C30 H35 Cl4 Ir N5 P
• Title of publication: Regioselective C8-metalation of N-phosphine tethered adenine derivatives via C8-H activation.
• Authors of publication: Brackemeyer, D.; Schulte To Brinke, C.; Roelfes, F.; Hahn, F. E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 4510 - 4513
• a: 8.7266 ± 0.0002 Å
• b: 17.0401 ± 0.0004 Å
• c: 20.9621 ± 0.0005 Å
• α: 90°
• β: 90.952 ± 0.001°
• γ: 90°
• Cell volume: 3116.68 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No