Information card for entry 7038418

Structure parameters

• Formula: C27 H33 Cl4 Ir N2 O2
• Calculated formula: C27 H33 Cl4 Ir N2 O2
• Title of publication: Increasing anti-cancer activity with longer tether lengths of group 9 Cp* complexes.
• Authors of publication: Lucas, Stephanie J.; Lord, Rianne M.; Basri, Aida M.; Allison, Simon J.; Phillips, Roger M.; Blacker, A. John; McGowan, Patrick C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6812 - 6815
• a: 24.353 ± 0.003 Å
• b: 16.197 ± 0.002 Å
• c: 14.631 ± 0.002 Å
• α: 90°
• β: 93.344 ± 0.007°
• γ: 90°
• Cell volume: 5761.3 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0374
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No