Information card for entry 7123460

Structure parameters

• Formula: C16 H31 Cl2 Ir N2 O
• Calculated formula: C16 H31 Cl2 Ir N2 O
• Title of publication: Iridium piano stool complexes with activity against <i>S. aureus</i> and MRSA: it is past time to truly think outside of the box.
• Authors of publication: DuChane, Christine M.; Karpin, George W.; Ehrich, Marion; Falkinham, 3rd, Joseph O; Merola, Joseph S.
• Journal of publication: MedChemComm
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 1391 - 1398
• a: 9.16689 ± 0.00015 Å
• b: 20.2059 ± 0.0004 Å
• c: 21.1011 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3908.46 ± 0.12 ų
• Cell temperature: 100 ± 0.6 K
• Ambient diffraction temperature: 100 ± 0.6 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No