Information card for entry 7123461

Structure parameters

• Formula: C32.5 H59 Cl5 Ir2 N4
• Calculated formula: C32.5 H59 Cl5 Ir2 N4
• 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: 25.3023 ± 0.0002 Å
• b: 14.75173 ± 0.00012 Å
• c: 20.32938 ± 0.00018 Å
• α: 90°
• β: 93.863 ± 0.0008°
• γ: 90°
• Cell volume: 7570.76 ± 0.11 ų
• Cell temperature: 99.9 K
• Ambient diffraction temperature: 99.9 K
• Number of distinct elements: 5
• 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: 0.0581
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No