Information card for entry 1553262

Structure parameters

• Formula: C29.2 H31.8 Cl Ir N5 O0.2
• Calculated formula: C29.2 H31.8 Cl Ir N5 O0.2
• Title of publication: Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity.
• Authors of publication: Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2018
• Journal volume: 61
• Journal issue: 16
• Pages of publication: 7330 - 7344
• a: 9.804 ± 0.00017 Å
• b: 15.8991 ± 0.0002 Å
• c: 18.4457 ± 0.0003 Å
• α: 82.7271 ± 0.0013°
• β: 86.7456 ± 0.0014°
• γ: 72.239 ± 0.0014°
• Cell volume: 2715.65 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No