Information card for entry 7032901

Structure parameters

• Formula: C41 H27 Cl Ir N6 O
• Calculated formula: C41 H27 Cl Ir N6 O
• Title of publication: Development of a cyclometalated iridium complex with specific intramolecular hydrogen-bonding that acts as a fluorescent marker for the endoplasmic reticulum and causes photoinduced cell death.
• Authors of publication: Mandal, Soumik; Poria, Dipak K.; Ghosh, Ritabrata; Ray, Partho Sarothi; Gupta, Parna
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 46
• Pages of publication: 17463 - 17474
• a: 9.65 ± 0.004 Å
• b: 15.353 ± 0.006 Å
• c: 25.967 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3847 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0986
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No