Information card for entry 7037345

Structure parameters

• Formula: C32 H32 Cl Ir N4 O
• Calculated formula: C32 H32 Cl Ir N4 O
• Title of publication: Vibrational circular dichroism and chiroptical properties of chiral Ir(iii) luminescent complexes.
• Authors of publication: Mazzeo, Giuseppe; Fusè, Marco; Longhi, Giovanna; Rimoldi, Isabella; Cesarotti, Edoardo; Crispini, Alessandra; Abbate, Sergio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 992 - 999
• a: 10.662 ± 0.003 Å
• b: 14.595 ± 0.003 Å
• c: 18.403 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2863.7 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0211
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0444
• Weighted residual factors for all reflections included in the refinement: 0.0457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No