Information card for entry 7117555

Structure parameters

• Formula: C64 H68 Cl2 N4 O P4
• Calculated formula: C64 H66 Cl2 N4 O P4
• Title of publication: Tuning PCP-Ir complexes: the impact of an N-heterocyclic olefin.
• Authors of publication: Iglesias, Manuel; Iturmendi, Amaia; Sanz Miguel, Pablo J.; Polo, Victor; Pérez-Torrente, Jesús J; Oro, Luis A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 62
• Pages of publication: 12431 - 12434
• a: 6.515 ± 0.0005 Å
• b: 27.407 ± 0.002 Å
• c: 16.8094 ± 0.0014 Å
• α: 90°
• β: 97.149 ± 0.002°
• γ: 90°
• Cell volume: 2978.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.094
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No