Information card for entry 7013031

Structure parameters

• Formula: C29.5 H34.5 Cl3.5 Ir N6 P
• Calculated formula: C29.5 H34.5 Cl3.5 Ir N6 P
• Title of publication: Synthesis and coordination chemistry of aminophosphine derivatives of adenineElectronic supplementary information (ESI) available: Preparation of all compounds apart from L1 and complex 11; Tables S1?S8: NMR spectral data of all the compounds. See http://www.rsc.org/suppdata/dt/b3/b303715k
• Authors of publication: Zhang, Qingzhi; Hua, Guoxiong; Bhattacharyya, Pravat; Slawin, Alexandra M. Z.; Derek Woollins, J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 16
• Pages of publication: 3250
• a: 14.8735 ± 0.0011 Å
• b: 10.7643 ± 0.0008 Å
• c: 20.7773 ± 0.0015 Å
• α: 90°
• β: 98.12 ± 0.002°
• γ: 90°
• Cell volume: 3293.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1394
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No