Information card for entry 7110383

Structure parameters

• Common name: Sodium bis-tropp-iridate
• Formula: C82 H98 Ir Na O7 P2
• Calculated formula: C82 H98 Ir Na O7 P2
• SMILES: C12c3c([CH]4=[CH](c5c1cccc5)[Ir]154([P]2(c2ccccc2)c2ccccc2)[CH]2c4c(C(c6c([CH]1=2)cccc6)[P]5(c1ccccc1)c1ccccc1)cccc4)cccc3.C1CCCO1.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis of stable monomeric iridium(0) and iridium(−1) complexes
• Authors of publication: Boulmaâz, Souâd; Loss, Sandra; Schönberg, Hartmut; Deblon, Stephan; Wörle, Michael; Nesper, Reinhard; Grützmacher, Hansjörg; Mlakar, Marina
• Journal of publication: Chemical Communications
• Year of publication: 1998
• Journal issue: 23
• Pages of publication: 2623
• a: 23.777 ± 0.004 Å
• b: 12.679 ± 0.002 Å
• c: 23.819 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7181 ± 2 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.1314
• Weighted residual factors for significantly intense reflections: 0.0969
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No