Information card for entry 4342048

Structure parameters

• Formula: C81 H90 B2 Ir2 N4 Pt S2
• Calculated formula: C81 H90 B2 Ir2 N4 Pt S2
• SMILES: [Pt]12([S]3[Ir]4567([S]1[Ir]389%10%11[c]1([c]%11([c]8([c]9([c]%101C)C)C)C)C)[c]1([c]7([c]4([c]5([c]61C)C)C)C)C)=C1N(C=CN1C)CN1C=2N(C=C1)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Chelated Bis-N-heterocyclic Carbene Platinum and Palladium Units as Tunable Components of Multinuclear Complexes.
• Authors of publication: Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 448 - 459
• a: 23.793 ± 0.007 Å
• b: 14.207 ± 0.004 Å
• c: 22.813 ± 0.007 Å
• α: 90°
• β: 95.626 ± 0.003°
• γ: 90°
• Cell volume: 7674 ± 4 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No