Information card for entry 4337097

Structure parameters

• Formula: C78 H84 B2 Ir2 N4 Pt S2
• Calculated formula: C78 H84 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]4([c]5([c]6([c]71C)C)C)C)C)=C1N(C=CN1C)CCN1C=2N(C=C1)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: π-Back-Bonding Interaction Depending on the Bridging Chain Lengths of Chelated N-Heterocyclic Carbene Platinum Units in Heterometallic Trinuclear Complexes Affecting Their Electrochemical Property.
• Authors of publication: Maeda, Yuri; Hashimoto, Hideki; Kinoshita, Isamu; Nishioka, Takanori
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 661 - 663
• a: 12.25 ± 0.0009 Å
• b: 19.8908 ± 0.0015 Å
• c: 28.782 ± 0.003 Å
• α: 90°
• β: 92.822 ± 0.005°
• γ: 90°
• Cell volume: 7004.6 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No