Information card for entry 4342044

Structure parameters

• Formula: C79 H86 B2 N4 Pt Rh2 S2
• Calculated formula: C79 H86 B2 N4 Pt Rh2 S2
• SMILES: [Pt]12([S]3[Rh]4567([S]1[Rh]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)CCCN1C=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: 18.9565 ± 0.0011 Å
• b: 14.9634 ± 0.0007 Å
• c: 25.6965 ± 0.0015 Å
• α: 90°
• β: 106.187 ± 0.0019°
• γ: 90°
• Cell volume: 7000 ± 0.7 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: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No