Information card for entry 4066443

Structure parameters

• Common name: JY-98
• Chemical name: tilley04
• Formula: C54 H46 Cl8 N4 Ni3 Si2
• Calculated formula: C54 H46 Cl8 N4 Ni3 Si2
• SMILES: c1ccc2cccc3c2[n]1[Ni]124([Si]563(c3cccc7ccc[n](c37)[Ni]3725[n]2cccc5cccc(c25)[Si]213(c1cccc3ccc[n](c13)[Ni]4672Cl)c1ccccc1)c1ccccc1)Cl.C(CCl)Cl.C(CCl)Cl.C(CCl)Cl
• Title of publication: Nickel Complexes with Bis(8-quinolyl)silyl Ligands. An Unusual Ni3Si2Cluster Containing Six-Coordinate Silicon†
• Authors of publication: Yang, Jian; Del Rosal, Iker; Fasulo, Meg; Sangtrirutnugul, Preeyanuch; Maron, Laurent; Tilley, T. Don
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5544
• a: 18.0662 ± 0.0011 Å
• b: 11.6179 ± 0.0007 Å
• c: 26.6833 ± 0.0017 Å
• α: 90°
• β: 104.887 ± 0.001°
• γ: 90°
• Cell volume: 5412.6 ± 0.6 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No