Information card for entry 4337236

Structure parameters

• Formula: C54 H98 N8 Ni O12 S4
• Calculated formula: C54 H98 N8 Ni O12 S4
• SMILES: [Ni]12([S]=C(N3CCN(CCN(CCN(CC3)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)S1)[S]=C(N1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)S2
• Title of publication: Multimetallic Complexes and Functionalized Gold Nanoparticles Based on a Combination of d- and f-Elements.
• Authors of publication: Sung, Simon; Holmes, Holly; Wainwright, Luke; Toscani, Anita; Stasiuk, Graeme J.; White, Andrew J. P.; Bell, Jimmy D.; Wilton-Ely, James D E T
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 1989 - 2005
• a: 11.2673 ± 0.0005 Å
• b: 12.2807 ± 0.0005 Å
• c: 13.3887 ± 0.0004 Å
• α: 111.889 ± 0.003°
• β: 94.522 ± 0.003°
• γ: 104.051 ± 0.003°
• Cell volume: 1637.83 ± 0.12 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No