Information card for entry 4315576

Structure parameters

• Formula: C108 H105 In10 N18 Ni3 O14.5 S20
• Calculated formula: C108 H72 In10 N18 Ni3 O14.5 S20
• SMILES: [In]12([S-])S[In]34S[In]5([S-])S[In]67[S]3[In]3(S1)S[In](S6)([S-])S[In]16[S]3[In]3(S2)[S]4[In](S5)([S]71)S[In](S3)(S6)[S-].[Ni]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.[Ni]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.[Ni]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Indium-Sulfur Supertetrahedral Clusters Integrated with a Metal Complex of 1,10-Phenanthroline
• Authors of publication: Zhi-Xin Lei; Qin-Yu Zhu; Xu Zhang; Wen Luo; Wen-Qin Mu; Jie Dai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4385 - 4387
• a: 16.2616 ± 0.0006 Å
• b: 18.2616 ± 0.0006 Å
• c: 26.2586 ± 0.0015 Å
• α: 80.874 ± 0.005°
• β: 82.913 ± 0.005°
• γ: 64.515 ± 0.003°
• Cell volume: 6936.7 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No