Information card for entry 4314507

Structure parameters

• Formula: C48 H32 Cl4 In4 N8 O0 Se4
• Calculated formula: C48 H32 Cl4 In4 N8 Se4
• SMILES: [In]123([Se]4[In]56([Se]7[In]8([Se]1[In]147(Cl)[n]4cccc7c4c4[n]1cccc4cc7)([Se]25)(Cl)[n]1cccc2c1c1[n]8cccc1cc2)(Cl)[n]1cccc2c1c1[n]6cccc1cc2)(Cl)[n]1c2c(ccc4c2[n]3ccc4)ccc1
• Title of publication: Indium Chalcogenido Clusters Coordinated by 1,10-Phenanthroline, [InQ(phen)Cl]4 (Q = Se, S), a Simplified Model of Inorganic-Organic Hybrid Material with Cluster-to-Ligand Charge Transfer
• Authors of publication: Zhi-Xin Lei; Qin-Yu Zhu; Ming-Hui Zhang; Jian-Bing Jiang; Ya-Ping Zhang; Jie Dai
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 353 - 355
• a: 12.1496 ± 0.0006 Å
• b: 12.1496 ± 0.0006 Å
• c: 34.47 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5088.2 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No