Information card for entry 4314508

Structure parameters

• Formula: C102 H84 Cl8 In8 N16 O7 S8
• Calculated formula: C102 H70 Cl8 In8 N16 O7 S8
• SMILES: [In]123(Cl)([S]4[In]56(Cl)([S]7[In]84(Cl)([S]1[In]17(Cl)([S]25)[n]2c4c5[n]1cccc5ccc4ccc2)[n]1c2c4[n]8cccc4ccc2ccc1)[n]1cccc2c1c1[n]6cccc1cc2)[n]1cccc2c1c1[n]3cccc1cc2.C(CO)O.OCCO.O
• 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: 16.2321 ± 0.0019 Å
• b: 18.453 ± 0.002 Å
• c: 20.458 ± 0.003 Å
• α: 103.007 ± 0.003°
• β: 107.427 ± 0.002°
• γ: 98.118 ± 0.002°
• Cell volume: 5551.2 ± 1.2 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: 0.0931
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.163
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No