Information card for entry 2237070

Structure parameters

• Chemical name: Trichlorido(5,5'-dimethyl-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')(dimethylformamide-κ<i>O</i>)indium(III) hemihydrate
• Formula: C15 H20 Cl3 In N3 O1.5
• Calculated formula: C15 H20 Cl3 In N3 O1.5
• SMILES: c1c(C)ccc2c3ccc(C)c[n]3[In]([n]12)([O]=CN(C)C)(Cl)(Cl)Cl.O
• Title of publication: Trichlorido(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')(dimethylformamide-κ<i>O</i>)indium(III) hemihydrate
• Authors of publication: Shirvan, Sadif A.; Haydari Dezfuli, Sara; Khazali, Fereydoon; Aghajeri, Manouchehr; Borsalani, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1448 - m1449
• a: 11.3021 ± 0.0005 Å
• b: 11.4445 ± 0.0005 Å
• c: 15.086 ± 0.0006 Å
• α: 91.089 ± 0.004°
• β: 96.024 ± 0.003°
• γ: 96.448 ± 0.004°
• Cell volume: 1927.34 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0507
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes