Information card for entry 7061250

Structure parameters

• Formula: C18 H21 In N6 Se3
• Calculated formula: C18 H21 In N6 Se3
• SMILES: c1(nc(cc(C)n1)C)[Se][In]12([n]3c(nc(cc3C)C)[Se]1)[n]1c(nc(cc1C)C)[Se]2
• Title of publication: Synthesis of photo-responsive indium selenides (InSe and In2Se3) from tris(4,6-dimethyl-2-pyrimidylselenolato)indium(iii) as a molecular precursor
• Authors of publication: Karmakar, Gourab; Shah, Alpa Y.; Tyagi, Adish; Wadawale, A. P.; Kedarnath, G.; Kumar, N. Naveen; Bahadur, Jitendra
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 3871 - 3881
• a: 14.9248 ± 0.0002 Å
• b: 14.988 ± 0.0002 Å
• c: 22.0289 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4927.71 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No