Information card for entry 7714124

Structure parameters

• Formula: C18 H21 Bi N6 S3
• Calculated formula: C18 H21 Bi N6 S3
• SMILES: [Bi]1(Sc2nc(cc([n]12)C)C)(Sc1nc(cc(n1)C)C)Sc1nc(cc(n1)C)C
• Title of publication: Controlled Synthesis of Photoresponsive Bismuthinite (Bi2S3) Nanostructures Mediated Through a New 1D Bismuth-pyrimidylthiolate Coordination Polymer as Molecular Precursor
• Authors of publication: Kulkarni, Atharva Yeshwant; Karmakar, Gourab; Shah, Alpa Y.; Nigam, Sandeep; Kumbhare, Gayatri; Tyagi, Adish; Butcher, Raymond J.; Chauhan, Rohit Singh; Kumar, N. Naveen
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.9192 ± 0.0003 Å
• b: 10.9751 ± 0.0003 Å
• c: 18.2572 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2187.93 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0159
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No