Information card for entry 1567677

Structure parameters

• Chemical name: DPMGe(S)Ph
• Formula: C39 H36 Ge N2 S
• Calculated formula: C39 H36 Ge N2 S
• SMILES: [Ge]1(=S)([n]2c(=C(c3ccccc3)c3n1c(cc3)c1c(cc(cc1C)C)C)ccc2c1c(C)cc(cc1C)C)c1ccccc1
• Title of publication: Air and water stable germacarbonyl compounds
• Authors of publication: Mahawar, Pritam; Shukla, Pratima; Chandra Joshi, Prakash; Singh, Dharmendra; Kumar, Hemant; Mukherjee, Goutam; Nagendran, Selvarajan
• Journal of publication: Chemical Science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 42
• Pages of publication: 12382 - 12388
• a: 7.9949 ± 0.0005 Å
• b: 21.1802 ± 0.0014 Å
• c: 19.6152 ± 0.0013 Å
• α: 90°
• β: 99.409 ± 0.003°
• γ: 90°
• Cell volume: 3276.8 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0887
• Weighted residual factors for significantly intense reflections: 0.2482
• Weighted residual factors for all reflections included in the refinement: 0.2521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No