Information card for entry 1567679

Structure parameters

• Chemical name: (DPMGe(Se)N(TMS)2CuI)2
• Formula: C78 H98 Cu2 Ge2 I2 N6 Se2 Si4
• Calculated formula: C78 H98 Cu2 Ge2 I2 N6 Se2 Si4
• 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: 13.7954 ± 0.0007 Å
• b: 12.2314 ± 0.0006 Å
• c: 23.9124 ± 0.0012 Å
• α: 90°
• β: 90.032 ± 0.002°
• γ: 90°
• Cell volume: 4034.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No