Information card for entry 1567686

Structure parameters

• Chemical name: (DPMGe(S)N(TMS)2CuI)2
• Formula: C78 H98 Cu2 Ge2 I2 N6 S2 Si4
• Calculated formula: C78 H98 Cu2 Ge2 I2 N6 S2 Si4
• SMILES: C1(c2ccccc2)=c2ccc([n]2[Ge](n2c1ccc2c1c(cc(cc1C)C)C)(N([Si](C)(C)C)[Si](C)(C)C)S[Cu]12[Cu]([I]1)([I]2)S[Ge]1([n]2c(=C(c3ccccc3)c3ccc(n13)c1c(C)cc(C)cc1C)ccc2c1c(C)cc(cc1C)C)N([Si](C)(C)C)[Si](C)(C)C)c1c(C)cc(C)cc1C
• 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: 13.947 ± 0.002 Å
• b: 12.306 ± 0.002 Å
• c: 23.936 ± 0.004 Å
• α: 90°
• β: 90.327 ± 0.006°
• γ: 90°
• Cell volume: 4108.1 ± 1.1 ų
• Cell temperature: 278 ± 2 K
• Ambient diffraction temperature: 278 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: 0.0564
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0776
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No