Information card for entry 1567685

Structure parameters

• Chemical name: (DPMGe(S)N(TMS)2CuBr)2
• Formula: C84 H112 Br2 Cu2 Ge2 N6 S2 Si4
• Calculated formula: C84 H112 Br2 Cu2 Ge2 N6 S2 Si4
• SMILES: C1(c2ccccc2)=c2[n]([Ge](n3c1ccc3c1c(cc(cc1C)C)C)(N([Si](C)(C)C)[Si](C)(C)C)S[Cu]13[Br][Cu]3(S[Ge]3([n]4c(=C(c5ccccc5)c5ccc(n35)c3c(C)cc(cc3C)C)ccc4c3c(cc(cc3C)C)C)N([Si](C)(C)C)[Si](C)(C)C)[Br]1)c(cc2)c1c(C)cc(cc1C)C.CCCCCC
• 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: 12.3707 ± 0.0004 Å
• b: 12.4183 ± 0.0004 Å
• c: 16.7015 ± 0.0005 Å
• α: 89.009 ± 0.001°
• β: 74.715 ± 0.001°
• γ: 61.241 ± 0.001°
• Cell volume: 2151.41 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0443
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No