Information card for entry 7042745

Structure parameters

• Formula: C49 H89 Br2 Cu2 N6 Si6
• Calculated formula: C49 H89 Br2 Cu2 N6 Si6
• SMILES: [Br]1[Cu]([Br][Cu]1[Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.c1c(cccc1)C
• Title of publication: “Strikingly diverse reactivity of structurally identical silylene and stannylene"
• Authors of publication: Parvin, Nasrina; Dasgupta, Rajarshi; Pal, Shiv; Sen, Sakya Singha; Khan, Shabana
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.0391 ± 0.001 Å
• b: 16.2036 ± 0.0016 Å
• c: 18.0379 ± 0.0016 Å
• α: 85.486 ± 0.002°
• β: 72.999 ± 0.002°
• γ: 75.928 ± 0.002°
• Cell volume: 2992.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1368
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No