Information card for entry 7042082

Structure parameters

• Formula: C38 H76 Cd2 N4 O2 Se2 Si4
• Calculated formula: C38 H76 Cd2 N4 O2 Se2 Si4
• SMILES: N([Si](C)(C)C)([Cd]12[O](C(C)(C)C[Se]1c1ccccc1CN(C)C)[Cd]1(N([Si](C)(C)C)[Si](C)(C)C)[O]2C(C)(C)C[Se]1c1ccccc1CN(C)C)[Si](C)(C)C
• Title of publication: Cadmium complexes bearing (Me2)N^E^O(-) (E = S, Se) organochalcogenoalkoxides and their zinc and mercury analogues.
• Authors of publication: Pop, Alexandra; Bellini, Clément; Şuteu, Răzvan; Dorcet, Vincent; Roisnel, Thierry; Carpentier, Jean-François; Silvestru, Anca; Sarazin, Yann
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3179 - 3191
• a: 9.2472 ± 0.0009 Å
• b: 12.5669 ± 0.001 Å
• c: 13.1946 ± 0.0014 Å
• α: 71.041 ± 0.004°
• β: 70.219 ± 0.004°
• γ: 69.424 ± 0.004°
• Cell volume: 1313.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No