Information card for entry 7102034

Structure parameters

• Formula: C61 H96 Ag F3 N8 O3 S Ti6
• Calculated formula: C60 H96 Ag N8 Ti6
• SMILES: N12[Ti]34567([c]8([c]3([c]4([c]5([c]68C)C)C)C)C)N[Ti]34561([c]1([c]6([c]5([c]4([c]31C)C)C)C)C)[NH]([Ag][NH]1[Ti]34568(N9[Ti]%10%11%12%13([c]%14([c]%10([c]%11([c]%12([c]%13%14C)C)C)C)C)(N8)N[Ti]8%10%11%1219[c]1([c]8([c]%10([c]%11([c]%121C)C)C)C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C)[Ti]13452(N7)[c]2([c]1([c]3([c]4([c]52C)C)C)C)C
• Title of publication: Encapsulation of a trinuclear silver(I) cluster by two imido-nitrido metalloligands [{Ti(eta5-C5Me5)(micro-NH)}3(micro3-N)].
• Authors of publication: Martín, Avelino; Martínez-Espada, Noelia; Mena, Miguel; Yélamos, Carlos
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 28
• Pages of publication: 2983 - 2985
• a: 11.6024 ± 0.0018 Å
• b: 11.6193 ± 0.0011 Å
• c: 14.7433 ± 0.0018 Å
• α: 109.264 ± 0.009°
• β: 111.742 ± 0.012°
• γ: 95.191 ± 0.009°
• Cell volume: 1690.8 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1055
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.2514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No