Information card for entry 7102035

Structure parameters

• Formula: C70 H104 Ag3 F9 N8 O9 S3 Ti6
• Calculated formula: C63 H96 Ag3 F9 N8 O9 S3 Ti6
• SMILES: C(F)(F)(F)S(=O)(=O)O[Ag]123[Ag]45([Ag]1([NH]1[Ti]6789%10([c]%13([c]6([c]7([c]8([c]9%13C)C)C)C)C)N6[Ti]789%13([c]%11([c]%13([c]9([c]8([c]7%11C)C)C)C)C)([NH]2%10)[NH]4[Ti]247816[c]1([c]2([c]4([c]7([c]81C)C)C)C)C)([NH]1[Ti]24678([c]%11([c]2([c]4([c]6([c]7%11C)C)C)C)C)N2[Ti]467%11([c]9([c]4([c]6([c]7([c]%119C)C)C)C)C)([NH]58)[NH]3[Ti]345612[c]1([c]6([c]5([c]4([c]31C)C)C)C)C)OS(=O)(=O)C(F)(F)F)OS(=O)(C(F)(F)F)=O
• 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: 16.058 ± 0.003 Å
• b: 20.694 ± 0.006 Å
• c: 37.507 ± 0.011 Å
• α: 90°
• β: 93.956 ± 0.019°
• γ: 90°
• Cell volume: 12434 ± 5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.0982
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No