Information card for entry 7103612

Structure parameters

• Formula: C60 H92 Hg2 N8 Ti6
• Calculated formula: C60 H92 Hg2 N8 Ti6
• SMILES: [c]12([c]3([c]4([c]5([c]2([Ti]261345N[Ti]13457([c]8([c]1(C)[c]5([c]4([c]38C)C)C)C)N2[Ti]12345([c]8([c]4([c]3([c]2([c]18C)C)C)C)C)N6[Hg]N1[Ti]23468(N9[Ti]%10%11%12%13([c]%14([c]%10([c]%11([c]%12([c]%13%14C)C)C)C)C)(N8)N([Hg]N75)[Ti]578%1019[c]1([c]%10([c]8([c]7([c]51C)C)C)C)C)[c]1([c]2([c]3([c]4([c]61C)C)C)C)C)C)C)C)C)C
• Title of publication: Mercury or silver atoms bridging trinuclear titanium imido-nitrido systems.
• Authors of publication: Martín, Avelino; Martínez-Espada, Noelia; Mena, Miguel; Mosquera, Marta E G; Pérez-Redondo, Adrián; Yélamos, Carlos
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 48
• Pages of publication: 6561 - 6563
• a: 10.977 ± 0.002 Å
• b: 20.139 ± 0.003 Å
• c: 14.837 ± 0.002 Å
• α: 90°
• β: 104.01 ± 0.02°
• γ: 90°
• Cell volume: 3182.4 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No