Information card for entry 4076985

Structure parameters

• Formula: C36 H65 Mg N5 Si2 Ti3
• Calculated formula: C36 H62 Mg N5 Si2 Ti3
• Title of publication: Titanium−Group 2 Metal Molecular Nitrides
• Authors of publication: Martín, Avelino; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 16
• Pages of publication: 3308
• a: 11.7382 ± 0.0015 Å
• b: 11.936 ± 0.002 Å
• c: 18.018 ± 0.003 Å
• α: 84.816 ± 0.015°
• β: 74.527 ± 0.012°
• γ: 66.571 ± 0.014°
• Cell volume: 2232 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1599
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No