Information card for entry 1519147

Structure parameters

• Formula: C16 H30 Cl2 N P Se Ti
• Calculated formula: C16 H30 Cl2 N P Se Ti
• SMILES: [Ti]12345([Se]P(=[N]1C(C)C)(C(C)(C)C)C(C)(C)C)(Cl)(Cl)[cH]1[cH]3[cH]4[cH]5[cH]21
• Title of publication: C16H30Cl2NPSeTi
• Authors of publication: Bochmann, Manfred; Hursthouse, Michael B.; Coles, Simon J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1994
• Pages of publication: 1191
• a: 8.813 ± 0.007 Å
• b: 15.0422 ± 0.0005 Å
• c: 31.232 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4140 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1173
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No