Information card for entry 1519150

Structure parameters

• Formula: C35 H66 Cl2 N2 P2 Se2 Ti
• Calculated formula: C35 H66 Cl2 N2 P2 Se2 Ti
• SMILES: [Ti]12([Se]P(=[N]1C1CCCCC1)(C(C)(C)C)C(C)(C)C)([Se]P(=[N]2C1CCCCC1)(C(C)(C)C)C(C)(C)C)(Cl)Cl.c1ccccc1C
• Title of publication: C28H58Cl2N2P2Se2Ti, C7H8
• Authors of publication: Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1994
• Pages of publication: 1196
• a: 13.233 ± 0.007 Å
• b: 17.2161 ± 0.001 Å
• c: 35.163 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8011 ± 5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No