Information card for entry 1519140

Structure parameters

• Formula: C22 H50 N2 P2 Se2 Zn
• Calculated formula: C22 H50 N2 P2 Se2 Zn
• SMILES: [Zn]12([Se]P(=[N]1C(C)C)(C(C)(C)C)C(C)(C)C)[Se]P(=[N]2C(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: C22H50N2P2Se2Zn
• 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: 1195
• a: 15.815 ± 0.005 Å
• b: 11.848 ± 0.008 Å
• c: 16.041 ± 0.005 Å
• α: 90°
• β: 90.565 ± 0.018°
• γ: 90°
• Cell volume: 3006 ± 2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No