Information card for entry 7003858

Structure parameters

• Formula: C31 H32 B Cl2 N3
• Calculated formula: C31 H32 B Cl2 N3
• SMILES: C1(=[N](c2c(cc(cc2C)C)C)[B](N1c1c(cc(cc1C)C)C)(Cl)Cl)N(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and structure of two new (guanidinate)boron dichlorides and their attempted conversion to boron(i) derivatives
• Authors of publication: Findlater, Michael; Hill, Nicholas J.; Cowley, Alan H.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 33
• Pages of publication: 4419 - 4423
• a: 16.925 ± 0.005 Å
• b: 12.612 ± 0.005 Å
• c: 16.354 ± 0.005 Å
• α: 90°
• β: 104.074 ± 0.005°
• γ: 90°
• Cell volume: 3386 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No