Information card for entry 7003857

Structure parameters

• Formula: C37 H44 B Cl2 N3
• Calculated formula: C37 H44 B Cl2 N3
• SMILES: C1(=[N](c2c(cccc2C(C)C)C(C)C)[B](N1c1c(cccc1C(C)C)C(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: 12.258 ± 0.005 Å
• b: 10.481 ± 0.004 Å
• c: 16.149 ± 0.005 Å
• α: 90°
• β: 124.9 ± 0.02°
• γ: 90°
• Cell volume: 1701.6 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1455
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No