Information card for entry 7032553

Structure parameters

• Formula: C28 H36 B Cl2 N2 P
• Calculated formula: C28 H36 B Cl2 N2 P
• SMILES: [B]1([N](c2c(cccc2C(C)C)C(C)C)=P(c2ccccc2)(c2ccccc2)N1C(C)(C)C)(Cl)Cl
• Title of publication: A new bulky iminophosphonamide as an N,N'-chelating ligand: synthesis and structural characterization of heteroleptic group 13 element complexes.
• Authors of publication: Prashanth, Billa; Singh, Sanjay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 44
• Pages of publication: 16880 - 16888
• a: 9.991 ± 0.003 Å
• b: 15.962 ± 0.005 Å
• c: 17.013 ± 0.005 Å
• α: 90°
• β: 99.83 ± 0.012°
• γ: 90°
• Cell volume: 2673.3 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No