Information card for entry 4071693

Structure parameters

• Formula: C21 H34 B10 N P
• Calculated formula: C21 H34 B10 N P
• SMILES: P(N(C(C)C)C(C)C)([C]1234[CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]457[BH]768[BH]69%10[BH]81%11[BH]234[BH]5768)C1c2ccccc2c2ccccc12
• Title of publication: Synthesis and Structural Characterization of Group 4 Metal Complexes Bearing Pentavalent Phosphorus-Bridged Ligands [(C13H8)(iPr2N)P(−O)(C2B10H10)]2−and [(C13H9)(iPr2N)P(O)(C2B9H10)]2−
• Authors of publication: Wang, Hong; Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3964
• a: 11.2939 ± 0.0005 Å
• b: 11.0589 ± 0.0005 Å
• c: 20.992 ± 0.001 Å
• α: 90°
• β: 104.995 ± 0.001°
• γ: 90°
• Cell volume: 2532.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1037
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No