Information card for entry 4071696

Structure parameters

• Formula: C25 H45 B9 N3 O P Zr
• Calculated formula: C25 H45 B9 N3 O P Zr
• SMILES: [Zr]12345([O]=P(N(C(C)C)C(C)C)([C]6782[CH]293[BH]3%104[BH]4%115[BH]516[BH]61%11[BH]%11%104[BH]493[BH]372[BH]856[BH]1%1143)C1c2ccccc2c2ccccc12)(N(C)C)N(C)C
• 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: 10.59 ± 0.003 Å
• b: 11.642 ± 0.003 Å
• c: 13.723 ± 0.004 Å
• α: 87.653 ± 0.004°
• β: 70.193 ± 0.003°
• γ: 83.505 ± 0.003°
• Cell volume: 1581.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No