Information card for entry 4075170

Structure parameters

• Formula: C36 H66 B10 Hf N3 O2 P
• Calculated formula: C36 H66 B10 Hf N3 O2 P
• SMILES: [Hf]1(OP(N(C(C)C)C(C)C)([C]2345[C]6781[BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132)=C1C=Cc2ccccc12)([O]1CCCC1)(N(CC)CC)N(CC)CC.c1(ccccc1)C
• Title of publication: Pentavalent vs Trivalent Phosphorus-Bridged Ligands. Synthesis and Structural Characterization of Unexpected Group 4 Metal Complexes Incorporating an Indenylide Unit, [σ:σ-iPr2NP(O)(C9H6)(C2B10H10)]M(NR2)2
• Authors of publication: Wang, Hong; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2569
• a: 11.275 ± 0.002 Å
• b: 21.105 ± 0.004 Å
• c: 18.833 ± 0.004 Å
• α: 90°
• β: 93.21 ± 0.03°
• γ: 90°
• Cell volume: 4474.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1429
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No