Information card for entry 4325115

Structure parameters

• Formula: C138 H198 Cl2 Co2 Hf2 N10 Na2 O12 P6
• Calculated formula: C138 H198 Cl2 Co2 Hf2 N10 Na2 O12 P6
• SMILES: C(C)(C)N1[P](c2ccccc2)(c2ccccc2)[Co]2([P](N(C(C)C)[Hf]1(N([P]2(c1ccccc1)c1ccccc1)C(C)C)Cl)(c1ccccc1)c1ccccc1)[N]#[N][Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[N]#[N][Co]([P](c1ccccc1)(N1C(C)C)c2ccccc2)([P](c2ccccc2)(c2ccccc2)N2C(C)C)[P](c3ccccc3)(c3ccccc3)N(C(C)C)[Hf]12Cl.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1CCCO1.C1CCCO1
• Title of publication: Subtle Differences Between Zr and Hf in Early/Late Heterobimetallic Complexes with Cobalt
• Authors of publication: Vinay N. Setty; Wen Zhou; Bruce M. Foxman; Christine M. Thomas
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4647 - 4655
• a: 12.7902 ± 0.0008 Å
• b: 13.8837 ± 0.0008 Å
• c: 22.7745 ± 0.0014 Å
• α: 99.384 ± 0.003°
• β: 102.512 ± 0.003°
• γ: 100.827 ± 0.003°
• Cell volume: 3789.3 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for all reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No