Information card for entry 7020785

Structure parameters

• Formula: C27 H38 Co3 F6 N10 O11 P
• Calculated formula: C27 H38 Co3 F6 N10 O11 P
• SMILES: [Co]1234([O]5[Co]6([O]=C(O[Co]5([O]=C(O1)C)(OC(=[O]2)C)(n1[n]6ccc1)[n]1[nH]ccc1)C)([O]=C(O3)C)(n1[n]4ccc1)[n]1[nH]ccc1)[n]1[nH]ccc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)OCC
• Title of publication: A synthetic strategy for a new series of oxo-centered tricobalt complexes with mixed bridging ligands of acetate and pyrazolate anions.
• Authors of publication: Yoshida, Jun; Kondo, Shohei; Yuge, Hidetaka
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2406 - 2413
• a: 8.7406 ± 0.0003 Å
• b: 28.1478 ± 0.001 Å
• c: 16.0824 ± 0.0006 Å
• α: 90°
• β: 92.7707 ± 0.0004°
• γ: 90°
• Cell volume: 3952.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No