Information card for entry 7020784

Structure parameters

• Formula: C25 H32 Cl6 Co3 F6 N10 O9 P
• Calculated formula: C25 H32 Cl6 Co3 F6 N10 O9 P
• SMILES: [O]12[Co]345(n6[n]([Co]72([n]2n([Co]1([O]=C(O7)C)(OC(=[O]4)C)([O]=C(O5)C)[n]1[nH]ccc1)ccc2)([O]=C(O3)C)[n]1[nH]ccc1)ccc6)[n]1[nH]ccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[P](F)(F)(F)(F)(F)[F-]
• 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: 9.9668 ± 0.0004 Å
• b: 35.7616 ± 0.0014 Å
• c: 12.1666 ± 0.0005 Å
• α: 90°
• β: 102.617 ± 0.0004°
• γ: 90°
• Cell volume: 4231.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No