Information card for entry 7033320

Structure parameters

• Common name: [Co2(LClO-tmpa)(Cl2(MeOH/H2O)2]PF6
• Formula: C66 H72 Cl6 Co4 F12 N12 O6 P2
• Calculated formula: C66 H72 Cl6 Co4 F12 N12 O6 P2
• SMILES: [Co]123(Cl)([O]4[Co]56(Cl)([n]7ccccc7C[N]5(Cc5c4c(cc(Cl)c5)C[N]2(Cc2[n]1cccc2)Cc1[n]3cccc1)Cc1[n]6cccc1)[OH2])[OH2].[Co]123(Cl)([O]4[Co]56(Cl)([N](Cc7c4c(cc(Cl)c7)C[N]2(Cc2[n]1cccc2)Cc1[n]3cccc1)(Cc1[n]6cccc1)Cc1[n]5cccc1)[OH]C)[OH]C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Magnetic and structural properties of dinuclear singly bridged-phenoxido metal(ii) complexes.
• Authors of publication: Massoud, Salah S.; Spell, Mark; Ledet, Catherine C.; Junk, Thomas; Herchel, Radovan; Fischer, Roland C.; Trávníček, Zdeněk; Mautner, Franz A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2110 - 2121
• a: 10.7772 ± 0.001 Å
• b: 11.8843 ± 0.0011 Å
• c: 32.324 ± 0.003 Å
• α: 97.47 ± 0.006°
• β: 94.477 ± 0.006°
• γ: 106.833 ± 0.005°
• Cell volume: 3899.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.2168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No