Information card for entry 7033324

Structure parameters

• Common name: [Zn2(LClO-bdpa)Cl2]PF6.MeOH
• Formula: C33 H34 Cl3 F6 N6 O2 P Zn2
• Calculated formula: C33 H34 Cl3 F6 N6 O2 P Zn2
• SMILES: [Zn]123(Cl)[n]4c(C[N]3(Cc3c5[O]1[Zn]16(Cl)[n]7c(cccc7)C[N]6(Cc5cc(c3)Cl)Cc3cccc[n]13)Cc1cccc[n]21)cccc4.[P](F)(F)(F)(F)(F)[F-].CO
• 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: 12.1205 ± 0.0004 Å
• b: 24.9231 ± 0.0008 Å
• c: 12.2116 ± 0.0003 Å
• α: 90°
• β: 103.081 ± 0.002°
• γ: 90°
• Cell volume: 3593.16 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No