Information card for entry 7037232

Structure parameters

• Common name: dh2_73
• Chemical name: [(DO)2en(ImMe)2CoNa][PF6]2
• Formula: C18 H28 Co F12 N8 Na O2 P2
• Calculated formula: C18 H28 Co F12 N8 Na O2 P2
• SMILES: CC1C(C)=[N]2CC[N]3[Co]2([N]=1O1)([n]2ccn(c2)C)([n]2ccn(c2)C)[N](=C(C=3C)C)O[Na]123([F][P](F)(F)(F)(F)[F]2)[F][P](F)(F)(F)(F)[F]3
• Title of publication: A doubly deprotonated diimine dioximate metalloligand as a synthon for multimetallic complex assembly.
• Authors of publication: Henckel, Danielle A.; Lin, Yuting F.; McCormick, Theresa M.; Kaminsky, Werner; Cossairt, Brandi M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 10068 - 10075
• a: 8.6942 ± 0.0009 Å
• b: 22.063 ± 0.002 Å
• c: 14.9541 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2868.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No