Information card for entry 7037228

Structure parameters

• Common name: dh_152b
• Chemical name: Complex 1
• Formula: C20 H34 Cl Co N8 O7 S
• Calculated formula: C20 H34 Cl Co N8 O7 S
• SMILES: C1(C(C)=[N]2CC[N]3=C(C(C)=N(=O)[Co]23(N=1=O)([n]1ccn(c1)C)[n]1ccn(c1)C)C)C.CS(C)=O.[O-]Cl(=O)(=O)=O
• 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: 6.8158 ± 0.0016 Å
• b: 12.78 ± 0.003 Å
• c: 15.038 ± 0.003 Å
• α: 90°
• β: 92.125 ± 0.014°
• γ: 90°
• Cell volume: 1309 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No