Information card for entry 7037237

Structure parameters

• Common name: dh3_29
• Chemical name: [(DO)2en(ImMe)2CoNa-15crown5][BPh4]2
• Formula: C76 H88 B2 Co N8 Na O7
• Calculated formula: C76 H88 B2 Co N8 Na O7
• SMILES: CC1C(C)=[N]2CC[N]3=C(C(C)=[N]4O[Na]6789([O]5CC[O]6CC[O]7CC[O]8CC[O]9CC5)O[N]=1[Co]234([n]1cn(cc1)C)[n]1cn(cc1)C)C.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 11.8905 ± 0.0014 Å
• b: 12.456 ± 0.0016 Å
• c: 13.6113 ± 0.0017 Å
• α: 72.344 ± 0.005°
• β: 66.193 ± 0.004°
• γ: 73.679 ± 0.004°
• Cell volume: 1728.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1308
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No