Information card for entry 2241290

Structure parameters

• Common name: [Cu3(C10H8N2O2)2(C10H6N2O2)(CH3OH)(OH)2(NO3)2]2
• Chemical name: Bis(μ~3~-bipyridine-2,2'-diolato-κ^3^<i>O</i>:<i>N</i>,<i>N</i>':<i>O</i>')tetrakis(6,6'-dihydroxybipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(μ-hydroxido-κ^2^<i>O</i>:<i>O</i>')bis(methanol-κ<i>O</i>)tetrakis(μ-nitrato-κ^2^<i>O</i>:<i>O</i>')hexacopper(II)
• Formula: C62 H56 Cu6 N16 O30
• Calculated formula: C62 H56 Cu6 N16 O30
• SMILES: c1(cccc2c3[n]([Cu]45([n]12)(Oc1[n]2c(ccc1)c1[n]6c(O[Cu]7([n]8c(O)cccc8c8[n]7c(O)ccc8)([OH][Cu]26(ON(=[O]5)=O)[OH]4)[OH]C)ccc1)ON(=O)=O)c(O)ccc3)O
• Title of publication: Crystal structures of bis- and hexakis[(6,6'-dihydroxybipyridine)copper(II)] nitrate coordination complexes
• Authors of publication: Gerlach, Deidra L.; Nieto, Ismael; Herbst-Gervasoni, Corey J.; Ferrence, Gregory M.; Zeller, Matthias; Papish, Elizabeth T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1447 - 1453
• a: 10.2135 ± 0.0007 Å
• b: 13.3707 ± 0.0008 Å
• c: 14.0565 ± 0.001 Å
• α: 64.591 ± 0.004°
• β: 75.659 ± 0.005°
• γ: 82.262 ± 0.005°
• Cell volume: 1679 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes