Information card for entry 7101720

Structure parameters

• Common name: (Cu7(M)(m3-OH)2(m-OCH3)(HOCH3)2(H2O)(NO3)(N3)2)2(NO3)4 9H2O
• Formula: C78 H120 Cu14 N30 O51
• Calculated formula: C78 H90 Cu14 N26 O30
• Title of publication: A tetradecanuclear copper dimeric macrocyclic complex with a body-centred heptanuclear core-structure and magnetism.
• Authors of publication: Tandon, Santokh S; Bunge, Scott D; Thompson, Laurence K
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 8
• Pages of publication: 798 - 800
• a: 14.0485 ± 0.0012 Å
• b: 15.7647 ± 0.0014 Å
• c: 15.772 ± 0.002 Å
• α: 116.174 ± 0.002°
• β: 108.739 ± 0.002°
• γ: 98.205 ± 0.002°
• Cell volume: 2797.4 ± 0.5 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: 0.0746
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 0.744
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No