Information card for entry 7034501

Structure parameters

• Formula: C52 H46 Cu6 N12 O22
• Calculated formula: C52 H40 Cu6 N12 O22
• Title of publication: A one-dimensional coordination polymer based on Cu3-oximato metallacrowns bridged by benzene-1,4-dicarboxylato ligands: structure and magnetic properties.
• Authors of publication: Croitor, Lilia; Coropceanu, Eduard B.; Petuhov, Oleg; Krämer, Karl W; Baca, Svetlana G.; Liu, Shi-Xia; Decurtins, Silvio; Fonari, Marina S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 7896 - 7902
• a: 9.9884 ± 0.0011 Å
• b: 17.0223 ± 0.0011 Å
• c: 19.465 ± 0.002 Å
• α: 75.95 ± 0.008°
• β: 84.262 ± 0.009°
• γ: 80.032 ± 0.007°
• Cell volume: 3156.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1405
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No