Information card for entry 7020152

Structure parameters

• Formula: C12.75 H39 B20 Cu2 O12.75
• Calculated formula: C12.75 H39 B20 Cu2 O12.75
• Title of publication: Bottom-up synthesis of coordination polymers based on carborane backbones and Cu2(CO2)4 paddle-wheel: ligand metathesis with metallotecons.
• Authors of publication: Huang, Sheng-Li; Weng, Lin-Hong; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 38
• Pages of publication: 11657 - 11662
• a: 21.0039 ± 0.0014 Å
• b: 18.1673 ± 0.0012 Å
• c: 18.7689 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7161.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No