Information card for entry 7219972

Structure parameters

• Formula: C297.58 H466 Cu24 N35.6 O172.7
• Calculated formula: C273.58 H96 Cu24 N27.6 O144.7
• Title of publication: Mother structures related to the hexagonal and cubic close packing in Cu24clusters: solvent-influenced derivatives
• Authors of publication: Amayuelas, Eder; Fidalgo-Marijuan, Arkaitz; Barandika, Gotzone; Bazán, Begoña; Urtiaga, Miren-Karmele; Arriortua, María Isabel
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 17
• Pages of publication: 3297
• a: 24.4797 ± 0.0003 Å
• b: 24.5938 ± 0.0003 Å
• c: 25.2374 ± 0.0003 Å
• α: 118.436 ± 0.001°
• β: 111.969 ± 0.001°
• γ: 94.229 ± 0.001°
• Cell volume: 11784.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0975
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2564
• Weighted residual factors for all reflections included in the refinement: 0.2744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No