Information card for entry 7704023

Structure parameters

• Common name: 3sep
• Formula: C54 H40 Cu Fe2 N2 O2
• Calculated formula: C54 H40 Cu Fe2 N2 O2
• Title of publication: A ferrocene functionalized Schiff base containing Cu(ii) complex: synthesis, characterization and parts-per-million level catalysis for azide alkyne cycloaddition.
• Authors of publication: Gayen, Firdaus Rahaman; Ali, Abdul Aziz; Bora, Debashree; Roy, Saptarshi; Saha, Supriya; Saikia, Lakshi; Goswamee, Rajib Lochan; Saha, Biswajit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 6578 - 6586
• a: 10.0021 ± 0.0004 Å
• b: 12.9594 ± 0.0005 Å
• c: 15.1607 ± 0.0005 Å
• α: 90°
• β: 94.303 ± 0.001°
• γ: 90°
• Cell volume: 1959.61 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No