Information card for entry 7059922

Structure parameters

• Formula: C76.5 H59 Cl0.75 Cu4 N4 O8
• Calculated formula: C76.5 H59 Cl0.75 Cu4 N4 O8
• Title of publication: Chiral tetranuclear copper(ii) complexes: synthesis, optical and magnetic properties
• Authors of publication: Ahmed, Naushad; Tripathi, Shalini; Sarkar, Arup; Ansari, Kamal Uddin; Das, Chinmoy; Prajesh, Neetu; Horike, Satoshi; Boomishankar, Ramamoorthy; Shanmugam, Maheswaran
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 16845 - 16855
• a: 21.87 ± 0.004 Å
• b: 13.09 ± 0.003 Å
• c: 23.56 ± 0.005 Å
• α: 90°
• β: 90.14 ± 0.03°
• γ: 90°
• Cell volume: 6745 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No