Information card for entry 7713435

Structure parameters

• Formula: C68 H110 Cu2 N2 O22 P4 Sb4
• Calculated formula: C68 H110 Cu2 N2 O22 P4 Sb4
• Title of publication: Tunable bandgaps in self-assembled transition metal-incorporated heterometallic M₂Sb₄ (M = V, Mn, Co, Ni, and Cu) oxo clusters.
• Authors of publication: Navaneetha, Tokala; Ugandhar, Uppara; Samuel, Calvin; Guizouarn, Thierry; Pointillart, Fabrice; Raghunathan, Rajamani; Baskar, Viswanathan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 27
• Pages of publication: 9328 - 9336
• a: 12.8207 ± 0.0014 Å
• b: 13.3637 ± 0.0015 Å
• c: 13.7013 ± 0.0015 Å
• α: 99.588 ± 0.002°
• β: 93.106 ± 0.002°
• γ: 114.547 ± 0.002°
• Cell volume: 2085.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No