Information card for entry 1572214

Structure parameters

• Formula: C30 H102 B60 Cu14 N6 O8 S12
• Calculated formula: C30 H102 B60 Cu14 N6 O8 S12
• Title of publication: Multicolor photoluminescence of Cu₁₄ clusters modulated using surface ligands.
• Authors of publication: Jana, Arijit; Duary, Subrata; Das, Amitabha; Kini, Amoghavarsha Ramachandra; Acharya, Swetashree; Machacek, Jan; Pathak, Biswarup; Base, Tomas; Pradeep, Thalappil
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 34
• Pages of publication: 13741 - 13752
• a: 19.5323 ± 0.0004 Å
• b: 19.5323 ± 0.0004 Å
• c: 29.2601 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9667.5 ± 0.3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No