Information card for entry 4350657

Structure parameters

• Formula: C92 H98 Cl4 Cu4 N2 O16 P4
• Calculated formula: C92 H98 Cl4 Cu4 N2 O16 P4
• Title of publication: Short-bite PNP ligand-supported rare tetranuclear [Cu4I4] clusters: structural and photoluminescence studies.
• Authors of publication: Naik, Susmita; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3864 - 3873
• a: 11.8854 ± 0.0003 Å
• b: 14.2961 ± 0.0004 Å
• c: 15.0486 ± 0.0004 Å
• α: 111.404 ± 0.002°
• β: 92.821 ± 0.002°
• γ: 100.448 ± 0.002°
• Cell volume: 2322.49 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0616
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No