Information card for entry 4350659

Structure parameters

• Formula: C46 H49 Cu2 I2 N O8 P2
• Calculated formula: C46 H49 Cu2 I2 N O8 P2
• 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: 16.5661 ± 0.0008 Å
• b: 15.816 ± 0.0006 Å
• c: 18.4637 ± 0.0009 Å
• α: 90°
• β: 91.059 ± 0.005°
• γ: 90°
• Cell volume: 4836.8 ± 0.4 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• 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: 0.1135
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No