Information card for entry 4350658

Structure parameters

• Formula: C92 H98 Br4 Cu4 N2 O16 P4
• Calculated formula: C92 H98 Br4 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: 16.6114 ± 0.0004 Å
• b: 17.5727 ± 0.0004 Å
• c: 32.0136 ± 0.0006 Å
• α: 90°
• β: 102.268 ± 0.002°
• γ: 90°
• Cell volume: 9131.6 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1251
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.766
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No