Information card for entry 4340953

Structure parameters

• Formula: C104 H92 Br4 Cu4 P4
• Calculated formula: C104 H92 Br4 Cu4 P4
• SMILES: [Br]12[Cu]3([Br]4[Cu]1([Br]1[Cu]2([Br]3[Cu]41[p]1c(cc(c(c1c1c(c(ccc1)C)C)C)c1ccccc1)c1ccccc1)[p]1c(cc(c(c1c1c(c(ccc1)C)C)C)c1ccccc1)c1ccccc1)[p]1c(c(c(cc1c1ccccc1)c1ccccc1)C)c1c(c(ccc1)C)C)[p]1c(c(c(cc1c1ccccc1)c1ccccc1)C)c1c(c(ccc1)C)C
• Title of publication: Synthesis and photoluminescence properties of an unprecedented phosphinine-Cu₄Br₄ cluster.
• Authors of publication: Roesch, Philipp; Nitsch, Jörn; Lutz, Martin; Wiecko, Jelena; Steffen, Andreas; Müller, Christian
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 9855 - 9859
• a: 14.5603 ± 0.0002 Å
• b: 18.124 ± 0.0002 Å
• c: 19.7259 ± 0.0003 Å
• α: 88.6456 ± 0.0004°
• β: 85.9254 ± 0.0004°
• γ: 67.035 ± 0.0008°
• Cell volume: 4780.75 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0915
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No