Information card for entry 4341530

Structure parameters

• Formula: C72 H64 Cu3 F18 N12 P3
• Calculated formula: C72 H64 Cu3 F18 N12 P3
• SMILES: [Cu]1234[Cu]567[Cu]1(=C1N(c8ccc9ccc%10ccc(N%11C=5N(c5c(C)cc(C)cc5C)C=C%11)[n]3c%10c9[n]48)C=CN1c1c(C)cc(C)cc1C)=C1N(C=CN1c1c(C)cc(C)cc1C)c1ccc3ccc4ccc(N5C=2N(C=C5)c2c(C)cc(C)cc2C)[n]6c4c3[n]71.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Di-, tri-, and tetranuclear copper(i) complexes of phenanthroline-linked dicarbene ligands.
• Authors of publication: Liu, Bo; Pan, Shanfei; Liu, Bin; Chen, Wanzhi
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10485 - 10497
• a: 22.6608 ± 0.0011 Å
• b: 13.04 ± 0.0008 Å
• c: 25.3241 ± 0.0015 Å
• α: 90°
• β: 91.247 ± 0.004°
• γ: 90°
• Cell volume: 7481.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.2704
• Weighted residual factors for all reflections included in the refinement: 0.2872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No