Information card for entry 4341529

Structure parameters

• Formula: C72 H64 Cu4 I4 N12
• Calculated formula: C72 H64 Cu4 I4 N12
• SMILES: [I]1[Cu]2(I)[I][Cu]12I.N1(C=CN2C1=[Cu]1[n]3c2ccc2ccc4ccc5N6C=CN(c7c(cc(cc7C)C)C)C6=[Cu]([n]5c4c32)=C2N(c3c(cc(cc3C)C)C)C=CN2c2nc3c(cc2)ccc2ccc(N4C=CN(c5c(cc(cc5C)C)C)C=14)nc32)c1c(cc(cc1C)C)C
• 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: 21.1152 ± 0.0017 Å
• b: 16.0855 ± 0.0008 Å
• c: 23.063 ± 0.002 Å
• α: 90°
• β: 115.245 ± 0.01°
• γ: 90°
• Cell volume: 7085.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No