Information card for entry 7113605

Structure parameters

• Formula: C30 H30 Cl2 Cu N6
• Calculated formula: C30 H30 Cl2 Cu N6
• SMILES: c1cccc[n]1[Cu]([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.c1ncccc1.[Cl-].c1ccccn1.[Cl-]
• Title of publication: Exo-metal coordination by a tricyclic [{P(μ-N-2-NC5H4)}2(μ-O)]2 dimer in [{P(μ-N-2-NC5H4)}2(μ-O)]2{CuCl·(C5H5N)2}4 {2-NC5H4 = 2-pyridyl, C5H5N = pyridine)
• Authors of publication: Bond, Andrew D.; Doyle, Emma L.; García, Felipe; Kowenicki, Richard A.; McPartlin, Mary; Riera, Lucía; Wright, Dominic S.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 2990 - 2991
• a: 11.8453 ± 0.0003 Å
• b: 14.2813 ± 0.0003 Å
• c: 16.8855 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2856.46 ± 0.13 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103907
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No