Information card for entry 7037255

Structure parameters

• Chemical name: [?u2(?-I)(?4-I)(?-P,N-(1-(pyridyl-2-yl)phospholane)]2
• Formula: C18 H24 Cu4 I4 N2 P2
• Calculated formula: C18 H24 Cu4 I4 N2 P2
• SMILES: c1cccc2[n]1[Cu]1345[I]67[Cu]891([I][Cu]1%1079[I]48[Cu]56%10([I]3)[P]3(c4cccc[n]14)CCCC3)[P]12CCCC1
• Title of publication: Synthesis of novel pyridyl containing phospholanes and their polynuclear luminescent copper(i) complexes.
• Authors of publication: Musina, E. I.; Shamsieva, A. V.; Strelnik, I. D.; Gerasimova, T. P.; Krivolapov, D. B.; Kolesnikov, I. E.; Grachova, E. V.; Tunik, S. P.; Bannwarth, C.; Grimme, S.; Katsyuba, S. A.; Karasik, A. A.; Sinyashin, O. G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 2250 - 2260
• a: 9.0224 ± 0.0008 Å
• b: 9.4377 ± 0.0008 Å
• c: 9.4869 ± 0.0008 Å
• α: 66.615 ± 0.001°
• β: 77.012 ± 0.001°
• γ: 64.39 ± 0.001°
• Cell volume: 667.24 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No