Information card for entry 7042192

Structure parameters

• Formula: C40 H34 Cl Cu N2 P2
• Calculated formula: C40 H34 Cl Cu N2 P2
• SMILES: [Cu](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cccnc1
• Title of publication: Reversible luminescent colour changes of mononuclear copper(i) complexes based on ligand exchange reactions by N-heteroaromatic vapours.
• Authors of publication: Ohara, Hiroki; Ogawa, Tomohiro; Yoshida, Masaki; Kobayashi, Atsushi; Kato, Masako
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 3755 - 3760
• a: 11.456 ± 0.0014 Å
• b: 13.009 ± 0.0017 Å
• c: 13.566 ± 0.002 Å
• α: 78.89 ± 0.007°
• β: 68.086 ± 0.006°
• γ: 66.559 ± 0.006°
• Cell volume: 1718.6 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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 significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No