Information card for entry 7042191

Structure parameters

• Formula: C41 H36 Cl Cu N2 P2
• Calculated formula: C41 H36 Cl Cu N2 P2
• SMILES: [Cu](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cc(ncc1)C
• 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: 9.7116 ± 0.0013 Å
• b: 37.383 ± 0.005 Å
• c: 10.8691 ± 0.0015 Å
• α: 90°
• β: 115.945 ± 0.004°
• γ: 90°
• Cell volume: 3548.3 ± 0.8 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No