Information card for entry 7105288

Structure parameters

• Formula: C54 H44 Ag N P4 S2
• Calculated formula: C54 H44 Ag N P4 S2
• SMILES: [Ag]12([S]=P(N=P(S1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1
• Title of publication: Brilliant reversible luminescent mechanochromism of silver(I) complexes containing o-bis(diphenylphosphino)benzene and phosphinesulfide.
• Authors of publication: Tsukuda, Toshiaki; Kawase, Marina; Dairiki, Ayumi; Matsumoto, Kenji; Tsubomura, Taro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 11
• Pages of publication: 1905 - 1907
• a: 19.6934 ± 0.001 Å
• b: 9.578 ± 0.0005 Å
• c: 25.6866 ± 0.0015 Å
• α: 90°
• β: 96.972 ± 0.001°
• γ: 90°
• Cell volume: 4809.3 ± 0.4 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123.1 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 all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.285
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No