Information card for entry 1551682

Structure parameters

• Formula: C54 H44.68 Cu I N2 O6.34 P2 S2
• Calculated formula: C54 H44.68 Cu I N2 O6.34 P2 S2
• Title of publication: One-Dimensional Anionic Metal-Organic Chain Generated from (Tetraphenylphosphonium)2benzoquinonediiminedisulfonate and CuI
• Authors of publication: AKUTSU, Hiroki; YAMADA, Jun-ichi; NAKATSUJI, Shin'ichi; TURNER, Scott S.
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2013
• Journal volume: 29
• Journal issue: 0
• Pages of publication: 41
• a: 16.7521 ± 0.0019 Å
• b: 13.8506 ± 0.0016 Å
• c: 22.607 ± 0.003 Å
• α: 90°
• β: 97.146 ± 0.003°
• γ: 90°
• Cell volume: 5204.7 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 8
• 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: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No