Information card for entry 8101596

Structure parameters

• Formula: C56 H40 N4 P2 Se4
• Calculated formula: C56 H40 N4 P2 Se4
• Title of publication: Crystal structure of bis-tetraphenylphosphonium 1,2,5,6-tetracyano- 3,4-diselena-hexadiene-1,6-diselenolate, [P(C~6~H~5~)~4~]~2~[Se~4~C~4~(CN)~4~]
• Authors of publication: Czado, Wolfgang; Müller, Ulrich
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 507 - 508
• a: 13.849 ± 0.004 Å
• b: 9.533 ± 0.003 Å
• c: 20.026 ± 0.005 Å
• α: 90°
• β: 101.56 ± 0.02°
• γ: 90°
• Cell volume: 2590.3 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1311
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No