Information card for entry 8101432

Structure parameters

• Formula: C74 H63 Br Li N O4 P4
• Calculated formula: C74 H63 Br Li N O4 P4
• Title of publication: Crystal structure of tetrakis(triphenylphosphine oxide)lithium bromide‒ acetonitrile (1/1), Li(OP(C~6~H~5~)~3~)~4~Br · CH~3~CN
• 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: 1
• Pages of publication: 65 - 67
• a: 11.576 ± 0.0014 Å
• b: 23.581 ± 0.005 Å
• c: 23.23 ± 0.004 Å
• α: 90°
• β: 91.337 ± 0.013°
• γ: 90°
• Cell volume: 6339.6 ± 1.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• 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: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1168
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No