Information card for entry 8101021

Structure parameters

• Formula: C17 H12 F3 N5 O6.5 Re S
• Calculated formula: C17 H12 F3 N5 O6.5 Re S
• Title of publication: Crystal structure of 2,2'-bipyrimidine-tricarbonyl-pyridine-rhenium (I) trifluoromethanesulfonate hemihydrate, (C~16~H~11~N~5~O~3~Re) (CF~3~O~3~S) · 0.5H~2~O
• Authors of publication: Aechter, Bernd; Polborn, Kurt; Beck, Wolfgang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 411 - 412
• a: 7.949 ± 0.002 Å
• b: 10.966 ± 0.003 Å
• c: 14.947 ± 0.002 Å
• α: 104.62 ± 0.02°
• β: 101.89 ± 0.02°
• γ: 93.47 ± 0.02°
• Cell volume: 1225 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0829
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No