Information card for entry 8101677

Structure parameters

• Chemical name: μ-2,2'-bipyrimidine-hexacarbonyl-bis(triphenyl-phosphine-dirhenium(I) bis(trifluormethanesulfonate) tetrakis(acetonitrile)
• Formula: C60 H48 F6 N8 O12 P2 Re2 S2
• Calculated formula: C60 H48 F6 N8 O12 P2 Re2 S2
• Title of publication: Crystal structure of μ-2,2'-bipyrimidine-hexacarbonyl-bis(triphenylphosphine) dirhenium(I) bis(trifluormethanesulfonate) acetonitrile tetrasolvate, [Re~2~(C~8~H~6~N~4~)(CO)~6~(C~18~H~15~P)~2~](F~3~CSO~3~)~2~ · 4CH~3~CN
• Authors of publication: B. Aechter; J. Knizek; H. Nöth; W. Beck
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 1
• Pages of publication: 110 - 112
• a: 12.98 Å
• b: 18.1165 ± 0.0002 Å
• c: 14.437 Å
• α: 90°
• β: 109.41°
• γ: 90°
• Cell volume: 3201.94 ± 0.04 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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 all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for all reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for all reflections: 1.158
• Goodness-of-fit parameter for significantly intense reflections: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No